smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c1 ZINC000877466777 1166043319 /nfs/dbraw/zinc/04/33/19/1166043319.db2.gz QKVOJKCHSUIGHR-NJZAAPMLSA-N 1 0 274.364 1.786 20 10 CDCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N)cc1 ZINC001120677812 912323557 /nfs/dbraw/zinc/32/35/57/912323557.db2.gz XIPXWTTXWMINEX-SWLSCSKDSA-N 1 0 290.411 1.750 20 10 CDCDRO CCSC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001173283962 912411433 /nfs/dbraw/zinc/41/14/33/912411433.db2.gz AXNYOTGMWNYEAI-ZANVPECISA-N 1 0 271.382 1.862 20 10 CDCDRO CCN1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001173352530 912447306 /nfs/dbraw/zinc/44/73/06/912447306.db2.gz PBUSZAQWPWSLIV-LLVKDONJSA-N 1 0 266.341 1.030 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@H]1O ZINC001233483459 912825791 /nfs/dbraw/zinc/82/57/91/912825791.db2.gz ZWODMHXQDHMHLW-MWLCHTKSSA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cccc(Cl)c1C[N@H+]1CCc2nncn2CC1 ZINC001140337778 895817320 /nfs/dbraw/zinc/81/73/20/895817320.db2.gz DRPOHPKCCDQFQF-UHFFFAOYSA-N 1 0 278.743 1.695 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001236022680 914552811 /nfs/dbraw/zinc/55/28/11/914552811.db2.gz AMOIVBDXNKULGH-UFBFGSQYSA-N 1 0 254.717 1.284 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001179687057 915927189 /nfs/dbraw/zinc/92/71/89/915927189.db2.gz MBKXMEZUTAPOSW-KMOQFTEPSA-N 1 0 274.320 1.028 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c1 ZINC001206432423 916619838 /nfs/dbraw/zinc/61/98/38/916619838.db2.gz BWNAIYSSRYCZJS-NEPJUHHUSA-N 1 0 267.348 1.329 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(C(=O)[O-])cc1O ZINC001236871138 916997899 /nfs/dbraw/zinc/99/78/99/916997899.db2.gz XSDJHHQUKGKKCX-NSHDSACASA-N 1 0 252.314 1.260 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@](C)(O)C2)c1O ZINC001237682116 917550326 /nfs/dbraw/zinc/55/03/26/917550326.db2.gz ZDCIYVBPHSUHFW-AWEZNQCLSA-N 1 0 285.771 1.937 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)CCc1ccc(O)c(O)c1 ZINC001182154543 917692702 /nfs/dbraw/zinc/69/27/02/917692702.db2.gz INUZTWVXTFIQBF-UHFFFAOYSA-N 1 0 292.379 1.585 20 10 CDCDRO CN1CCOc2cc(CN3CC(C)(C[NH3+])C3)ccc21 ZINC001206723299 936483546 /nfs/dbraw/zinc/48/35/46/936483546.db2.gz NYMCANZDUOQBLQ-UHFFFAOYSA-N 1 0 261.369 1.296 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H]3C(N)=O)ccc21 ZINC001138354053 936525047 /nfs/dbraw/zinc/52/50/47/936525047.db2.gz SSBGYXAGQSRVSE-HNNXBMFYSA-N 1 0 273.380 1.519 20 10 CDCDRO CC(=O)NC1CN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358092 936525924 /nfs/dbraw/zinc/52/59/24/936525924.db2.gz MDIHIPJTVBZDII-UHFFFAOYSA-N 1 0 273.380 1.389 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001138468926 936539683 /nfs/dbraw/zinc/53/96/83/936539683.db2.gz HNYYCQTVWAACOC-UHFFFAOYSA-N 1 0 289.335 1.924 20 10 CDCDRO [NH3+]CC1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001205054124 922147158 /nfs/dbraw/zinc/14/71/58/922147158.db2.gz XPGHSZQZOWSLQS-UHFFFAOYSA-N 1 0 256.296 1.841 20 10 CDCDRO C[C@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660481 936736520 /nfs/dbraw/zinc/73/65/20/936736520.db2.gz SXQYAXPYPPCLAJ-INIZCTEOSA-N 1 0 294.370 1.619 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140741833 936748121 /nfs/dbraw/zinc/74/81/21/936748121.db2.gz DHYGJMOZZFLREX-LBPRGKRZSA-N 1 0 279.336 1.791 20 10 CDCDRO COc1cc(O)c(CN2CCC[N@H+](C)CC2)c(OC)c1 ZINC001141031734 936795554 /nfs/dbraw/zinc/79/55/54/936795554.db2.gz JCDVZQJBYAGPRJ-UHFFFAOYSA-N 1 0 280.368 1.547 20 10 CDCDRO COC(=O)[C@]1(F)CCN(Cc2cc(O)ccc2O)C1 ZINC001141156670 936821355 /nfs/dbraw/zinc/82/13/55/936821355.db2.gz QDGGPEIINZRTDY-ZDUSSCGKSA-N 1 0 269.272 1.185 20 10 CDCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(O)ccc3O)C[C@H]2C1 ZINC001141162595 936823867 /nfs/dbraw/zinc/82/38/67/936823867.db2.gz WRSPDIQWWCWEOI-ZIAGYGMSSA-N 1 0 276.380 1.871 20 10 CDCDRO C=CS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001198644509 925489161 /nfs/dbraw/zinc/48/91/61/925489161.db2.gz XOFJKSYRJDRYMI-UHFFFAOYSA-N 1 0 296.392 1.420 20 10 CDCDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000850509405 927438770 /nfs/dbraw/zinc/43/87/70/927438770.db2.gz PPFATYCEVFCJDJ-YWVDXFKGSA-N 1 0 294.370 1.861 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCN2CC[C@H](O)C2)cc1C ZINC000858338485 928842659 /nfs/dbraw/zinc/84/26/59/928842659.db2.gz HVGISBSXZDXQIY-AWEZNQCLSA-N 1 0 264.369 1.165 20 10 CDCDRO Oc1ccc(CNc2cnc3c(c2)C[NH2+]CC3)cc1O ZINC001169994907 928900708 /nfs/dbraw/zinc/90/07/08/928900708.db2.gz LQMSCQIBTPAUMQ-UHFFFAOYSA-N 1 0 271.320 1.751 20 10 CDCDRO COCCOCN1CC2(C1)C[NH+](Cc1ccccc1O)C2 ZINC001275267810 931718788 /nfs/dbraw/zinc/71/87/88/931718788.db2.gz XTSVXCURTIYTSI-UHFFFAOYSA-N 1 0 292.379 1.130 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(CCOC3)CC2)c(O)c1 ZINC001144500601 931860308 /nfs/dbraw/zinc/86/03/08/931860308.db2.gz WKQSREHCZXSYDA-UHFFFAOYSA-N 1 0 279.336 1.806 20 10 CDCDRO COC(=O)CC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144504092 931864693 /nfs/dbraw/zinc/86/46/93/931864693.db2.gz LJSSHKIXGNDTLT-UHFFFAOYSA-N 1 0 295.335 1.579 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@]1(C)O ZINC001144504373 931865238 /nfs/dbraw/zinc/86/52/38/931865238.db2.gz RHLFCZIEIBPQAH-BMIGLBTASA-N 1 0 281.352 1.786 20 10 CDCDRO CC(C)O[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515674 931881018 /nfs/dbraw/zinc/88/10/18/931881018.db2.gz VBYVBYFHDSZQKH-LLVKDONJSA-N 1 0 267.325 1.803 20 10 CDCDRO Oc1ccc(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c(O)c1 ZINC001275952551 932163242 /nfs/dbraw/zinc/16/32/42/932163242.db2.gz HJRGPTOFNVCHTP-UHFFFAOYSA-N 1 0 299.374 1.744 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001275965976 932175080 /nfs/dbraw/zinc/17/50/80/932175080.db2.gz WSNAVBXEPRFDEB-OKILXGFUSA-N 1 0 276.380 1.524 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC001148225062 932674370 /nfs/dbraw/zinc/67/43/70/932674370.db2.gz CUYGALHDZJLCNT-AAEUAGOBSA-N 1 0 292.379 1.946 20 10 CDCDRO [NH3+]C[C@@]1(F)CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC001157765722 938543026 /nfs/dbraw/zinc/54/30/26/938543026.db2.gz UTAYBTARQRCSBS-CQSZACIVSA-N 1 0 282.315 1.391 20 10 CDCDRO Nc1ccc(Nc2nccnc2N2CC[NH2+]CC2)cc1 ZINC001159176457 938708975 /nfs/dbraw/zinc/70/89/75/938708975.db2.gz RGOIQCYLZRIXHT-UHFFFAOYSA-N 1 0 270.340 1.212 20 10 CDCDRO [NH3+]CCN(CCO)c1ccc(OCC(F)(F)F)cc1 ZINC001163837223 939340125 /nfs/dbraw/zinc/34/01/25/939340125.db2.gz VPEUXLLNIUFFDT-UHFFFAOYSA-N 1 0 278.274 1.385 20 10 CDCDRO [NH3+][C@@H]1CCN(c2cc3c(cc2Br)CNC3=O)C1 ZINC001164289480 939447776 /nfs/dbraw/zinc/44/77/76/939447776.db2.gz XTCRIQJXWWBJQV-MRVPVSSYSA-N 1 0 296.168 1.230 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1O ZINC001203584361 939694212 /nfs/dbraw/zinc/69/42/12/939694212.db2.gz AAJOLTGTKAAZQF-NWDGAFQWSA-N 1 0 269.316 1.696 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1O ZINC001203610174 939695825 /nfs/dbraw/zinc/69/58/25/939695825.db2.gz XUNAFSKOIJPFJI-OLZOCXBDSA-N 1 0 290.363 1.311 20 10 CDCDRO COc1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001203621220 939697038 /nfs/dbraw/zinc/69/70/38/939697038.db2.gz PTJPSUPYYJBYEW-CQSZACIVSA-N 1 0 292.379 1.307 20 10 CDCDRO COCCC[NH+]1CCN(Cc2ccc(OC)cc2O)CC1 ZINC001203627497 939697921 /nfs/dbraw/zinc/69/79/21/939697921.db2.gz HASACAXQQDAMTP-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CC12CC2 ZINC001203635388 939698916 /nfs/dbraw/zinc/69/89/16/939698916.db2.gz RYNPDLSLPIMOOC-CYBMUJFWSA-N 1 0 291.347 1.786 20 10 CDCDRO C[N@H+](Cc1ccc(O)cc1O)[C@H]1CCC2(C1)OCCO2 ZINC001204277356 939750717 /nfs/dbraw/zinc/75/07/17/939750717.db2.gz BFLAXITWUWZSQZ-LBPRGKRZSA-N 1 0 279.336 1.825 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@@]1(C)O ZINC001204276539 939751348 /nfs/dbraw/zinc/75/13/48/939751348.db2.gz MMIXXIWHJZEIBC-QMTHXVAHSA-N 1 0 251.326 1.691 20 10 CDCDRO C[N@H+](CCC1OCCO1)Cc1ccc(O)cc1O ZINC001204278676 939751417 /nfs/dbraw/zinc/75/14/17/939751417.db2.gz HWXNEQVTXPMNNQ-UHFFFAOYSA-N 1 0 253.298 1.293 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204327039 939756489 /nfs/dbraw/zinc/75/64/89/939756489.db2.gz MAZHDTNQASSRNL-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO [NH3+][C@H]1CN(Cc2cccc(C(F)(F)F)c2O)C[C@H]1F ZINC001204836947 939796982 /nfs/dbraw/zinc/79/69/82/939796982.db2.gz NRSSFTHRGCHQRE-ZJUUUORDSA-N 1 0 278.249 1.892 20 10 CDCDRO [NH3+]CC1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205047171 939818347 /nfs/dbraw/zinc/81/83/47/939818347.db2.gz PWHADWBWMSIFQT-UHFFFAOYSA-N 1 0 264.325 1.261 20 10 CDCDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001205241286 939841212 /nfs/dbraw/zinc/84/12/12/939841212.db2.gz SJWQGBZTICFOIK-AWEZNQCLSA-N 1 0 286.322 1.346 20 10 CDCDRO CC(C)(C)c1ccc(O)c(CN2C[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205363297 939886122 /nfs/dbraw/zinc/88/61/22/939886122.db2.gz KRHGZXSHVYKWEO-TZMCWYRMSA-N 1 0 264.369 1.194 20 10 CDCDRO Cc1cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001206087265 939978156 /nfs/dbraw/zinc/97/81/56/939978156.db2.gz PBTWSUKMJOHHEV-QZTJIDSGSA-N 1 0 299.418 1.988 20 10 CDCDRO CN(c1ccc2c(c1)CCNC2=O)c1cc(N)cc[nH+]1 ZINC001210163217 940668156 /nfs/dbraw/zinc/66/81/56/940668156.db2.gz XRMFKRZNKHMALF-UHFFFAOYSA-N 1 0 268.320 1.718 20 10 CDCDRO CN1CCCc2cc(CN3CC[C@](C)([NH3+])C3)ccc21 ZINC000405788713 940997895 /nfs/dbraw/zinc/99/78/95/940997895.db2.gz FCMKLZHOKFRSOA-INIZCTEOSA-N 1 0 259.397 1.992 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000190059456 941346226 /nfs/dbraw/zinc/34/62/26/941346226.db2.gz NPCMFAJIIIHOTE-GWCFXTLKSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1ccc(N2CC3(CCN3CC[NH+](C)C)C2)cc1 ZINC001276926157 941703416 /nfs/dbraw/zinc/70/34/16/941703416.db2.gz BMTFACYPXYLIIR-UHFFFAOYSA-N 1 0 275.396 1.521 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)cc1 ZINC001276958286 941731666 /nfs/dbraw/zinc/73/16/66/941731666.db2.gz IPWGQVVAHAMTEN-OAHLLOKOSA-N 1 0 287.407 1.840 20 10 CDCDRO NC(=O)[C@H]1CC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001277458854 942633298 /nfs/dbraw/zinc/63/32/98/942633298.db2.gz XMXSHUSIKKNKLG-SNVBAGLBSA-N 1 0 266.728 1.353 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1O ZINC001231586157 942935898 /nfs/dbraw/zinc/93/58/98/942935898.db2.gz CGOZMEVPLZVLCD-WBMJQRKESA-N 1 0 273.332 1.330 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)c(O)cc1O ZINC001231635334 942947326 /nfs/dbraw/zinc/94/73/26/942947326.db2.gz WSPYWVIUSIQZKH-SNVBAGLBSA-N 1 0 253.298 1.063 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)cc1O ZINC001231634420 942949677 /nfs/dbraw/zinc/94/96/77/942949677.db2.gz MROOQBFSPMJQIB-OAHLLOKOSA-N 1 0 299.342 1.793 20 10 CDCDRO COc1cc(C[N@H+](C)[C@@H]2CCCOC2)c(O)cc1O ZINC001231641069 942955993 /nfs/dbraw/zinc/95/59/93/942955993.db2.gz YSRZGLQHSNHKNK-LLVKDONJSA-N 1 0 267.325 1.717 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231854313 943030238 /nfs/dbraw/zinc/03/02/38/943030238.db2.gz CKNVYGFJDLYFEX-UHFFFAOYSA-N 1 0 280.368 1.756 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@](C)(O)C2)cc1Cl ZINC001231866770 943037196 /nfs/dbraw/zinc/03/71/96/943037196.db2.gz DRRDELLVPRTLFV-CQSZACIVSA-N 1 0 285.771 1.937 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC001231879859 943037851 /nfs/dbraw/zinc/03/78/51/943037851.db2.gz SGUJTWMXISRTSU-HOCLYGCPSA-N 1 0 287.359 1.721 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c(O)c1 ZINC001232841189 943417563 /nfs/dbraw/zinc/41/75/63/943417563.db2.gz XGFYNHWAYGFBFR-CZUORRHYSA-N 1 0 289.423 1.984 20 10 CDCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233017456 943465062 /nfs/dbraw/zinc/46/50/62/943465062.db2.gz WHXYBIIURRHAKA-LBPRGKRZSA-N 1 0 280.368 1.720 20 10 CDCDRO C[NH+](C)C1(C)CN(Cc2c(O)ccc(F)c2F)C1 ZINC001233335388 943547682 /nfs/dbraw/zinc/54/76/82/943547682.db2.gz SQBANIFEBIKUDV-UHFFFAOYSA-N 1 0 256.296 1.806 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1O ZINC001233485802 943594512 /nfs/dbraw/zinc/59/45/12/943594512.db2.gz LCJZSMCWIGYHPH-LLVKDONJSA-N 1 0 290.323 1.232 20 10 CDCDRO C[C@@H](CC(=O)NCc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001263303725 943823253 /nfs/dbraw/zinc/82/32/53/943823253.db2.gz GGMAREPVXSKIQJ-GXTWGEPZSA-N 1 0 275.396 1.911 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001236168211 944419635 /nfs/dbraw/zinc/41/96/35/944419635.db2.gz GODCJHUIROAFGM-CQSZACIVSA-N 1 0 287.407 1.624 20 10 CDCDRO COc1ccc(N2CCN(C[C@H](C)[NH3+])CC2)c(OC)c1 ZINC001236410809 944491979 /nfs/dbraw/zinc/49/19/79/944491979.db2.gz KNFGHBMYDYGMPW-LBPRGKRZSA-N 1 0 279.384 1.173 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001236801900 944573896 /nfs/dbraw/zinc/57/38/96/944573896.db2.gz DTQLCGLEZZSBEW-MRVPVSSYSA-N 1 0 284.743 1.361 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c(O)c1 ZINC001236815323 944577734 /nfs/dbraw/zinc/57/77/34/944577734.db2.gz JMRJVFWOPROTAA-CYBMUJFWSA-N 1 0 292.379 1.762 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1 ZINC001237050142 944646618 /nfs/dbraw/zinc/64/66/18/944646618.db2.gz QFVHKPVOGDIGIZ-OAHLLOKOSA-N 1 0 281.352 1.374 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CC1 ZINC001237201816 944691144 /nfs/dbraw/zinc/69/11/44/944691144.db2.gz BUCWCHIRYWYXNJ-UHFFFAOYSA-N 1 0 294.420 1.516 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677567 944921552 /nfs/dbraw/zinc/92/15/52/944921552.db2.gz DZCKKFOKQRYURD-AAEUAGOBSA-N 1 0 293.363 1.878 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001237681018 944923786 /nfs/dbraw/zinc/92/37/86/944923786.db2.gz KJLXFBWHYTULFT-DZGCQCFKSA-N 1 0 299.798 1.919 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCSC2)cc1O ZINC001255267788 947796088 /nfs/dbraw/zinc/79/60/88/947796088.db2.gz RCFCPJKRTDOMGL-JOYOIKCWSA-N 1 0 255.339 1.226 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+]C2CCN(C3CC3)CC2)cc1O ZINC001256065893 948192510 /nfs/dbraw/zinc/19/25/10/948192510.db2.gz IHLPFTCKKYMTAC-MRXNPFEDSA-N 1 0 292.379 1.348 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCCSC2)cc1O ZINC001257659866 948619020 /nfs/dbraw/zinc/61/90/20/948619020.db2.gz QGMQEHDQWPOYSK-JTQLQIEISA-N 1 0 269.366 1.831 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC(=O)CC2)c(O)c1 ZINC001249179006 949440967 /nfs/dbraw/zinc/44/09/67/949440967.db2.gz YCHKWMIMLUWQGJ-UHFFFAOYSA-N 1 0 291.347 1.663 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+]C[C@H](O)c2ccccc2)cc1O ZINC001251977086 951019549 /nfs/dbraw/zinc/01/95/49/951019549.db2.gz UQMPACHYDWZBRX-JKSUJKDBSA-N 1 0 289.331 1.454 20 10 CDCDRO CCOC[C@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252049007 951100227 /nfs/dbraw/zinc/10/02/27/951100227.db2.gz INDQQPRHNVOTTL-GFCCVEGCSA-N 1 0 253.342 1.496 20 10 CDCDRO CC(C)(C)OC[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253472088 951923749 /nfs/dbraw/zinc/92/37/49/951923749.db2.gz PTDPYZVBFPCTMI-GFCCVEGCSA-N 1 0 283.368 1.406 20 10 CDCDRO [NH3+]CCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001327486765 954902250 /nfs/dbraw/zinc/90/22/50/954902250.db2.gz NQVQWBSZFLONRF-UHFFFAOYSA-N 1 0 291.395 1.809 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1cc(O)ccc1O ZINC001303223136 956065758 /nfs/dbraw/zinc/06/57/58/956065758.db2.gz BQFCKQYYPOMDNT-UHFFFAOYSA-N 1 0 252.314 1.056 20 10 CDCDRO COC(=O)N1CC([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308704717 956562638 /nfs/dbraw/zinc/56/26/38/956562638.db2.gz PKIFKCBVIJQPLX-UHFFFAOYSA-N 1 0 270.716 1.586 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H](CO)CC(F)(F)F ZINC001331961664 957365128 /nfs/dbraw/zinc/36/51/28/957365128.db2.gz YMYODRLDLMPCPG-QMMMGPOBSA-N 1 0 279.258 1.804 20 10 CDCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335736507 960000075 /nfs/dbraw/zinc/00/00/75/960000075.db2.gz BMOPAKKIDDGOFS-OAHLLOKOSA-N 1 0 290.411 1.895 20 10 CDCDRO [NH3+]Cc1nccnc1NCc1ccc(N2CCOCC2)cc1 ZINC001336476957 960362403 /nfs/dbraw/zinc/36/24/03/960362403.db2.gz NRFUEPIPRDJUKR-UHFFFAOYSA-N 1 0 299.378 1.384 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C12CC(C1)C[NH2+]2 ZINC001341714686 963520250 /nfs/dbraw/zinc/52/02/50/963520250.db2.gz OTNVUGAMBIUOOA-UHFFFAOYSA-N 1 0 273.380 1.429 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[NH3+])c1 ZINC001345481639 964722515 /nfs/dbraw/zinc/72/25/15/964722515.db2.gz FNIBYDMLYLZFCG-SNVBAGLBSA-N 1 0 266.341 1.568 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC001356083421 969328460 /nfs/dbraw/zinc/32/84/60/969328460.db2.gz PHUREICCQDYEPS-INIZCTEOSA-N 1 0 275.396 1.565 20 10 CDCDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(C)ccc1O ZINC000217853035 398207484 /nfs/dbraw/zinc/20/74/84/398207484.db2.gz TYXUEXMCBKXBCZ-ZDUSSCGKSA-N 1 0 255.383 1.904 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000092189095 342407617 /nfs/dbraw/zinc/40/76/17/342407617.db2.gz SUOQLLVDLHHTLL-CQSZACIVSA-N 1 0 289.379 1.690 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000295094068 199341480 /nfs/dbraw/zinc/34/14/80/199341480.db2.gz JOPFGJKZDZRRTG-INIZCTEOSA-N 1 0 291.439 1.689 20 10 CDCDRO CC(C)[C@H]1C(=O)NCCN1Cc1cc(F)ccc1O ZINC000180070423 357241033 /nfs/dbraw/zinc/24/10/33/357241033.db2.gz JUBUDINVEZWAEM-ZDUSSCGKSA-N 1 0 266.316 1.488 20 10 CDCDRO Cc1cc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)ccc1N(C)C ZINC000294417011 199032207 /nfs/dbraw/zinc/03/22/07/199032207.db2.gz DGJQNRKAFOSQGF-KGLIPLIRSA-N 1 0 280.412 1.625 20 10 CDCDRO C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000191221108 358121248 /nfs/dbraw/zinc/12/12/48/358121248.db2.gz XBLUSLKKYPXWBX-QWHCGFSZSA-N 1 0 266.385 1.316 20 10 CDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000192805193 358238196 /nfs/dbraw/zinc/23/81/96/358238196.db2.gz OXPIJWPPFZOZKK-HUUCEWRRSA-N 1 0 291.439 1.640 20 10 CDCDRO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@H](O)C1 ZINC000294823772 199199826 /nfs/dbraw/zinc/19/98/26/199199826.db2.gz PDMSXMYKBUIBGH-SECBINFHSA-N 1 0 257.717 1.239 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1O ZINC000113350571 359395560 /nfs/dbraw/zinc/39/55/60/359395560.db2.gz GDLNTAUBHWPOCT-JTQLQIEISA-N 1 0 257.355 1.305 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H](OC)C2CC2)cc1OC ZINC000293562539 370689625 /nfs/dbraw/zinc/68/96/25/370689625.db2.gz GFFLQHDSCQVCHH-OAHLLOKOSA-N 1 0 281.352 1.924 20 10 CDCDRO C[C@@H]([NH2+]CCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000268698110 364080507 /nfs/dbraw/zinc/08/05/07/364080507.db2.gz DCRRQOYEHOZWNO-GFCCVEGCSA-N 1 0 282.359 1.695 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCOC2)cc1C ZINC000269974742 364407968 /nfs/dbraw/zinc/40/79/68/364407968.db2.gz LTGRBPYJJIEKLB-CQSZACIVSA-N 1 0 251.326 1.250 20 10 CDCDRO C[C@@H]([NH2+]CCCOCCO)c1ccc(N(C)C)cc1 ZINC000180242154 365004299 /nfs/dbraw/zinc/00/42/99/365004299.db2.gz ISADAMCZSNOBQM-CYBMUJFWSA-N 1 0 266.385 1.802 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000271732872 364996617 /nfs/dbraw/zinc/99/66/17/364996617.db2.gz NOPWDCBSDPZZJP-SNVBAGLBSA-N 1 0 265.309 1.396 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NCCF)c1 ZINC000282652768 367976888 /nfs/dbraw/zinc/97/68/88/367976888.db2.gz LIPXEXVWPSCBQE-JTQLQIEISA-N 1 0 284.331 1.355 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2)c(O)c1 ZINC000530228162 368151569 /nfs/dbraw/zinc/15/15/69/368151569.db2.gz YCUHKWLPBQQEPF-NEPJUHHUSA-N 1 0 250.342 1.340 20 10 CDCDRO Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)ccc1N(C)C ZINC000292882376 370429627 /nfs/dbraw/zinc/42/96/27/370429627.db2.gz UGMIEFRCQCYMGK-AWEZNQCLSA-N 1 0 288.395 1.270 20 10 CDCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000294707247 371085920 /nfs/dbraw/zinc/08/59/20/371085920.db2.gz BDXBLQKYWKCJQA-BXUZGUMPSA-N 1 0 261.369 1.316 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000294819498 371093472 /nfs/dbraw/zinc/09/34/72/371093472.db2.gz GOUCDIPPWYHJCG-JTQLQIEISA-N 1 0 296.342 1.841 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)c1O ZINC000294019485 371351509 /nfs/dbraw/zinc/35/15/09/371351509.db2.gz UUPYCMWZOYQOHH-JQWIXIFHSA-N 1 0 269.366 1.366 20 10 CDCDRO NC(=O)CC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000297297742 371979553 /nfs/dbraw/zinc/97/95/53/371979553.db2.gz BGZWEHXOUCSQDA-UHFFFAOYSA-N 1 0 287.407 1.984 20 10 CDCDRO Cc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)ccc1N(C)C ZINC000293023008 291890875 /nfs/dbraw/zinc/89/08/75/291890875.db2.gz IJOYEQQMNIMJRR-INIZCTEOSA-N 1 0 291.439 1.823 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC000179468646 391206597 /nfs/dbraw/zinc/20/65/97/391206597.db2.gz JEQRBJNJVCBRCW-ZDUSSCGKSA-N 1 0 288.351 1.829 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000375957539 391207928 /nfs/dbraw/zinc/20/79/28/391207928.db2.gz LUMJARIYMBKUEM-KRWDZBQOSA-N 1 0 295.386 1.815 20 10 CDCDRO Cn1cnnc1[C@@H]1CCCN1Cc1ccccc1O ZINC000179582788 391213124 /nfs/dbraw/zinc/21/31/24/391213124.db2.gz TWMGWPLEMTZZBA-LBPRGKRZSA-N 1 0 258.325 1.858 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000183516242 391265507 /nfs/dbraw/zinc/26/55/07/391265507.db2.gz ABVFVJWWPODVMB-BXUZGUMPSA-N 1 0 253.342 1.830 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000183516228 391266205 /nfs/dbraw/zinc/26/62/05/391266205.db2.gz ABVFVJWWPODVMB-SMDDNHRTSA-N 1 0 253.342 1.830 20 10 CDCDRO COc1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1C ZINC000228722752 393234194 /nfs/dbraw/zinc/23/41/94/393234194.db2.gz CWTJIZKNASKZOP-HNNXBMFYSA-N 1 0 266.385 1.406 20 10 CDCDRO c1cc(C[NH2+]CCCN2CCOCC2)cc2c1OCC2 ZINC000037362847 260095108 /nfs/dbraw/zinc/09/51/08/260095108.db2.gz HBQMBVLVKLMGFV-UHFFFAOYSA-N 1 0 276.380 1.433 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186203490 262084399 /nfs/dbraw/zinc/08/43/99/262084399.db2.gz ANBAXSPDMFCXHQ-ONGXEEELSA-N 1 0 257.305 1.579 20 10 CDCDRO CC1CC[NH+](CCNC(=O)c2cccc(O)c2O)CC1 ZINC000186935709 262117448 /nfs/dbraw/zinc/11/74/48/262117448.db2.gz PFRIWQCULOGYMQ-UHFFFAOYSA-N 1 0 278.352 1.560 20 10 CDCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185468088 262305288 /nfs/dbraw/zinc/30/52/88/262305288.db2.gz PSTPIJNVSOWHDJ-YGRLFVJLSA-N 1 0 271.332 1.969 20 10 CDCDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1ccccn1 ZINC000237590070 262634700 /nfs/dbraw/zinc/63/47/00/262634700.db2.gz MJWBUNUIDMVLES-UHFFFAOYSA-N 1 0 258.325 1.178 20 10 CDCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)OCCO ZINC000288438455 264666481 /nfs/dbraw/zinc/66/64/81/264666481.db2.gz LQQFEUVJQRCMBX-UHFFFAOYSA-N 1 0 273.760 1.923 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000368883234 267209993 /nfs/dbraw/zinc/20/99/93/267209993.db2.gz XZIBNAZWPCTVMK-MNOVXSKESA-N 1 0 255.289 1.306 20 10 CDCDRO Cc1cccc(C[N@@H+](CC(N)=O)CC(C)C)c1O ZINC000124539608 281215624 /nfs/dbraw/zinc/21/56/24/281215624.db2.gz ZKKQGVVXTRHJDP-UHFFFAOYSA-N 1 0 250.342 1.644 20 10 CDCDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000294710560 328282743 /nfs/dbraw/zinc/28/27/43/328282743.db2.gz BHVGVAVHHLNHSP-HUUCEWRRSA-N 1 0 275.396 1.562 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C[C@H](C)C(=O)NC)c1O ZINC000093899056 327146207 /nfs/dbraw/zinc/14/62/07/327146207.db2.gz GTIUKELDIZMDGV-NSHDSACASA-N 1 0 280.368 1.605 20 10 CDCDRO COc1cccc(CN2CC[NH+]3CCC2CC3)c1O ZINC000377693306 329024821 /nfs/dbraw/zinc/02/48/21/329024821.db2.gz KHPCOGSCHBAZJY-UHFFFAOYSA-N 1 0 262.353 1.681 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@]1(F)CC[NH2+]C1 ZINC000178711208 329202767 /nfs/dbraw/zinc/20/27/67/329202767.db2.gz HHHDNSIHSLHGKM-INIZCTEOSA-N 1 0 291.370 1.605 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179726354 329208262 /nfs/dbraw/zinc/20/82/62/329208262.db2.gz AZQKDKSWORIKMA-AWEZNQCLSA-N 1 0 274.364 1.944 20 10 CDCDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1ccccn1 ZINC000262037348 329998710 /nfs/dbraw/zinc/99/87/10/329998710.db2.gz QRPGQWOSFZDPEH-UHFFFAOYSA-N 1 0 284.363 1.438 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000078639452 330327024 /nfs/dbraw/zinc/32/70/24/330327024.db2.gz SKDJAGMTUSKYNM-JTQLQIEISA-N 1 0 269.366 1.144 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CS(C)(=O)=O)c1 ZINC000078639589 330327085 /nfs/dbraw/zinc/32/70/85/330327085.db2.gz KPCSSEJCDNSAOK-JTQLQIEISA-N 1 0 257.355 1.223 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cn[nH]c1 ZINC000229884900 333310707 /nfs/dbraw/zinc/31/07/07/333310707.db2.gz ZBGJRXPFDLOVNX-QMMMGPOBSA-N 1 0 261.281 1.695 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC2(C1)C[NH+](C)C2 ZINC001231856478 1161015395 /nfs/dbraw/zinc/01/53/95/1161015395.db2.gz NCRQFXNCGCFFON-UHFFFAOYSA-N 1 0 275.396 1.509 20 10 CDCDRO CCc1cccc(CN(C)CCS(C)(=O)=O)c1O ZINC000821984460 1161925392 /nfs/dbraw/zinc/92/53/92/1161925392.db2.gz VNUVQRCLTNAHCI-UHFFFAOYSA-N 1 0 271.382 1.431 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC000050150221 518284946 /nfs/dbraw/zinc/28/49/46/518284946.db2.gz RWIRDVNQNHDTJQ-LBPRGKRZSA-N 1 0 267.300 1.691 20 10 CDCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000279907015 519538906 /nfs/dbraw/zinc/53/89/06/519538906.db2.gz WKOOZCJJUYZZBH-LBPRGKRZSA-N 1 0 280.343 1.879 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c1 ZINC000277407368 521146398 /nfs/dbraw/zinc/14/63/98/521146398.db2.gz ZKBJNUGVNYDPHR-GASCZTMLSA-N 1 0 281.352 1.637 20 10 CDCDRO CCOc1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1O ZINC000128223802 521340777 /nfs/dbraw/zinc/34/07/77/521340777.db2.gz SECFRWSHPAQPCC-CQSZACIVSA-N 1 0 294.395 1.553 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(C)COC2)c1O ZINC000083523036 521361803 /nfs/dbraw/zinc/36/18/03/521361803.db2.gz OHHMXHZDCCFXSW-UHFFFAOYSA-N 1 0 251.326 1.917 20 10 CDCDRO CCOc1cccc(C[NH2+]CCOCCOC)c1O ZINC000044693542 521364721 /nfs/dbraw/zinc/36/47/21/521364721.db2.gz JEJMZPUWFVXTPS-UHFFFAOYSA-N 1 0 269.341 1.544 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000291171648 521994459 /nfs/dbraw/zinc/99/44/59/521994459.db2.gz DRINJTZKCMZFED-INIZCTEOSA-N 1 0 278.396 1.990 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000277529050 522205926 /nfs/dbraw/zinc/20/59/26/522205926.db2.gz URYHKZOXFKAIQO-UHFFFAOYSA-N 1 0 289.423 1.707 20 10 CDCDRO CC[C@H]([NH2+]CCOCCO)c1ccc(C)cc1O ZINC000279950000 522595647 /nfs/dbraw/zinc/59/56/47/522595647.db2.gz BSIXWMYOESWFLP-ZDUSSCGKSA-N 1 0 253.342 1.750 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccccc1O ZINC000068801418 522620786 /nfs/dbraw/zinc/62/07/86/522620786.db2.gz SEICTMSSDSEJQC-HIFRSBDPSA-N 1 0 277.412 1.679 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3CCCC[NH2+]3)ccc21 ZINC000237129055 523862097 /nfs/dbraw/zinc/86/20/97/523862097.db2.gz SXWKEYYQZFPCSX-OAHLLOKOSA-N 1 0 287.407 1.827 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1C ZINC000280249346 524072075 /nfs/dbraw/zinc/07/20/75/524072075.db2.gz ITDGDKVHLLSVQL-LSDHHAIUSA-N 1 0 279.380 1.738 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000276549790 524159664 /nfs/dbraw/zinc/15/96/64/524159664.db2.gz KFGPKAICSMMUOU-MRVPVSSYSA-N 1 0 270.304 1.307 20 10 CDCDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880245 524600569 /nfs/dbraw/zinc/60/05/69/524600569.db2.gz KXBVKFSRXUFNGH-JTQLQIEISA-N 1 0 292.335 1.221 20 10 CDCDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccccc1O ZINC000280923882 525405357 /nfs/dbraw/zinc/40/53/57/525405357.db2.gz RHGLFDDILWXPAQ-RWMBFGLXSA-N 1 0 265.353 1.688 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000262627435 527231672 /nfs/dbraw/zinc/23/16/72/527231672.db2.gz MENCRLWJAMNRGP-OCCSQVGLSA-N 1 0 261.369 1.445 20 10 CDCDRO OC1CC(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000762504160 576651775 /nfs/dbraw/zinc/65/17/75/576651775.db2.gz PPTAXACXCWBVRF-UHFFFAOYSA-N 1 0 290.407 1.774 20 10 CDCDRO CCOc1ccc(C[NH2+]CCC[S@@](C)=O)c(O)c1 ZINC000735084891 575422812 /nfs/dbraw/zinc/42/28/12/575422812.db2.gz AIXMKVRTFGYFMD-GOSISDBHSA-N 1 0 271.382 1.649 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)CC(C)(CO)CO)cc1 ZINC000773765443 575838345 /nfs/dbraw/zinc/83/83/45/575838345.db2.gz KAYNIEUJEUDQRU-UHFFFAOYSA-N 1 0 280.412 1.565 20 10 CDCDRO C[C@@H]1[C@H](C(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC000764608746 575925469 /nfs/dbraw/zinc/92/54/69/575925469.db2.gz IOZDUOYOFRJKPE-DGCLKSJQSA-N 1 0 262.353 1.691 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@H]3CCN(C)C3)CC2)cc1 ZINC000765637367 576046848 /nfs/dbraw/zinc/04/68/48/576046848.db2.gz CNIYWWLZGTZXJW-HNNXBMFYSA-N 1 0 289.423 1.958 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1C3CCC1CC3)[C@@H](O)CO2 ZINC000768442439 576283403 /nfs/dbraw/zinc/28/34/03/576283403.db2.gz WEZKPFUVWUHCOY-MGULZYLOSA-N 1 0 261.321 1.945 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Cl)ccc1O ZINC000756660211 576998956 /nfs/dbraw/zinc/99/89/56/576998956.db2.gz LARWDZCIAHZMJK-JGVFFNPUSA-N 1 0 256.733 1.960 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1O ZINC000757926752 577061527 /nfs/dbraw/zinc/06/15/27/577061527.db2.gz NTKYYQDJKZYJQZ-CQSZACIVSA-N 1 0 285.315 1.589 20 10 CDCDRO C[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccccc1O ZINC000892066019 617457634 /nfs/dbraw/zinc/45/76/34/617457634.db2.gz BNHUANPHXBJKJD-NSHDSACASA-N 1 0 275.352 1.672 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccco2)c(O)c1OC ZINC000892517557 617471231 /nfs/dbraw/zinc/47/12/31/617471231.db2.gz OFUSYWYTEXUEEH-LLVKDONJSA-N 1 0 293.319 1.826 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892143889 617505764 /nfs/dbraw/zinc/50/57/64/617505764.db2.gz GZQPGOIXDBRJFW-VHSXEESVSA-N 1 0 251.330 1.490 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000892146190 617506843 /nfs/dbraw/zinc/50/68/43/617506843.db2.gz NTFIZIKSOMHCAX-GUBZILKMSA-N 1 0 251.330 1.488 20 10 CDCDRO CNC(=O)CCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892705145 617610414 /nfs/dbraw/zinc/61/04/14/617610414.db2.gz MLFQCXZAWRBGIH-UHFFFAOYSA-N 1 0 282.340 1.025 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840951941 617739290 /nfs/dbraw/zinc/73/92/90/617739290.db2.gz OEEVUFDYLSICPK-QGZVFWFLSA-N 1 0 292.423 1.892 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c1OC ZINC000893949444 618214911 /nfs/dbraw/zinc/21/49/11/618214911.db2.gz NQCDTRCVGWKZCT-MWLCHTKSSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c(O)c1OC ZINC000894125467 618605650 /nfs/dbraw/zinc/60/56/50/618605650.db2.gz FLXHMOOMBFJFKI-LBPRGKRZSA-N 1 0 281.352 1.612 20 10 CDCDRO COC[C@@]1(CNCc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841066525 618680172 /nfs/dbraw/zinc/68/01/72/618680172.db2.gz MMIPOUNFPNPZAI-INIZCTEOSA-N 1 0 277.412 1.611 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841100859 618682176 /nfs/dbraw/zinc/68/21/76/618682176.db2.gz MJBPGHMJRZLFQW-HNNXBMFYSA-N 1 0 263.385 1.139 20 10 CDCDRO COc1c([O-])c(C[NH2+]CCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000843129190 618693859 /nfs/dbraw/zinc/69/38/59/618693859.db2.gz NEBZORPXHXUCQC-UHFFFAOYSA-N 1 0 297.355 1.918 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894380818 618837308 /nfs/dbraw/zinc/83/73/08/618837308.db2.gz AFZZRGPLKIWUOV-JTQLQIEISA-N 1 0 266.341 1.323 20 10 CDCDRO COc1ccc(C[N@H+](C)C[C@@H](O)C2CC2)c(O)c1OC ZINC000894472760 618901699 /nfs/dbraw/zinc/90/16/99/618901699.db2.gz WBUJHTABCUQMQT-GFCCVEGCSA-N 1 0 281.352 1.612 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894653171 619005620 /nfs/dbraw/zinc/00/56/20/619005620.db2.gz QKGALYFOOYFWBK-GFCCVEGCSA-N 1 0 269.341 1.196 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000894766833 619051604 /nfs/dbraw/zinc/05/16/04/619051604.db2.gz VCXOFQCLMVGFLT-LBPRGKRZSA-N 1 0 251.326 1.570 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000894983321 619183334 /nfs/dbraw/zinc/18/33/34/619183334.db2.gz BQIVJBQSXPWZEX-NSHDSACASA-N 1 0 278.352 1.325 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1O ZINC000895317450 619545543 /nfs/dbraw/zinc/54/55/43/619545543.db2.gz OHVIHZSTWKASBS-CYBMUJFWSA-N 1 0 278.352 1.405 20 10 CDCDRO COc1ccc(C[NH2+]C2([C@@H](C)O)CC2)c(O)c1OC ZINC000895442740 619669921 /nfs/dbraw/zinc/66/99/21/619669921.db2.gz PYHWINIGDSTESS-SECBINFHSA-N 1 0 267.325 1.412 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCO[C@@H]2CCOC2)c1 ZINC000897201551 620414553 /nfs/dbraw/zinc/41/45/53/620414553.db2.gz KYHNMIKFZWTZSX-CYBMUJFWSA-N 1 0 267.325 1.296 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000035134181 620981099 /nfs/dbraw/zinc/98/10/99/620981099.db2.gz LNNMXNPWWGJYPM-UHFFFAOYSA-N 1 0 263.385 1.759 20 10 CDCDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(N)cc1)C(C)C ZINC000841041486 621550016 /nfs/dbraw/zinc/55/00/16/621550016.db2.gz CNHDOZAIYJHKOP-UHFFFAOYSA-N 1 0 292.383 1.054 20 10 CDCDRO CC[C@@H](C(=O)NCc1ccc(O)cc1O)[NH+](C)C ZINC000910951614 629115647 /nfs/dbraw/zinc/11/56/47/629115647.db2.gz VFNNBIYMRWFARG-NSHDSACASA-N 1 0 252.314 1.054 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000044684306 630555652 /nfs/dbraw/zinc/55/56/52/630555652.db2.gz YULFWPIRRORMEO-GFCCVEGCSA-N 1 0 262.353 1.727 20 10 CDCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)COCC1CC1 ZINC000921630775 633107073 /nfs/dbraw/zinc/10/70/73/633107073.db2.gz CYCCBYNKODHBJQ-MRXNPFEDSA-N 1 0 291.391 1.889 20 10 CDCDRO COc1cccc(C[NH2+]CC(C)(C)S(C)(=O)=O)c1O ZINC000093522943 678835191 /nfs/dbraw/zinc/83/51/91/678835191.db2.gz IVVAUGOJLLDLDC-UHFFFAOYSA-N 1 0 287.381 1.314 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCCCNC2=O)c(O)c1 ZINC000876654646 677737808 /nfs/dbraw/zinc/73/78/08/677737808.db2.gz LFLFIMKQDZVOSM-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCSC1 ZINC000877082639 677765746 /nfs/dbraw/zinc/76/57/46/677765746.db2.gz ZWJIXHUDCUTLFC-CYBMUJFWSA-N 1 0 253.367 1.658 20 10 CDCDRO COc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1O ZINC000934940143 677771598 /nfs/dbraw/zinc/77/15/98/677771598.db2.gz IZVCCYZUQJLTIK-ZDUSSCGKSA-N 1 0 292.379 1.890 20 10 CDCDRO C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841929617 677776149 /nfs/dbraw/zinc/77/61/49/677776149.db2.gz WRZGDNXDPKTZHL-GXTWGEPZSA-N 1 0 290.411 1.499 20 10 CDCDRO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000824914133 677809698 /nfs/dbraw/zinc/80/96/98/677809698.db2.gz MKFFBGVLDNLDJQ-ZDUSSCGKSA-N 1 0 283.393 1.791 20 10 CDCDRO O[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000188847745 677816171 /nfs/dbraw/zinc/81/61/71/677816171.db2.gz FFAMVTFIBYEPEC-RDJZCZTQSA-N 1 0 290.407 1.774 20 10 CDCDRO Oc1cccc(Cl)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000128343916 677842524 /nfs/dbraw/zinc/84/25/24/677842524.db2.gz OQTFDKYTENSPBV-NXEZZACHSA-N 1 0 252.745 1.697 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000036795182 677843854 /nfs/dbraw/zinc/84/38/54/677843854.db2.gz CNPYFGZHKJJLDX-QMMMGPOBSA-N 1 0 256.733 1.660 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964237 677851179 /nfs/dbraw/zinc/85/11/79/677851179.db2.gz OSWDRTDCHPECHR-LBPRGKRZSA-N 1 0 266.410 1.710 20 10 CDCDRO C[C@@H](NC(=O)N1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841883217 677869178 /nfs/dbraw/zinc/86/91/78/677869178.db2.gz SEYJOJFQGVQCOP-GFCCVEGCSA-N 1 0 276.384 1.428 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000877099262 677881679 /nfs/dbraw/zinc/88/16/79/677881679.db2.gz DUXVZDYOIDJVLG-DOMZBBRYSA-N 1 0 264.369 1.509 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000323552170 677966125 /nfs/dbraw/zinc/96/61/25/677966125.db2.gz OWULWPYTRLGYEV-HUUCEWRRSA-N 1 0 264.369 1.382 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1F ZINC000841762275 677954390 /nfs/dbraw/zinc/95/43/90/677954390.db2.gz VPUJRZDXMYAZMS-CYBMUJFWSA-N 1 0 294.374 1.428 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000166477262 678037006 /nfs/dbraw/zinc/03/70/06/678037006.db2.gz UPCIOPBHEKNMAY-OTYXRUKQSA-N 1 0 281.327 1.937 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597489 678039238 /nfs/dbraw/zinc/03/92/38/678039238.db2.gz LCILPDRKDXUELI-NSHDSACASA-N 1 0 276.380 1.743 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1O ZINC000843378043 678062012 /nfs/dbraw/zinc/06/20/12/678062012.db2.gz YGVLLOKNUTYAEP-UWVGGRQHSA-N 1 0 280.343 1.916 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(OC)cc1O ZINC000852824957 678069008 /nfs/dbraw/zinc/06/90/08/678069008.db2.gz DJLXVNXSZITNCL-NSHDSACASA-N 1 0 252.314 1.015 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCSC[C@H]2CO)cc1OC ZINC000877779404 678220274 /nfs/dbraw/zinc/22/02/74/678220274.db2.gz CJBQYLSSTYRUEI-LLVKDONJSA-N 1 0 299.392 1.319 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1c(C)cccc1O ZINC000876985962 678202498 /nfs/dbraw/zinc/20/24/98/678202498.db2.gz YGVZLDMAWBMRCF-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c1O ZINC000305800498 679676844 /nfs/dbraw/zinc/67/68/44/679676844.db2.gz XDJKAQOXTQCHJW-WCQYABFASA-N 1 0 251.326 1.282 20 10 CDCDRO COc1cc(N(C)C[C@@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000843358916 679676951 /nfs/dbraw/zinc/67/69/51/679676951.db2.gz FFJCSBAASIMZIQ-LLVKDONJSA-N 1 0 280.368 1.758 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)CCF)c1O ZINC000846209684 679685314 /nfs/dbraw/zinc/68/53/14/679685314.db2.gz SCWTYNNNEKLWMK-UWVGGRQHSA-N 1 0 257.305 1.772 20 10 CDCDRO CC(C)OCC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000788274574 677793350 /nfs/dbraw/zinc/79/33/50/677793350.db2.gz JDCPHAZHTOCKFL-CQSZACIVSA-N 1 0 267.369 2.000 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(CO)(CO)CC2)c(O)c1 ZINC000877796711 677821823 /nfs/dbraw/zinc/82/18/23/677821823.db2.gz USVQKGFVNFFVIB-UHFFFAOYSA-N 1 0 265.353 1.267 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000829764567 677834865 /nfs/dbraw/zinc/83/48/65/677834865.db2.gz OZMAYRQEICTSRR-OAHLLOKOSA-N 1 0 275.396 1.805 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1O ZINC000846166617 677889576 /nfs/dbraw/zinc/88/95/76/677889576.db2.gz BCLFWEPJFYLYQZ-FIXISWKDSA-N 1 0 281.352 1.591 20 10 CDCDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956430 678020688 /nfs/dbraw/zinc/02/06/88/678020688.db2.gz YVAVBCKVGQKSPI-LRDDRELGSA-N 1 0 259.397 1.884 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccccc1O ZINC000879649260 678033072 /nfs/dbraw/zinc/03/30/72/678033072.db2.gz OOJDXXJOFOUOCT-NEPJUHHUSA-N 1 0 261.325 1.300 20 10 CDCDRO CCN(CC[NH3+])C(=O)NCCCSc1nccs1 ZINC000861609437 678043776 /nfs/dbraw/zinc/04/37/76/678043776.db2.gz JNTZNLKZFLDNBC-UHFFFAOYSA-N 1 0 288.442 1.616 20 10 CDCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861590468 678048602 /nfs/dbraw/zinc/04/86/02/678048602.db2.gz SBAGBXQSLVJDPH-CYBMUJFWSA-N 1 0 288.395 1.551 20 10 CDCDRO Nc1cnccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000882915118 678049376 /nfs/dbraw/zinc/04/93/76/678049376.db2.gz HVHJAOZNYOSMSN-UHFFFAOYSA-N 1 0 298.390 1.790 20 10 CDCDRO C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)[C@H](CO)C1 ZINC000877643455 678049999 /nfs/dbraw/zinc/04/99/99/678049999.db2.gz FDLSEMNRUGICCB-LBPRGKRZSA-N 1 0 270.760 1.154 20 10 CDCDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1O ZINC000783507651 678113692 /nfs/dbraw/zinc/11/36/92/678113692.db2.gz CVYDOBVYQFQNRI-STQMWFEESA-N 1 0 264.369 1.764 20 10 CDCDRO COCC[C@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000884138785 678159516 /nfs/dbraw/zinc/15/95/16/678159516.db2.gz ZGDWGJBSKHGYAB-VIFPVBQESA-N 1 0 289.426 1.105 20 10 CDCDRO [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843048734 678215145 /nfs/dbraw/zinc/21/51/45/678215145.db2.gz UXQDTTMFLIQZRX-VIFPVBQESA-N 1 0 285.185 1.935 20 10 CDCDRO CN(C)c1ccc(CN2CCC[NH2+]CC2)cc1F ZINC000843046939 678247077 /nfs/dbraw/zinc/24/70/77/678247077.db2.gz AMHZXFCUAIBKBG-UHFFFAOYSA-N 1 0 251.349 1.687 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000877545536 678261944 /nfs/dbraw/zinc/26/19/44/678261944.db2.gz HYVGQQXNHWCFIX-UHFFFAOYSA-N 1 0 297.420 1.957 20 10 CDCDRO CCOC(=O)c1cc(C[NH2+]Cc2ccccc2O)on1 ZINC000865764610 678276887 /nfs/dbraw/zinc/27/68/87/678276887.db2.gz HXEITOLNZFPMGP-UHFFFAOYSA-N 1 0 276.292 1.847 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841881093 678278990 /nfs/dbraw/zinc/27/89/90/678278990.db2.gz NYAOSAQWXRTEOC-MNOVXSKESA-N 1 0 264.373 1.460 20 10 CDCDRO CC[C@@]1(O)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000779218554 678282705 /nfs/dbraw/zinc/28/27/05/678282705.db2.gz GTRBAELMAYVVAJ-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNCCO2)c(O)c1 ZINC000817983790 678282835 /nfs/dbraw/zinc/28/28/35/678282835.db2.gz QLJZZUACPGRDIP-NWDGAFQWSA-N 1 0 250.342 1.340 20 10 CDCDRO C[N@H+](CC[S@@](C)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000827336704 678347940 /nfs/dbraw/zinc/34/79/40/678347940.db2.gz LMQQUIKMJLPYSD-HXUWFJFHSA-N 1 0 296.436 1.334 20 10 CDCDRO CCOc1ccc(CN2CCC[C@@H]([NH2+]C)C2)c(O)c1 ZINC000843048756 678362472 /nfs/dbraw/zinc/36/24/72/678362472.db2.gz WAYCQEAXRPBQAU-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1F ZINC000831018895 678403831 /nfs/dbraw/zinc/40/38/31/678403831.db2.gz TXODZZMUUZGZKY-OAHLLOKOSA-N 1 0 294.374 1.443 20 10 CDCDRO CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1O ZINC000702636417 678409477 /nfs/dbraw/zinc/40/94/77/678409477.db2.gz MLGNNQPIQRSVOU-UKRRQHHQSA-N 1 0 264.369 1.500 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000840826813 678425530 /nfs/dbraw/zinc/42/55/30/678425530.db2.gz WJMULGDGIFOMGZ-NWDGAFQWSA-N 1 0 260.337 1.495 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1O ZINC000846152581 678433335 /nfs/dbraw/zinc/43/33/35/678433335.db2.gz ANTPQIWVJRDVRA-FZMZJTMJSA-N 1 0 295.379 1.839 20 10 CDCDRO CCOc1cccc(CN(C)CC(=O)N2CCCC2)c1O ZINC000132708369 678457779 /nfs/dbraw/zinc/45/77/79/678457779.db2.gz LXCVCAQOCQUBFB-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)CC2CC2)cc1OC ZINC000776251801 678537115 /nfs/dbraw/zinc/53/71/15/678537115.db2.gz BDRSKQFIRIIQLK-GFCCVEGCSA-N 1 0 281.352 1.660 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000843379675 678543959 /nfs/dbraw/zinc/54/39/59/678543959.db2.gz ISJVRTZJEDZLNQ-STQMWFEESA-N 1 0 298.333 1.866 20 10 CDCDRO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956031 678586140 /nfs/dbraw/zinc/58/61/40/678586140.db2.gz OEKWFYFSLRUZCE-GJZGRUSLSA-N 1 0 296.436 1.757 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000862757835 678588098 /nfs/dbraw/zinc/58/80/98/678588098.db2.gz FXGDNXYDMHFMDO-ZDUSSCGKSA-N 1 0 292.379 1.285 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1O ZINC000877525924 678596740 /nfs/dbraw/zinc/59/67/40/678596740.db2.gz MXZFAMNCCOFFTG-DGCLKSJQSA-N 1 0 292.379 1.938 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccc(OC)c1O ZINC000843122797 678629321 /nfs/dbraw/zinc/62/93/21/678629321.db2.gz UZZFINPUMAAQNH-RYUDHWBXSA-N 1 0 268.332 1.533 20 10 CDCDRO O=C1CC[C@H]2CN(Cc3cccc(Cl)c3[O-])CCN12 ZINC000124579482 678642952 /nfs/dbraw/zinc/64/29/52/678642952.db2.gz KSPWBJZBNFRFBJ-NSHDSACASA-N 1 0 280.755 1.852 20 10 CDCDRO COc1ccc(C[NH2+]C2(CCO)CCN(C)CC2)cc1C ZINC000788431539 678718082 /nfs/dbraw/zinc/71/80/82/678718082.db2.gz KDCAOAGNDJSJGP-UHFFFAOYSA-N 1 0 292.423 1.940 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000812775153 678781020 /nfs/dbraw/zinc/78/10/20/678781020.db2.gz HNNZGSKMDGGCTH-JTQLQIEISA-N 1 0 287.306 1.850 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC1CC[NH+](C)CC1 ZINC000079205798 678792678 /nfs/dbraw/zinc/79/26/78/678792678.db2.gz KWFURISUQFSQTH-UHFFFAOYSA-N 1 0 277.368 1.628 20 10 CDCDRO COc1ccc(CNC(=O)CC[NH2+]C(C)C)c(O)c1 ZINC000832178665 678824684 /nfs/dbraw/zinc/82/46/84/678824684.db2.gz VOMNHPCDRAOJDS-UHFFFAOYSA-N 1 0 266.341 1.405 20 10 CDCDRO COC(=O)c1cc(C[NH2+]Cc2ccccc2O)cn1C ZINC000809612378 678825028 /nfs/dbraw/zinc/82/50/28/678825028.db2.gz KEAFTRZWUMQDIN-UHFFFAOYSA-N 1 0 274.320 1.807 20 10 CDCDRO C[C@@]1(CO)C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140057703 1158540335 /nfs/dbraw/zinc/54/03/35/1158540335.db2.gz KTUYEFSPYVHERQ-KBPBESRZSA-N 1 0 269.316 1.097 20 10 CDCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468108 678832071 /nfs/dbraw/zinc/83/20/71/678832071.db2.gz YWGAZKSACHRSNX-SUMWQHHRSA-N 1 0 290.407 1.603 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C2([NH3+])CCCC2)cc1 ZINC000037801189 678853133 /nfs/dbraw/zinc/85/31/33/678853133.db2.gz ABYVDUCWXLFVBK-UHFFFAOYSA-N 1 0 275.396 1.983 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000883077450 678870308 /nfs/dbraw/zinc/87/03/08/678870308.db2.gz KRHFNJZQOFRKQZ-HNNXBMFYSA-N 1 0 290.411 1.646 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000843119662 678900863 /nfs/dbraw/zinc/90/08/63/678900863.db2.gz BDRTWUBBPYQKCH-CABCVRRESA-N 1 0 289.423 1.705 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)C2CC2)c1 ZINC000310939184 678913742 /nfs/dbraw/zinc/91/37/42/678913742.db2.gz JDWFDPZKMWBPEJ-AWEZNQCLSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000843490082 678937981 /nfs/dbraw/zinc/93/79/81/678937981.db2.gz XMJYNXIEYFCEQL-HDRXNWCYSA-N 1 0 276.336 1.043 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1ccccc1O ZINC000858580380 678939472 /nfs/dbraw/zinc/93/94/72/678939472.db2.gz ZCDRWAXVIUNTAT-CMPLNLGQSA-N 1 0 266.341 1.841 20 10 CDCDRO C[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC(=O)N1 ZINC000834907711 678947622 /nfs/dbraw/zinc/94/76/22/678947622.db2.gz AJOLTMVIWJCHJA-XHDPSFHLSA-N 1 0 260.337 1.638 20 10 CDCDRO CC1CCN(c2ccc(C[NH2+]CCC(N)=O)cc2)CC1 ZINC000819038828 678951200 /nfs/dbraw/zinc/95/12/00/678951200.db2.gz IYRDDCXJDDVYNA-UHFFFAOYSA-N 1 0 275.396 1.888 20 10 CDCDRO OCC1([NH2+]Cc2cc(F)ccc2O)CCSCC1 ZINC000839181628 678978465 /nfs/dbraw/zinc/97/84/65/678978465.db2.gz KDIYKINJHUIKJM-UHFFFAOYSA-N 1 0 271.357 1.879 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)COCC[NH3+])cc1 ZINC000826019640 678980966 /nfs/dbraw/zinc/98/09/66/678980966.db2.gz ILPZIFUWRGFGSA-UHFFFAOYSA-N 1 0 293.411 1.467 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000790756946 678987291 /nfs/dbraw/zinc/98/72/91/678987291.db2.gz INYDWZUJQWCZLC-KBPBESRZSA-N 1 0 297.395 1.765 20 10 CDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000840959046 678989835 /nfs/dbraw/zinc/98/98/35/678989835.db2.gz XGZOGCVTIYSQMO-ZDUSSCGKSA-N 1 0 293.386 1.802 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000776520972 679001125 /nfs/dbraw/zinc/00/11/25/679001125.db2.gz RKXGOENYMHIRBW-INIZCTEOSA-N 1 0 295.379 1.883 20 10 CDCDRO COc1ccc(CNC(=O)CC2CC[NH2+]CC2)c(O)c1 ZINC000832178882 679003009 /nfs/dbraw/zinc/00/30/09/679003009.db2.gz YXIWONPONANKMD-UHFFFAOYSA-N 1 0 278.352 1.407 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(=O)N(C)C ZINC000840934221 679017329 /nfs/dbraw/zinc/01/73/29/679017329.db2.gz YZSACDYVTFKPRU-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000851681020 679022980 /nfs/dbraw/zinc/02/29/80/679022980.db2.gz LYBKIFXPRLSZBD-UWVGGRQHSA-N 1 0 281.356 1.369 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1 ZINC000250112635 679023605 /nfs/dbraw/zinc/02/36/05/679023605.db2.gz TWCGFIQHSNTDKJ-FZMZJTMJSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@H](CO)COC(C)C)c1 ZINC000809768246 679031049 /nfs/dbraw/zinc/03/10/49/679031049.db2.gz GFIYZQGTURVMNY-CYBMUJFWSA-N 1 0 283.368 1.619 20 10 CDCDRO COc1cc(O)c(CNC[C@@H]2CCCC[NH2+]2)cc1OC ZINC000841033035 679046627 /nfs/dbraw/zinc/04/66/27/679046627.db2.gz MWVKSTKJGZQLTI-LBPRGKRZSA-N 1 0 280.368 1.641 20 10 CDCDRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758496 679048102 /nfs/dbraw/zinc/04/81/02/679048102.db2.gz BREHDDWGMLJWDX-SNVBAGLBSA-N 1 0 282.363 1.380 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000848412401 679061716 /nfs/dbraw/zinc/06/17/16/679061716.db2.gz QBVNBUNXLGTWMU-NSHDSACASA-N 1 0 261.369 1.293 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](CCCO)C2)c1O ZINC000825338005 679074264 /nfs/dbraw/zinc/07/42/64/679074264.db2.gz KTQLPUXQEJCPMY-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000165421660 679082260 /nfs/dbraw/zinc/08/22/60/679082260.db2.gz LWEHSMACLSTHAQ-LLVKDONJSA-N 1 0 279.409 1.203 20 10 CDCDRO CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000795748598 679091151 /nfs/dbraw/zinc/09/11/51/679091151.db2.gz DAKNYLGHUHZPMR-NOZJJQNGSA-N 1 0 267.325 1.285 20 10 CDCDRO COC[C@]1(CN[C@H](C)c2ccc(F)cc2O)CCC[NH2+]1 ZINC000817973026 679126507 /nfs/dbraw/zinc/12/65/07/679126507.db2.gz BAYOTWRREKIORA-IAQYHMDHSA-N 1 0 282.359 1.951 20 10 CDCDRO O=C1C[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CN1 ZINC000398337582 679143068 /nfs/dbraw/zinc/14/30/68/679143068.db2.gz ITCVSOBWXFRLSG-HNNXBMFYSA-N 1 0 287.407 1.903 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCOC3)cc2)CC1 ZINC000850405848 679148771 /nfs/dbraw/zinc/14/87/71/679148771.db2.gz HKWBAAXTIDPBQU-HNNXBMFYSA-N 1 0 290.407 1.774 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000793324140 679166140 /nfs/dbraw/zinc/16/61/40/679166140.db2.gz IHPVJRCNKDIXQO-SECBINFHSA-N 1 0 263.696 1.282 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3nncs3)cc2)CC1 ZINC000777507560 679182652 /nfs/dbraw/zinc/18/26/52/679182652.db2.gz UHRKZNUNZPKMFY-UHFFFAOYSA-N 1 0 289.408 1.902 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000848928442 679189537 /nfs/dbraw/zinc/18/95/37/679189537.db2.gz DJNOBGRTAJJTHP-SNVBAGLBSA-N 1 0 251.326 1.746 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000035652349 679189620 /nfs/dbraw/zinc/18/96/20/679189620.db2.gz GYCCWFCBDDXNCB-UHFFFAOYSA-N 1 0 282.409 1.419 20 10 CDCDRO CC[S@@](=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310229416 679191476 /nfs/dbraw/zinc/19/14/76/679191476.db2.gz GSLJYKZUQKZJTN-APPDUMDISA-N 1 0 253.367 1.738 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H](C)[NH3+])c1 ZINC000857112425 679192072 /nfs/dbraw/zinc/19/20/72/679192072.db2.gz CWJPLHLHDLBPBR-UWVGGRQHSA-N 1 0 281.356 1.498 20 10 CDCDRO OCCCN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000824583235 679209842 /nfs/dbraw/zinc/20/98/42/679209842.db2.gz JRILWVNPRYMMRU-CQSZACIVSA-N 1 0 298.814 1.982 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[NH2+][C@@H](C)C2)c1O ZINC000228562407 679222238 /nfs/dbraw/zinc/22/22/38/679222238.db2.gz XXXTWVRODZDTDM-VIFPVBQESA-N 1 0 270.760 1.848 20 10 CDCDRO CCOc1ccc(C[NH2+]CCN2CCCC2=O)c(O)c1 ZINC000846077067 679419619 /nfs/dbraw/zinc/41/96/19/679419619.db2.gz LLQHHKAGIZHLLC-UHFFFAOYSA-N 1 0 278.352 1.503 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)c(O)c1 ZINC000877649234 679435512 /nfs/dbraw/zinc/43/55/12/679435512.db2.gz QWJOPZCLDCSSAA-CQSZACIVSA-N 1 0 251.326 1.284 20 10 CDCDRO CCC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)COC1 ZINC000832267285 679464043 /nfs/dbraw/zinc/46/40/43/679464043.db2.gz POBKETQPVAQJCM-AWEZNQCLSA-N 1 0 291.395 1.295 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841653995 679472688 /nfs/dbraw/zinc/47/26/88/679472688.db2.gz LIYNATBJXSIMLP-OCCSQVGLSA-N 1 0 290.411 1.692 20 10 CDCDRO C[C@@H](Nc1nc(N)[nH+]c(N)n1)c1ccc(N(C)C)cc1 ZINC000858488377 679483812 /nfs/dbraw/zinc/48/38/12/679483812.db2.gz RVBRXZCJBSRUJU-MRVPVSSYSA-N 1 0 273.344 1.275 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCOC2)cc1Cn1cccn1 ZINC000873095078 679489394 /nfs/dbraw/zinc/48/93/94/679489394.db2.gz RCWHBHSVALVXBY-HNNXBMFYSA-N 1 0 287.363 1.819 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000848876017 679493173 /nfs/dbraw/zinc/49/31/73/679493173.db2.gz FSTBYHQPXJPEOI-UHFFFAOYSA-N 1 0 262.353 1.652 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COC[C@H]2OC)c1 ZINC000842908475 679505231 /nfs/dbraw/zinc/50/52/31/679505231.db2.gz CJVGDUOKCVJHBI-GAJTVXKRSA-N 1 0 267.325 1.465 20 10 CDCDRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921525039 679520722 /nfs/dbraw/zinc/52/07/22/679520722.db2.gz JXEICSAWEIMPJJ-AWEZNQCLSA-N 1 0 274.364 1.770 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000824893140 679532716 /nfs/dbraw/zinc/53/27/16/679532716.db2.gz LNQWMKIVPMZZAD-GOEBONIOSA-N 1 0 259.397 1.889 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000846673199 679589240 /nfs/dbraw/zinc/58/92/40/679589240.db2.gz QOCGFKGSJYLRHB-CQSZACIVSA-N 1 0 275.396 1.759 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCOC1 ZINC000078449724 679597535 /nfs/dbraw/zinc/59/75/35/679597535.db2.gz GJHIXSPEKJCQFY-MRXNPFEDSA-N 1 0 290.407 1.992 20 10 CDCDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710584 679610127 /nfs/dbraw/zinc/61/01/27/679610127.db2.gz ZEZFXCKJWMQIIN-ZDUSSCGKSA-N 1 0 290.411 1.775 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cc(C)c(C)cc1O ZINC000092381636 679628163 /nfs/dbraw/zinc/62/81/63/679628163.db2.gz JZSFNHHQBWRUBX-UHFFFAOYSA-N 1 0 264.369 1.967 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000890066947 679635846 /nfs/dbraw/zinc/63/58/46/679635846.db2.gz DMCILYFVMNNUIU-GFCCVEGCSA-N 1 0 293.367 1.294 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000710018587 679636101 /nfs/dbraw/zinc/63/61/01/679636101.db2.gz UMPUGWZXFUTRAT-ZDUSSCGKSA-N 1 0 261.369 1.367 20 10 CDCDRO COc1cccc(CNC(=O)N[C@H](C)CCCC[NH3+])c1O ZINC000841997994 679636455 /nfs/dbraw/zinc/63/64/55/679636455.db2.gz UIOMLNBZHAYACS-LLVKDONJSA-N 1 0 295.383 1.718 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000061377170 679637982 /nfs/dbraw/zinc/63/79/82/679637982.db2.gz AQVYLJSNJHGPGU-UHFFFAOYSA-N 1 0 266.385 1.671 20 10 CDCDRO COc1cccc(O)c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127744 679642523 /nfs/dbraw/zinc/64/25/23/679642523.db2.gz SXXMIESPAOAYDT-DGCLKSJQSA-N 1 0 262.353 1.585 20 10 CDCDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc(O)c1O ZINC000790711952 679645790 /nfs/dbraw/zinc/64/57/90/679645790.db2.gz QBLRLQXZQBCMIC-UHFFFAOYSA-N 1 0 296.286 1.931 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC[NH2+]1 ZINC001573876477 1170813621 /nfs/dbraw/zinc/81/36/21/1170813621.db2.gz HJAXLKBWLCLMNV-MRXNPFEDSA-N 1 0 287.407 1.997 20 10 CDCDRO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)c1cccc(O)c1O ZINC001576384286 1171409845 /nfs/dbraw/zinc/40/98/45/1171409845.db2.gz PQCDXZGRZDPKSR-GDLCADMTSA-N 1 0 290.363 1.604 20 10 CDCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC001580332981 1172406537 /nfs/dbraw/zinc/40/65/37/1172406537.db2.gz DRCFDMQRQYDAGS-JLIMDTESSA-N 1 0 275.312 1.316 20 10 CDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CC[NH2+]1 ZINC001580713589 1172521032 /nfs/dbraw/zinc/52/10/32/1172521032.db2.gz CUTRVTVIJFMJBY-AWEZNQCLSA-N 1 0 286.379 1.224 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](C)(CO)C2)c1 ZINC000305767339 1186652444 /nfs/dbraw/zinc/65/24/44/1186652444.db2.gz HYJQEVBSTCNKJI-HNNXBMFYSA-N 1 0 265.353 1.995 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3c[n+]([O-])ccn3)cc2)CC1 ZINC001167426276 895636350 /nfs/dbraw/zinc/63/63/50/895636350.db2.gz FTRLAFOSPLJSPF-UHFFFAOYSA-N 1 0 299.378 1.079 20 10 CDCDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000050372238 895642132 /nfs/dbraw/zinc/64/21/32/895642132.db2.gz VXCKUJOPQOEUFE-ZYHUDNBSSA-N 1 0 265.309 1.778 20 10 CDCDRO C[NH+](C)CCN1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140461683 896166745 /nfs/dbraw/zinc/16/67/45/896166745.db2.gz QVKMEGPGAMYQMN-UHFFFAOYSA-N 1 0 297.830 1.725 20 10 CDCDRO O=C1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CCN1C1CC1 ZINC001172003217 911070487 /nfs/dbraw/zinc/07/04/87/911070487.db2.gz UJIBMHDXYSBUKS-NSHDSACASA-N 1 0 276.336 1.341 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001231591064 911787737 /nfs/dbraw/zinc/78/77/37/911787737.db2.gz RURFJGVLVGMRAQ-DZGCQCFKSA-N 1 0 265.353 1.266 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001231591068 911788553 /nfs/dbraw/zinc/78/85/53/911788553.db2.gz RURFJGVLVGMRAQ-HIFRSBDPSA-N 1 0 265.353 1.266 20 10 CDCDRO COC(=O)N1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001172731620 911868370 /nfs/dbraw/zinc/86/83/70/911868370.db2.gz BFPLZNLZXSSAGW-UHFFFAOYSA-N 1 0 294.351 1.461 20 10 CDCDRO [NH3+]CCN(C(=O)/C=C/c1ccc(O)c(O)c1)c1cccnc1 ZINC001179689268 915925984 /nfs/dbraw/zinc/92/59/84/915925984.db2.gz HSZMTKGUBPXXBD-GQCTYLIASA-N 1 0 299.330 1.498 20 10 CDCDRO Oc1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c(O)c1 ZINC001204279206 916614893 /nfs/dbraw/zinc/61/48/93/916614893.db2.gz SPWOGBVXPGWEHW-UHFFFAOYSA-N 1 0 280.343 1.716 20 10 CDCDRO CCC[NH2+][C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666242 936382854 /nfs/dbraw/zinc/38/28/54/936382854.db2.gz CHRRNDUBLKDVFQ-GHMZBOCLSA-N 1 0 280.368 1.966 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC001236869001 916993765 /nfs/dbraw/zinc/99/37/65/916993765.db2.gz TWZQBAJSLPZRMQ-HNNXBMFYSA-N 1 0 277.412 1.692 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@](C)(O)C2)c1O ZINC001237682126 917550209 /nfs/dbraw/zinc/55/02/09/917550209.db2.gz ZDCIYVBPHSUHFW-CQSZACIVSA-N 1 0 285.771 1.937 20 10 CDCDRO Cc1c(CN2CCNC(=O)[C@@H]2C)c2ccccc2n1C ZINC001138256796 936502903 /nfs/dbraw/zinc/50/29/03/936502903.db2.gz LCRRWNMFEZTICV-LBPRGKRZSA-N 1 0 271.364 1.807 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H](C(N)=O)C3)ccc21 ZINC001138353699 936525105 /nfs/dbraw/zinc/52/51/05/936525105.db2.gz HGDINHFKAHQNFO-HNNXBMFYSA-N 1 0 287.407 1.766 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c(O)c1 ZINC001203620754 919676808 /nfs/dbraw/zinc/67/68/08/919676808.db2.gz HNKRPCIUMWYJQZ-RISCZKNCSA-N 1 0 265.353 1.994 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060131 936675474 /nfs/dbraw/zinc/67/54/74/936675474.db2.gz LXCYQURGOQHDCO-CYBMUJFWSA-N 1 0 266.316 1.584 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140184892 936685443 /nfs/dbraw/zinc/68/54/43/936685443.db2.gz JNUHYQOTSBGNNC-UHFFFAOYSA-N 1 0 291.395 1.902 20 10 CDCDRO Cc1c(O)ccc(CN2CC[NH+](C(C)C)CC2)c1O ZINC001140741825 936748345 /nfs/dbraw/zinc/74/83/45/936748345.db2.gz CZYAJHGUEUBAIO-UHFFFAOYSA-N 1 0 264.369 1.932 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749620 936749422 /nfs/dbraw/zinc/74/94/22/936749422.db2.gz GSYAGYFLISZFJW-UHFFFAOYSA-N 1 0 293.367 1.300 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCN(C)[C@H](C)C2)c1O ZINC001140748708 936749866 /nfs/dbraw/zinc/74/98/66/936749866.db2.gz ILOPXXOXFCZPEM-SNVBAGLBSA-N 1 0 250.342 1.542 20 10 CDCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000689527655 936762331 /nfs/dbraw/zinc/76/23/31/936762331.db2.gz XORMSSCBWDULOR-SNVBAGLBSA-N 1 0 252.314 1.741 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(O)c1 ZINC001140947942 936782131 /nfs/dbraw/zinc/78/21/31/936782131.db2.gz MBIGHTMYNVJKRG-XNRPHZJLSA-N 1 0 277.364 1.672 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031255 936794662 /nfs/dbraw/zinc/79/46/62/936794662.db2.gz AGWVFTMBSNUGDY-GXFFZTMASA-N 1 0 281.352 1.612 20 10 CDCDRO C[N@@H+](Cc1cc(O)ccc1O)CC1CCOCC1 ZINC001141155904 936821379 /nfs/dbraw/zinc/82/13/79/936821379.db2.gz AJCBPYCKXTWAIW-UHFFFAOYSA-N 1 0 251.326 1.956 20 10 CDCDRO COCC1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141141168 936818936 /nfs/dbraw/zinc/81/89/36/936818936.db2.gz VJDNXMZEVUPJPX-UHFFFAOYSA-N 1 0 262.353 1.593 20 10 CDCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)CC[C@H]21 ZINC001141163194 936823717 /nfs/dbraw/zinc/82/37/17/936823717.db2.gz UPZJYUPIUDHCJR-BXUZGUMPSA-N 1 0 290.363 1.541 20 10 CDCDRO Cc1noc(C2C[NH+](Cc3cccc(C)c3O)C2)n1 ZINC000839130932 936906227 /nfs/dbraw/zinc/90/62/27/936906227.db2.gz IUDFWBKZCCIFAR-UHFFFAOYSA-N 1 0 259.309 1.991 20 10 CDCDRO O=C1OCCN1C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878511 925152123 /nfs/dbraw/zinc/15/21/23/925152123.db2.gz AONQDHZJPNVWEB-UHFFFAOYSA-N 1 0 292.335 1.514 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)CO1 ZINC001169326672 927957037 /nfs/dbraw/zinc/95/70/37/927957037.db2.gz MCTBEYLWYXXHSC-TZMCWYRMSA-N 1 0 279.336 1.593 20 10 CDCDRO COc1c(F)cc(N(C)C(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC001170059364 929237177 /nfs/dbraw/zinc/23/71/77/929237177.db2.gz TYLHARAZSRUPFQ-UHFFFAOYSA-N 1 0 271.292 1.916 20 10 CDCDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001170090238 929604660 /nfs/dbraw/zinc/60/46/60/929604660.db2.gz JRHWIDNMMREMCX-UDZFHETQSA-N 1 0 251.326 1.909 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CN(C)Cc1ccccc1O ZINC001253187856 929906866 /nfs/dbraw/zinc/90/68/66/929906866.db2.gz JZTZAVPUXRSOBR-CQSZACIVSA-N 1 0 266.385 1.527 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CC(N)=O)C2)cc1 ZINC000818345796 930706190 /nfs/dbraw/zinc/70/61/90/930706190.db2.gz YCZBHTOQWBCXKV-CHWSQXEVSA-N 1 0 291.395 1.375 20 10 CDCDRO CO[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514641 931877154 /nfs/dbraw/zinc/87/71/54/931877154.db2.gz NBOBZBRMTOJPTP-NSHDSACASA-N 1 0 267.325 1.804 20 10 CDCDRO COC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516169 931880105 /nfs/dbraw/zinc/88/01/05/931880105.db2.gz RPPNKXZSZGIEJJ-SECBINFHSA-N 1 0 281.308 1.188 20 10 CDCDRO O=C(c1c(F)ccc(O)c1O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001117787848 937553291 /nfs/dbraw/zinc/55/32/91/937553291.db2.gz UVVRLVCGDLUJSR-JTQLQIEISA-N 1 0 294.326 1.547 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2nncn2C)c1O ZINC000846148334 931980655 /nfs/dbraw/zinc/98/06/55/931980655.db2.gz ZRESAWRHUPLLIJ-NXEZZACHSA-N 1 0 276.340 1.941 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846145180 931986881 /nfs/dbraw/zinc/98/68/81/931986881.db2.gz LVGVCPSQQDNOHB-OLZOCXBDSA-N 1 0 294.395 1.772 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCN(Cc3c(O)cccc3F)[C@@H]2C1 ZINC001276354324 935042097 /nfs/dbraw/zinc/04/20/97/935042097.db2.gz QOKKCEJZWSADPF-GXFFZTMASA-N 1 0 250.317 1.667 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H]3CCC(=O)N3)CC2)cc1 ZINC001202796924 935712598 /nfs/dbraw/zinc/71/25/98/935712598.db2.gz OWEXNVRIJJFDIX-CYBMUJFWSA-N 1 0 289.379 1.096 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnc(C)n2C)c(O)c1 ZINC000689211806 936083653 /nfs/dbraw/zinc/08/36/53/936083653.db2.gz OGKIUXIAALAVLM-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC001120677328 937824808 /nfs/dbraw/zinc/82/48/08/937824808.db2.gz NRKOXJHIJNJAIZ-GXFFZTMASA-N 1 0 262.357 1.148 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001157755343 938541360 /nfs/dbraw/zinc/54/13/60/938541360.db2.gz PRGBUBPCLOHLPF-HNNXBMFYSA-N 1 0 279.359 1.491 20 10 CDCDRO C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1[NH3+] ZINC001157798918 938547412 /nfs/dbraw/zinc/54/74/12/938547412.db2.gz HBVUDYXMHBNYJT-PEWKINPCSA-N 1 0 276.336 1.307 20 10 CDCDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001160872332 938835323 /nfs/dbraw/zinc/83/53/23/938835323.db2.gz JVBLZDQQRACASQ-WCQYABFASA-N 1 0 274.364 1.665 20 10 CDCDRO COc1cccc(N)c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163327830 939248906 /nfs/dbraw/zinc/24/89/06/939248906.db2.gz MMRZXGMUAJRIIE-NHYWBVRUSA-N 1 0 277.368 1.600 20 10 CDCDRO CC[NH+](CC)C[C@H]1CN(Cc2ccccc2O)CCO1 ZINC001203563339 939693499 /nfs/dbraw/zinc/69/34/99/939693499.db2.gz ZCMXILUDGUTFSM-HNNXBMFYSA-N 1 0 278.396 1.935 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(O)c1 ZINC001203621031 939697066 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CC(C)c1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001237044976 944646199 /nfs/dbraw/zinc/64/61/99/944646199.db2.gz GHRNGXSRWGPZKH-CQSZACIVSA-N 1 0 265.353 1.709 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)C2)c(O)c(OC)c1 ZINC001237669143 944917691 /nfs/dbraw/zinc/91/76/91/944917691.db2.gz JAJFZTZOOOMWLH-NSHDSACASA-N 1 0 267.325 1.366 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237676270 944921614 /nfs/dbraw/zinc/92/16/14/944921614.db2.gz MWTQVGJQTOZBLK-UHFFFAOYSA-N 1 0 295.335 1.404 20 10 CDCDRO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC001261424577 946112502 /nfs/dbraw/zinc/11/25/02/946112502.db2.gz XYBLHXLNGXNJPO-QWRGUYRKSA-N 1 0 280.368 1.827 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC001261791742 946278817 /nfs/dbraw/zinc/27/88/17/946278817.db2.gz ZKTYLNVPKDJFLH-MGPQQGTHSA-N 1 0 290.407 1.905 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)c(O)c1OC ZINC001262360399 946607424 /nfs/dbraw/zinc/60/74/24/946607424.db2.gz FPQGAWWKFCFBTD-OAHLLOKOSA-N 1 0 281.352 1.660 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CN1 ZINC001246291374 948082743 /nfs/dbraw/zinc/08/27/43/948082743.db2.gz IDLBGOUILQONKC-WHOFXGATSA-N 1 0 291.395 1.307 20 10 CDCDRO CCOC(=O)CC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258477104 948870286 /nfs/dbraw/zinc/87/02/86/948870286.db2.gz AUEZHDORAZOXLC-SNVBAGLBSA-N 1 0 297.351 1.667 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)Cc2ccno2)c(O)c1 ZINC001249214189 949459239 /nfs/dbraw/zinc/45/92/39/949459239.db2.gz GNMXRIMNHGAICV-UHFFFAOYSA-N 1 0 290.319 1.728 20 10 CDCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C(=O)OC ZINC001252421245 951245579 /nfs/dbraw/zinc/24/55/79/951245579.db2.gz AFWROYIXLUZUEF-CQSZACIVSA-N 1 0 280.368 1.108 20 10 CDCDRO CC(C)OC[C@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252679849 951566943 /nfs/dbraw/zinc/56/69/43/951566943.db2.gz FXPRHUHKZIIIKX-MRXNPFEDSA-N 1 0 280.412 1.970 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001331456268 957074343 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ZINC000848429975 969089121 /nfs/dbraw/zinc/08/91/21/969089121.db2.gz ZMUVRBUGMGGKCM-BBRMVZONSA-N 1 0 290.363 1.407 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)CCC[NH2+]1 ZINC001577940064 1171775861 /nfs/dbraw/zinc/77/58/61/1171775861.db2.gz ZEMIWUIXPBXSES-HNNXBMFYSA-N 1 0 283.368 1.636 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)OCCCF)cc1 ZINC001578424510 1171905801 /nfs/dbraw/zinc/90/58/01/1171905801.db2.gz JSEHQBYTMHFTHK-CYBMUJFWSA-N 1 0 283.347 1.838 20 10 CDCDRO CN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592478098 342699228 /nfs/dbraw/zinc/69/92/28/342699228.db2.gz WJPKTIIDOAOBLP-LBPRGKRZSA-N 1 0 284.363 1.996 20 10 CDCDRO Nc1ccc(CC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000037467367 356457678 /nfs/dbraw/zinc/45/76/78/356457678.db2.gz HIEQFWSPGIQWAS-UHFFFAOYSA-N 1 0 275.396 1.804 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc(F)ccc1O ZINC000179969931 357233858 /nfs/dbraw/zinc/23/38/58/357233858.db2.gz WXKJMFNTDXSOCM-UHFFFAOYSA-N 1 0 255.289 1.916 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1O ZINC000180453157 357271105 /nfs/dbraw/zinc/27/11/05/357271105.db2.gz KBOFTHMFHXOPOG-OAHLLOKOSA-N 1 0 290.407 1.855 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H](C)O1 ZINC000188343047 357882957 /nfs/dbraw/zinc/88/29/57/357882957.db2.gz MZOUGFVIVGVQHL-DGCLKSJQSA-N 1 0 251.326 1.628 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1OC ZINC000189965090 358047021 /nfs/dbraw/zinc/04/70/21/358047021.db2.gz GOGZXZJZMHLZBR-UONOGXRCSA-N 1 0 281.352 1.658 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000192104470 358175239 /nfs/dbraw/zinc/17/52/39/358175239.db2.gz QVRAKNGTBIMOJF-VHSXEESVSA-N 1 0 267.348 1.491 20 10 CDCDRO COC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000178692863 366496423 /nfs/dbraw/zinc/49/64/23/366496423.db2.gz JLASZALZOSKQTK-CQSZACIVSA-N 1 0 293.363 1.936 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC000437012269 361638530 /nfs/dbraw/zinc/63/85/30/361638530.db2.gz KTBDCRZJWAKAMW-AWEZNQCLSA-N 1 0 289.379 1.572 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[NH2+]CC3CC3)ccc21 ZINC000269264617 364170045 /nfs/dbraw/zinc/17/00/45/364170045.db2.gz YJSYJAVWFHHRRO-UHFFFAOYSA-N 1 0 287.407 1.685 20 10 CDCDRO COc1cccc(C[N@H+](C)CCc2noc(C)n2)c1O ZINC000271173285 364958999 /nfs/dbraw/zinc/95/89/99/364958999.db2.gz MTMQJMYNQVSCFP-UHFFFAOYSA-N 1 0 277.324 1.767 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253999 365155266 /nfs/dbraw/zinc/15/52/66/365155266.db2.gz MBZOTFRTAGPLJN-YPMHNXCESA-N 1 0 290.363 1.647 20 10 CDCDRO C[C@](O)(C[NH2+]Cc1cc(F)ccc1O)C(F)(F)F ZINC000272527470 365278067 /nfs/dbraw/zinc/27/80/67/365278067.db2.gz ZEFFZBAZBLTAPU-JTQLQIEISA-N 1 0 267.222 1.934 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)c(O)c1 ZINC000282568711 367945079 /nfs/dbraw/zinc/94/50/79/367945079.db2.gz FGOOGCAWRCYXRJ-NSHDSACASA-N 1 0 298.358 1.745 20 10 CDCDRO [NH3+]C1(C(=O)NCc2ccc(O)cc2O)CCCCC1 ZINC001580139473 1172358539 /nfs/dbraw/zinc/35/85/39/1172358539.db2.gz YABVJVHHBUCNJM-UHFFFAOYSA-N 1 0 264.325 1.376 20 10 CDCDRO Cc1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1N(C)C ZINC000292882380 370429311 /nfs/dbraw/zinc/42/93/11/370429311.db2.gz UGMIEFRCQCYMGK-CQSZACIVSA-N 1 0 288.395 1.270 20 10 CDCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000122754358 374655681 /nfs/dbraw/zinc/65/56/81/374655681.db2.gz FPOOSGTWBWQBEB-VOJFVSQTSA-N 1 0 267.394 1.868 20 10 CDCDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000295848955 378711326 /nfs/dbraw/zinc/71/13/26/378711326.db2.gz DTRYDYYKFZMENX-BNOWGMLFSA-N 1 0 294.370 1.836 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000228941428 679827726 /nfs/dbraw/zinc/82/77/26/679827726.db2.gz MHHBALQZEHLYDG-LLVKDONJSA-N 1 0 280.368 1.794 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000118963251 390836959 /nfs/dbraw/zinc/83/69/59/390836959.db2.gz FAURFZADOUOJJG-ZDUSSCGKSA-N 1 0 276.380 1.967 20 10 CDCDRO CC(C)COC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000121144488 390880991 /nfs/dbraw/zinc/88/09/91/390880991.db2.gz ASWLYEGEROAPGM-CQSZACIVSA-N 1 0 267.369 1.858 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)CC[NH+](C)C)cc1F ZINC000176285895 391149889 /nfs/dbraw/zinc/14/98/89/391149889.db2.gz HOIMPWHDCGKVQY-UHFFFAOYSA-N 1 0 296.390 1.595 20 10 CDCDRO COCCCOCC[N@H+](C)Cc1cccc(OC)c1O ZINC000181525317 391224543 /nfs/dbraw/zinc/22/45/43/391224543.db2.gz XOHWNMKMLQWHBU-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO Cc1ccc(C(=O)N(C)CC[NH+](C)C)c(O)c1O ZINC000182547018 391236960 /nfs/dbraw/zinc/23/69/60/391236960.db2.gz MXQWHZAAQULIOH-UHFFFAOYSA-N 1 0 252.314 1.040 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000179569820 391212026 /nfs/dbraw/zinc/21/20/26/391212026.db2.gz JTXUEGCRGYKBBP-INIZCTEOSA-N 1 0 278.396 1.726 20 10 CDCDRO CN(C)c1ncc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000271147160 391288790 /nfs/dbraw/zinc/28/87/90/391288790.db2.gz ZFHUEHJABBTMOH-UHFFFAOYSA-N 1 0 272.352 1.880 20 10 CDCDRO COc1c(O)c(C[N@H+](CCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000278392072 286186748 /nfs/dbraw/zinc/18/67/48/286186748.db2.gz MXLAQXFMPCPRKI-UHFFFAOYSA-N 1 0 296.323 1.656 20 10 CDCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCCn2nccc21 ZINC000662789514 413503047 /nfs/dbraw/zinc/50/30/47/413503047.db2.gz YKJWGPQHIYMPPL-UHFFFAOYSA-N 1 0 282.347 1.579 20 10 CDCDRO CCN(CCC[NH2+]Cc1ccccc1O)S(C)(=O)=O ZINC000038035331 174034238 /nfs/dbraw/zinc/03/42/38/174034238.db2.gz PZCSAQOSTJWKRU-UHFFFAOYSA-N 1 0 286.397 1.153 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000072313433 176368388 /nfs/dbraw/zinc/36/83/88/176368388.db2.gz XKWCXMFPLSKWFD-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO O=C(c1cccc(O)c1O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000126403820 260351242 /nfs/dbraw/zinc/35/12/42/260351242.db2.gz BNEVFHOJQNOANC-LBPRGKRZSA-N 1 0 290.363 1.798 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000157936465 261156395 /nfs/dbraw/zinc/15/63/95/261156395.db2.gz WOMUSCKGKJFYFL-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C1CC1 ZINC000105488054 261359035 /nfs/dbraw/zinc/35/90/35/261359035.db2.gz SFXJSOLNPDBJEG-SNVBAGLBSA-N 1 0 278.352 1.693 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(F)ccc1O ZINC000186178744 262083813 /nfs/dbraw/zinc/08/38/13/262083813.db2.gz WKWJYJPCVAVJCC-RNCFNFMXSA-N 1 0 255.289 1.333 20 10 CDCDRO CC[N@H+](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000186433798 262093419 /nfs/dbraw/zinc/09/34/19/262093419.db2.gz BIRPISZMHUCHCR-NSHDSACASA-N 1 0 292.379 1.629 20 10 CDCDRO NC(=O)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000368133710 267147660 /nfs/dbraw/zinc/14/76/60/267147660.db2.gz KCGUTHSHYMNIAM-SECBINFHSA-N 1 0 268.744 1.743 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1F ZINC000372445539 267566255 /nfs/dbraw/zinc/56/62/55/267566255.db2.gz KEWCIIBDISKLES-WBMJQRKESA-N 1 0 291.370 1.508 20 10 CDCDRO CC[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+](C)C ZINC000298663268 276541503 /nfs/dbraw/zinc/54/15/03/276541503.db2.gz SYQBODPYQKVBRN-CYBMUJFWSA-N 1 0 291.395 1.818 20 10 CDCDRO CCOc1cccc(CN(CC)CC(=O)OC)c1O ZINC000271138072 328195380 /nfs/dbraw/zinc/19/53/80/328195380.db2.gz AVFKOHCSBYDWFB-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000289561377 328255444 /nfs/dbraw/zinc/25/54/44/328255444.db2.gz LAHHIRWOCQLBMZ-HIFRSBDPSA-N 1 0 276.380 1.985 20 10 CDCDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000077458048 326923556 /nfs/dbraw/zinc/92/35/56/326923556.db2.gz QLPZILQWGLVOHX-STQMWFEESA-N 1 0 283.393 1.838 20 10 CDCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000280898844 327595162 /nfs/dbraw/zinc/59/51/62/327595162.db2.gz FQKOHELTOZXLAD-SNVBAGLBSA-N 1 0 269.366 1.620 20 10 CDCDRO CC[C@@]1(C(=O)NCCc2ccc(N)cc2)CC[NH2+]C1 ZINC000378221696 329043279 /nfs/dbraw/zinc/04/32/79/329043279.db2.gz LXUGFXQFXXHNGX-OAHLLOKOSA-N 1 0 261.369 1.317 20 10 CDCDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(N)cc1 ZINC000251825876 334370491 /nfs/dbraw/zinc/37/04/91/334370491.db2.gz PFTWSXAKJXMKFB-WFASDCNBSA-N 1 0 273.380 1.506 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690792660 1159452272 /nfs/dbraw/zinc/45/22/72/1159452272.db2.gz WJGMWHOOLWDKGB-JQWIXIFHSA-N 1 0 251.301 2.000 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000278782413 521652881 /nfs/dbraw/zinc/65/28/81/521652881.db2.gz VSEMXYWQLHBWRM-UHFFFAOYSA-N 1 0 281.352 1.420 20 10 CDCDRO CN(CC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000211494851 521748355 /nfs/dbraw/zinc/74/83/55/521748355.db2.gz NYUSMPXDIXZAOU-UHFFFAOYSA-N 1 0 252.314 1.114 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000299213756 522187221 /nfs/dbraw/zinc/18/72/21/522187221.db2.gz HTMUTICKWWNGBF-UHFFFAOYSA-N 1 0 275.396 1.853 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)OCCO)cc1F ZINC000288326839 522204399 /nfs/dbraw/zinc/20/43/99/522204399.db2.gz AGNLLTMVPVJOII-UHFFFAOYSA-N 1 0 284.375 1.769 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@@H]1CCCO1 ZINC000278699462 522360012 /nfs/dbraw/zinc/36/00/12/522360012.db2.gz QQRUZCDWOGJOGQ-HIFRSBDPSA-N 1 0 265.353 1.984 20 10 CDCDRO COC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)OC ZINC000227705570 522679012 /nfs/dbraw/zinc/67/90/12/522679012.db2.gz LSNOFGLMECVSFL-ZDUSSCGKSA-N 1 0 251.326 1.373 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1OC ZINC000279426857 522781856 /nfs/dbraw/zinc/78/18/56/522781856.db2.gz NUQHWTBVRMFIIR-BMIGLBTASA-N 1 0 297.351 1.039 20 10 CDCDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc(O)c1O ZINC000280596055 522813332 /nfs/dbraw/zinc/81/33/32/522813332.db2.gz XUWRTERRTSAYOX-UHFFFAOYSA-N 1 0 264.325 1.264 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289463687 523594760 /nfs/dbraw/zinc/59/47/60/523594760.db2.gz ACNSJPLNGSBQGT-CABCVRRESA-N 1 0 275.396 1.757 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1C ZINC000280249342 524071329 /nfs/dbraw/zinc/07/13/29/524071329.db2.gz ITDGDKVHLLSVQL-GJZGRUSLSA-N 1 0 279.380 1.738 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1C ZINC000227974375 524071898 /nfs/dbraw/zinc/07/18/98/524071898.db2.gz OOONTUDXISDCTJ-WFASDCNBSA-N 1 0 265.353 1.633 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000280987080 524432585 /nfs/dbraw/zinc/43/25/85/524432585.db2.gz WQVIZSBCUOCAJM-KBPBESRZSA-N 1 0 265.353 1.435 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000141905203 524745692 /nfs/dbraw/zinc/74/56/92/524745692.db2.gz HWPBPNQYOCGADZ-TXEJJXNPSA-N 1 0 264.369 1.925 20 10 CDCDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880085 524961682 /nfs/dbraw/zinc/96/16/82/524961682.db2.gz SWZXYVCPMIYEMP-JTQLQIEISA-N 1 0 275.308 1.496 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCN2CCCOCC2)cc1C ZINC000289468979 525322304 /nfs/dbraw/zinc/32/23/04/525322304.db2.gz PEVTXZHLNFOOPS-UHFFFAOYSA-N 1 0 278.396 1.821 20 10 CDCDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1O ZINC000289815532 525347415 /nfs/dbraw/zinc/34/74/15/525347415.db2.gz ORVBCLPPPRECML-NSHDSACASA-N 1 0 276.340 1.217 20 10 CDCDRO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000126250807 526255055 /nfs/dbraw/zinc/25/50/55/526255055.db2.gz LZCBGAQTEBDTSR-ZDUSSCGKSA-N 1 0 298.390 1.923 20 10 CDCDRO O=C([C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1)N1CCCC1 ZINC000290542245 526547964 /nfs/dbraw/zinc/54/79/64/526547964.db2.gz RHIGDXHJQXSBHR-LBPRGKRZSA-N 1 0 292.354 1.976 20 10 CDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000368975408 526986115 /nfs/dbraw/zinc/98/61/15/526986115.db2.gz RAYGUIVNLZQVMN-QKCSRTOESA-N 1 0 260.337 1.478 20 10 CDCDRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000290568487 527300243 /nfs/dbraw/zinc/30/02/43/527300243.db2.gz SXLCHSPXMGDOJM-JTQLQIEISA-N 1 0 287.356 1.446 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000037023766 527478059 /nfs/dbraw/zinc/47/80/59/527478059.db2.gz OKOZGXCUJNMHTE-HUUCEWRRSA-N 1 0 273.380 1.554 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC000729528931 574815298 /nfs/dbraw/zinc/81/52/98/574815298.db2.gz LSSZIDWBDAZMLM-GFCCVEGCSA-N 1 0 279.359 1.460 20 10 CDCDRO C[C@H](CNC(=O)C1=CC(=O)CS1)[N@H+](C)C1CC1 ZINC000732284797 575086881 /nfs/dbraw/zinc/08/68/81/575086881.db2.gz CBKDHQMQRUBDGL-MRVPVSSYSA-N 1 0 254.355 1.666 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000773816558 575839117 /nfs/dbraw/zinc/83/91/17/575839117.db2.gz LADAOLJRPRZRFL-GJZGRUSLSA-N 1 0 264.369 1.070 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCNC2=O)cc1 ZINC000773810953 575839341 /nfs/dbraw/zinc/83/93/41/575839341.db2.gz QJCNGXTXNISZRL-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO CCOc1ccc(C[NH+]2CCN(CCOC)CC2)c(O)c1 ZINC000768220952 576265560 /nfs/dbraw/zinc/26/55/60/576265560.db2.gz VDDRYGCCDPNTSC-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCCCO1 ZINC000768442603 576283267 /nfs/dbraw/zinc/28/32/67/576283267.db2.gz MHRZRFJEGKCEAP-SWLSCSKDSA-N 1 0 293.363 1.819 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000761222495 576561056 /nfs/dbraw/zinc/56/10/56/576561056.db2.gz JMTCSJRTPRTJQD-ZIAGYGMSSA-N 1 0 265.353 1.984 20 10 CDCDRO CN(CCCN1CC[NH+](C)CC1)C(=O)C1=CC(=O)CS1 ZINC000743487339 576642384 /nfs/dbraw/zinc/64/23/84/576642384.db2.gz CCPHZFKTTNAWGG-UHFFFAOYSA-N 1 0 297.424 1.163 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756659289 576998960 /nfs/dbraw/zinc/99/89/60/576998960.db2.gz COIUSXHYBBFEKV-QXFUBDJGSA-N 1 0 266.316 1.933 20 10 CDCDRO CC1(C)OCC([NH2+]Cc2cc3c(cc2O)OCO3)CO1 ZINC000758009922 577067051 /nfs/dbraw/zinc/06/70/51/577067051.db2.gz CNOYOPTXRSKBEC-UHFFFAOYSA-N 1 0 281.308 1.362 20 10 CDCDRO Cc1cc(C(=O)NCC[NH+]2CCC2)c(C)n1-c1ccccn1 ZINC000752296565 577097908 /nfs/dbraw/zinc/09/79/08/577097908.db2.gz VEKKDJCWGREVKQ-UHFFFAOYSA-N 1 0 298.390 1.925 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000759174490 577157371 /nfs/dbraw/zinc/15/73/71/577157371.db2.gz UFJPWOARZHGPFE-XHDPSFHLSA-N 1 0 295.335 1.405 20 10 CDCDRO CC1(C)C[N@H+](Cc2ccccc2O)CCN1CCO ZINC000783714159 679860681 /nfs/dbraw/zinc/86/06/81/679860681.db2.gz NSQCBWPLYWWJEV-UHFFFAOYSA-N 1 0 264.369 1.281 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CCO)cc1OC ZINC000779202639 617412418 /nfs/dbraw/zinc/41/24/18/617412418.db2.gz RFONORADUBCHTR-LBPRGKRZSA-N 1 0 281.352 1.756 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000892146195 617506549 /nfs/dbraw/zinc/50/65/49/617506549.db2.gz NTFIZIKSOMHCAX-UTLUCORTSA-N 1 0 251.330 1.488 20 10 CDCDRO CC[NH2+]CC1CC(NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC000962035861 615082583 /nfs/dbraw/zinc/08/25/83/615082583.db2.gz CXBVEIXLIGSRQU-UHFFFAOYSA-N 1 0 293.367 1.217 20 10 CDCDRO C[C@H](NC(=O)NCCC(C)(C)[NH3+])c1ccccc1O ZINC000892847971 617821085 /nfs/dbraw/zinc/82/10/85/617821085.db2.gz SHHKGYBRGOGJJI-JTQLQIEISA-N 1 0 265.357 1.880 20 10 CDCDRO CC(C)(CC[NH2+]Cc1cc(F)ccc1O)S(C)(=O)=O ZINC000840960030 617837687 /nfs/dbraw/zinc/83/76/87/617837687.db2.gz BUGFDJIFMJZMPS-UHFFFAOYSA-N 1 0 289.372 1.834 20 10 CDCDRO COc1ccc(C[NH2+]C2COC(C)(C)OC2)c(O)c1OC ZINC000893569150 618138676 /nfs/dbraw/zinc/13/86/76/618138676.db2.gz NAYBUQVSOPZCAS-UHFFFAOYSA-N 1 0 297.351 1.651 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000894016321 618248030 /nfs/dbraw/zinc/24/80/30/618248030.db2.gz AXUUVIRWBXVYCU-AWEZNQCLSA-N 1 0 295.379 1.683 20 10 CDCDRO COc1ccc(C[N@H+](C)CCCO)c(O)c1OC ZINC000894254095 618269472 /nfs/dbraw/zinc/26/94/72/618269472.db2.gz DTWMLOKXJGNAQC-UHFFFAOYSA-N 1 0 255.314 1.224 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)ccnc2N)c1 ZINC000894259366 618315099 /nfs/dbraw/zinc/31/50/99/618315099.db2.gz DRNZZFRPKRVEMS-UHFFFAOYSA-N 1 0 273.336 1.976 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCOC2)c1O ZINC000894173011 618655487 /nfs/dbraw/zinc/65/54/87/618655487.db2.gz DIXIBZYLCCZBAY-NSHDSACASA-N 1 0 251.326 1.835 20 10 CDCDRO COCCOCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894202462 618694927 /nfs/dbraw/zinc/69/49/27/618694927.db2.gz HTVVGQSEXYMUAK-UHFFFAOYSA-N 1 0 269.341 1.462 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(O)CCOCC2)c1O ZINC000894236481 618742064 /nfs/dbraw/zinc/74/20/64/618742064.db2.gz UDHUATIUISYZBQ-UHFFFAOYSA-N 1 0 281.352 1.340 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C=O)CC2)c1 ZINC000894501644 618927675 /nfs/dbraw/zinc/92/76/75/618927675.db2.gz DYQNFSMSAUCQLU-NSHDSACASA-N 1 0 278.352 1.672 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000894783254 619058579 /nfs/dbraw/zinc/05/85/79/619058579.db2.gz RSGVNCYXVKAMGR-NSHDSACASA-N 1 0 278.352 1.420 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c1OC ZINC000895146121 619353471 /nfs/dbraw/zinc/35/34/71/619353471.db2.gz BKHUMHUGRNQDLG-UTUOFQBUSA-N 1 0 279.336 1.819 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2cc(C)cc(OC)c2O)CC1=O ZINC000895148385 619357126 /nfs/dbraw/zinc/35/71/26/619357126.db2.gz GSJZWDIKMZKEKA-GFCCVEGCSA-N 1 0 292.379 1.667 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895317424 619543442 /nfs/dbraw/zinc/54/34/42/619543442.db2.gz NPCSGXRYSUOYBM-KLPPZKSPSA-N 1 0 279.336 1.750 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895322508 619556607 /nfs/dbraw/zinc/55/66/07/619556607.db2.gz UEDGSLQTEHNVHT-CQSZACIVSA-N 1 0 275.396 1.675 20 10 CDCDRO COc1cccc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1O ZINC000896115641 619989068 /nfs/dbraw/zinc/98/90/68/619989068.db2.gz HMDQTDXGEPKJRF-LBPRGKRZSA-N 1 0 292.379 1.890 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCO[C@H]1CCOC1 ZINC000897201740 620414287 /nfs/dbraw/zinc/41/42/87/620414287.db2.gz MFZLRVOCHVAGKT-LBPRGKRZSA-N 1 0 251.326 1.596 20 10 CDCDRO CCCNC(=O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000035134120 620981106 /nfs/dbraw/zinc/98/11/06/620981106.db2.gz MIFOBRDZVBQPOU-UHFFFAOYSA-N 1 0 291.395 1.139 20 10 CDCDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000841760234 621018094 /nfs/dbraw/zinc/01/80/94/621018094.db2.gz JHJFJMHFFQBNMV-NSHDSACASA-N 1 0 294.374 1.395 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC000897684436 621072115 /nfs/dbraw/zinc/07/21/15/621072115.db2.gz OYSIBEFBCCBQRY-PRHODGIISA-N 1 0 286.169 1.967 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897684048 621072477 /nfs/dbraw/zinc/07/24/77/621072477.db2.gz JXGBVSSGDVOKPB-CMPLNLGQSA-N 1 0 251.326 1.604 20 10 CDCDRO CN(C)c1ccc(CN2CC(N3CCCC3=O)C2)cc1 ZINC000897788979 621123801 /nfs/dbraw/zinc/12/38/01/621123801.db2.gz CWBPGEYQZXZJJP-UHFFFAOYSA-N 1 0 273.380 1.559 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CN)CC(C)C)c1O ZINC000841038892 621532100 /nfs/dbraw/zinc/53/21/00/621532100.db2.gz TXKDHTMSIWHHRE-LBPRGKRZSA-N 1 0 252.358 1.864 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC2)[NH+](C)C)cc1 ZINC000899102988 622046582 /nfs/dbraw/zinc/04/65/82/622046582.db2.gz UCXLBRRQSJNNGI-HNNXBMFYSA-N 1 0 290.411 1.771 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000902525728 624926740 /nfs/dbraw/zinc/92/67/40/624926740.db2.gz YYWCZDIUUGKCHR-GFCCVEGCSA-N 1 0 298.408 1.119 20 10 CDCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910951106 629115659 /nfs/dbraw/zinc/11/56/59/629115659.db2.gz BHPNSAWIJWDKMJ-ZDUSSCGKSA-N 1 0 278.352 1.588 20 10 CDCDRO COCCNCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000817964826 633057646 /nfs/dbraw/zinc/05/76/46/633057646.db2.gz KLPJZISKBZDWCP-GFCCVEGCSA-N 1 0 252.358 1.587 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC000840937195 682817664 /nfs/dbraw/zinc/81/76/64/682817664.db2.gz PNSZTGPNBSNVSF-OAHLLOKOSA-N 1 0 266.385 1.812 20 10 CDCDRO C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1ccccc1O ZINC000877255869 683610323 /nfs/dbraw/zinc/61/03/23/683610323.db2.gz JBTJXIMWSUZDSS-MDZLAQPJSA-N 1 0 262.353 1.958 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000211444952 683865408 /nfs/dbraw/zinc/86/54/08/683865408.db2.gz POFULJBYBDNVSX-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000394026969 683884318 /nfs/dbraw/zinc/88/43/18/683884318.db2.gz FVIQVFGSLLBMNY-LBPRGKRZSA-N 1 0 253.342 1.755 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)COCC1CC1)CC2 ZINC000834552201 679706386 /nfs/dbraw/zinc/70/63/86/679706386.db2.gz XOVVRHPRTVVZHK-UONOGXRCSA-N 1 0 277.364 1.757 20 10 CDCDRO O=C(NCc1ccccc1O)[C@H]1C[NH2+]CCC1(F)F ZINC000717384847 679742064 /nfs/dbraw/zinc/74/20/64/679742064.db2.gz UMDAGSGYDGKAIL-SNVBAGLBSA-N 1 0 270.279 1.253 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1C ZINC000706727147 679746331 /nfs/dbraw/zinc/74/63/31/679746331.db2.gz KPLGJXZKLYRWFL-CHWSQXEVSA-N 1 0 251.326 1.243 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000821064756 679748899 /nfs/dbraw/zinc/74/88/99/679748899.db2.gz GYFNZJQSOCDVAG-NXEZZACHSA-N 1 0 266.341 1.528 20 10 CDCDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(O)c1O ZINC000177680866 679749111 /nfs/dbraw/zinc/74/91/11/679749111.db2.gz LKMJPOQDDKUELS-LLVKDONJSA-N 1 0 278.352 1.572 20 10 CDCDRO CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988763 679771519 /nfs/dbraw/zinc/77/15/19/679771519.db2.gz ZASCADMLFSJWFF-MNOVXSKESA-N 1 0 250.342 1.958 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000076275562 679776348 /nfs/dbraw/zinc/77/63/48/679776348.db2.gz VKWARKRSAKDUEJ-LBPRGKRZSA-N 1 0 264.369 1.118 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC(=O)NC1CCCC1 ZINC000877009798 679794635 /nfs/dbraw/zinc/79/46/35/679794635.db2.gz APKMROPQBUYKQP-UHFFFAOYSA-N 1 0 262.353 1.849 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CO)c(C(F)(F)F)c1 ZINC000793170658 679780073 /nfs/dbraw/zinc/78/00/73/679780073.db2.gz TXEZBNHALSZRJK-LLVKDONJSA-N 1 0 292.301 1.214 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c(O)c1 ZINC000877025282 679794803 /nfs/dbraw/zinc/79/48/03/679794803.db2.gz FWUJRPHNVCHCOP-KBPBESRZSA-N 1 0 278.396 1.899 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000812300554 679802031 /nfs/dbraw/zinc/80/20/31/679802031.db2.gz YEISYNBKDLJXAS-AWEZNQCLSA-N 1 0 295.379 1.947 20 10 CDCDRO COC[C@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000933331192 679805292 /nfs/dbraw/zinc/80/52/92/679805292.db2.gz LJTDSAUIPJUPBM-HNNXBMFYSA-N 1 0 264.369 1.600 20 10 CDCDRO CC[C@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873126549 679814979 /nfs/dbraw/zinc/81/49/79/679814979.db2.gz ABUJTCCIICQZOD-HNNXBMFYSA-N 1 0 289.379 1.801 20 10 CDCDRO COc1cccc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1O ZINC000211639723 679817156 /nfs/dbraw/zinc/81/71/56/679817156.db2.gz WOEUHVVZZSFXLZ-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)C[NH3+] ZINC000841826163 679826588 /nfs/dbraw/zinc/82/65/88/679826588.db2.gz DMAIHEMZYHGXBF-UHFFFAOYSA-N 1 0 278.400 1.598 20 10 CDCDRO COc1cccc(C[NH+]2CC(C(C)(C)O)C2)c1O ZINC000839139991 679739483 /nfs/dbraw/zinc/73/94/83/679739483.db2.gz MWJGROBCDMOEIF-UHFFFAOYSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CNCCO2)c1 ZINC000817983590 679843346 /nfs/dbraw/zinc/84/33/46/679843346.db2.gz OMOJXNAITSHTFS-ZYHUDNBSSA-N 1 0 266.341 1.040 20 10 CDCDRO Oc1c(C[NH2+]C[C@H](O)Cn2ccnn2)ccc2ccccc21 ZINC000839181585 679852590 /nfs/dbraw/zinc/85/25/90/679852590.db2.gz YVURUTNGUZNABA-AWEZNQCLSA-N 1 0 298.346 1.288 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000846166590 679854980 /nfs/dbraw/zinc/85/49/80/679854980.db2.gz AKAORRAZTRXVBF-YNEHKIRRSA-N 1 0 295.379 1.696 20 10 CDCDRO CC[N@H+](CC(N)=O)Cc1cc(Cl)c(C)cc1O ZINC000825671780 679860768 /nfs/dbraw/zinc/86/07/68/679860768.db2.gz PFXFTNBOENPYKX-UHFFFAOYSA-N 1 0 256.733 1.661 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000724897787 679863289 /nfs/dbraw/zinc/86/32/89/679863289.db2.gz VHIBENAWEVOFRZ-TZMCWYRMSA-N 1 0 251.326 1.594 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922939094 679873925 /nfs/dbraw/zinc/87/39/25/679873925.db2.gz LHGBPZRRNOXRQZ-GFCCVEGCSA-N 1 0 271.744 1.941 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000858586274 682022526 /nfs/dbraw/zinc/02/25/26/682022526.db2.gz BWNDYASCQSHKSA-GHMZBOCLSA-N 1 0 266.341 1.760 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000852883439 681215486 /nfs/dbraw/zinc/21/54/86/681215486.db2.gz DVYNVRQCMTZNPJ-GUBZILKMSA-N 1 0 264.325 1.315 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCN1C(=O)CCC1=O ZINC000843349762 681515626 /nfs/dbraw/zinc/51/56/26/681515626.db2.gz ASQVGRBYQKDJPK-UHFFFAOYSA-N 1 0 287.363 1.047 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCOCC1(C)C ZINC000877147887 681625738 /nfs/dbraw/zinc/62/57/38/681625738.db2.gz CQECDHNTMQLDMK-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083794723 681648565 /nfs/dbraw/zinc/64/85/65/681648565.db2.gz FTTPWYGVWZWZRL-SECBINFHSA-N 1 0 289.784 1.712 20 10 CDCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824709947 681806411 /nfs/dbraw/zinc/80/64/11/681806411.db2.gz TUNJIXXLECZYLC-ZBFHGGJFSA-N 1 0 277.364 1.763 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000062894666 681839998 /nfs/dbraw/zinc/83/99/98/681839998.db2.gz BPVFIKJLLOSKCF-MRXNPFEDSA-N 1 0 275.396 1.711 20 10 CDCDRO C[C@@H](Cn1ccnc1)NC(=O)c1cccc(O)c1O ZINC000126307952 681841340 /nfs/dbraw/zinc/84/13/40/681841340.db2.gz JDQDMAGOXCLXBP-VIFPVBQESA-N 1 0 261.281 1.113 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000322675410 681880561 /nfs/dbraw/zinc/88/05/61/681880561.db2.gz GUPOLWANQMXJEZ-LLVKDONJSA-N 1 0 250.342 1.618 20 10 CDCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000777219936 681896792 /nfs/dbraw/zinc/89/67/92/681896792.db2.gz OHTFBGRSILLOPY-GJZGRUSLSA-N 1 0 295.379 1.611 20 10 CDCDRO Oc1cc2c(cc1CN1CC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000843120429 681901591 /nfs/dbraw/zinc/90/15/91/681901591.db2.gz KMSFNPDKCZZYBL-OAHLLOKOSA-N 1 0 276.336 1.306 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775103447 681934803 /nfs/dbraw/zinc/93/48/03/681934803.db2.gz XZMIYRPTVSLQHY-WCBMZHEXSA-N 1 0 282.296 1.264 20 10 CDCDRO COc1ccc(C[NH2+]C2(C)COC2)cc1Cn1cccn1 ZINC000877691898 681955429 /nfs/dbraw/zinc/95/54/29/681955429.db2.gz XASKBGFTTSVAMG-UHFFFAOYSA-N 1 0 287.363 1.819 20 10 CDCDRO COc1cc(C)cc(CN2CC(=O)N[C@H](C)C2)c1O ZINC000840134839 682019334 /nfs/dbraw/zinc/01/93/34/682019334.db2.gz UDIXARGUZMWOLF-SNVBAGLBSA-N 1 0 264.325 1.030 20 10 CDCDRO COCC[N@H+](CC(=O)N(C)C)Cc1cccc(C)c1O ZINC000179751375 682159475 /nfs/dbraw/zinc/15/94/75/682159475.db2.gz ZDRVXVHPIANITK-UHFFFAOYSA-N 1 0 280.368 1.237 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000877072968 682178819 /nfs/dbraw/zinc/17/88/19/682178819.db2.gz ZMKAYEBSKJMXIZ-CQSZACIVSA-N 1 0 261.325 1.257 20 10 CDCDRO CC(C)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037495144 682237773 /nfs/dbraw/zinc/23/77/73/682237773.db2.gz DDSYLMOUNUJJTJ-UHFFFAOYSA-N 1 0 263.385 1.709 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000857083950 682253997 /nfs/dbraw/zinc/25/39/97/682253997.db2.gz CAZCBRIBXGJPCG-WCQYABFASA-N 1 0 262.353 1.972 20 10 CDCDRO COc1cccc(C[NH2+]C[C@]2(C)CCOC2)c1O ZINC000397279721 682283209 /nfs/dbraw/zinc/28/32/09/682283209.db2.gz HJSGSEMHVRPLHY-AWEZNQCLSA-N 1 0 251.326 1.917 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000793710333 682309765 /nfs/dbraw/zinc/30/97/65/682309765.db2.gz RWBJNEWVGXJEMI-CYBMUJFWSA-N 1 0 297.420 1.876 20 10 CDCDRO C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817895837 682366749 /nfs/dbraw/zinc/36/67/49/682366749.db2.gz WVIWSHHLLDLPOF-PBHICJAKSA-N 1 0 289.423 1.753 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC[S@](C)=O ZINC000840934689 682396020 /nfs/dbraw/zinc/39/60/20/682396020.db2.gz VPRVVWQZCQBYAG-SFHVURJKSA-N 1 0 268.426 1.919 20 10 CDCDRO CCC[NH2+]CCNCc1cc2c(cc1O)OCO2 ZINC000841046743 682397302 /nfs/dbraw/zinc/39/73/02/682397302.db2.gz MFCXCEFXLIBJHY-UHFFFAOYSA-N 1 0 252.314 1.210 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[NH2+]C(C)C)c1 ZINC000852801961 682469035 /nfs/dbraw/zinc/46/90/35/682469035.db2.gz HGDDJYXIEKHWPM-JTQLQIEISA-N 1 0 266.341 1.576 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000858549109 682550240 /nfs/dbraw/zinc/55/02/40/682550240.db2.gz SDZPHOSELVXRKB-VXGBXAGGSA-N 1 0 280.368 1.118 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000180010350 682605319 /nfs/dbraw/zinc/60/53/19/682605319.db2.gz JJQGRVUYANTFEZ-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO CCOc1ccc(C[N@H+](CCO)C2CCOCC2)c(O)c1 ZINC000783718288 682620132 /nfs/dbraw/zinc/62/01/32/682620132.db2.gz QDBLUCJRXGHUKB-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCC2)c1 ZINC000775362679 682621770 /nfs/dbraw/zinc/62/17/70/682621770.db2.gz HLTYRTYNDQWLQI-SNVBAGLBSA-N 1 0 264.325 1.284 20 10 CDCDRO CCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1=O ZINC000708695613 682700388 /nfs/dbraw/zinc/70/03/88/682700388.db2.gz KPMPLTUHUIIPPW-MFKMUULPSA-N 1 0 278.352 1.672 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC1CCCC1 ZINC000062801578 682746650 /nfs/dbraw/zinc/74/66/50/682746650.db2.gz ZAKIWSWVIWEYOO-UHFFFAOYSA-N 1 0 287.407 1.957 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000817982331 682808264 /nfs/dbraw/zinc/80/82/64/682808264.db2.gz CFRUJTMRIBTRSQ-JKSUJKDBSA-N 1 0 277.412 1.782 20 10 CDCDRO COCC(COC)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000824921843 682814395 /nfs/dbraw/zinc/81/43/95/682814395.db2.gz UAWIGKSLUQNMMR-UHFFFAOYSA-N 1 0 270.348 1.643 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000839191789 682846858 /nfs/dbraw/zinc/84/68/58/682846858.db2.gz FOGLLQZQSMLDKL-UONOGXRCSA-N 1 0 250.342 1.256 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCO2)c(O)c1C ZINC000817983605 682854714 /nfs/dbraw/zinc/85/47/14/682854714.db2.gz OOFIKZGLGXPUEF-STQMWFEESA-N 1 0 264.369 1.648 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCNc1cnccn1)CC2 ZINC000834625238 682857523 /nfs/dbraw/zinc/85/75/23/682857523.db2.gz WEQKBGRMTRATAM-GFCCVEGCSA-N 1 0 270.336 1.871 20 10 CDCDRO COc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000841928137 683130259 /nfs/dbraw/zinc/13/02/59/683130259.db2.gz RSXJMBZWVNFZHA-LLVKDONJSA-N 1 0 293.367 1.200 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000877515977 683133017 /nfs/dbraw/zinc/13/30/17/683133017.db2.gz AICAPHZSZHEQCR-GOEBONIOSA-N 1 0 290.407 1.996 20 10 CDCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941927 683185714 /nfs/dbraw/zinc/18/57/14/683185714.db2.gz UIVPZZZVTJWLPT-ZDUSSCGKSA-N 1 0 254.399 1.566 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CC(=O)N(C)OC)c1O ZINC000397539892 683235740 /nfs/dbraw/zinc/23/57/40/683235740.db2.gz SUWIOLGKXOCYHS-UHFFFAOYSA-N 1 0 288.731 1.164 20 10 CDCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000188678600 683333877 /nfs/dbraw/zinc/33/38/77/683333877.db2.gz KWZJYUSVLYKRCB-ZFWWWQNUSA-N 1 0 278.396 1.945 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000394590193 683400818 /nfs/dbraw/zinc/40/08/18/683400818.db2.gz IDZKMTRLWNKBOY-FZMZJTMJSA-N 1 0 253.342 1.749 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000848897608 683436079 /nfs/dbraw/zinc/43/60/79/683436079.db2.gz KBQPENUTVUCGCQ-AWEZNQCLSA-N 1 0 275.352 1.511 20 10 CDCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087006 683477700 /nfs/dbraw/zinc/47/77/00/683477700.db2.gz RJWCZYSHMOSRJJ-NSHDSACASA-N 1 0 270.760 1.514 20 10 CDCDRO CCOC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700821209 683527838 /nfs/dbraw/zinc/52/78/38/683527838.db2.gz VSIYCBXTSNKDTK-LLVKDONJSA-N 1 0 262.353 1.850 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000840935703 683561023 /nfs/dbraw/zinc/56/10/23/683561023.db2.gz AURSFZHLUFJUCW-HNNXBMFYSA-N 1 0 296.436 1.728 20 10 CDCDRO CCc1cccc(C[NH2+]CCS(C)(=O)=O)c1O ZINC000709424684 683613837 /nfs/dbraw/zinc/61/38/37/683613837.db2.gz URVLNGGPMHLAFT-UHFFFAOYSA-N 1 0 257.355 1.089 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](C)O)C2)cc1 ZINC000076360854 683638050 /nfs/dbraw/zinc/63/80/50/683638050.db2.gz QSVCHWLWSAHBMC-OLZOCXBDSA-N 1 0 264.369 1.492 20 10 CDCDRO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1CC[NH+](C)CC1 ZINC000882984433 683644077 /nfs/dbraw/zinc/64/40/77/683644077.db2.gz HSSQOIADSPEJOK-LLVKDONJSA-N 1 0 299.365 1.396 20 10 CDCDRO C[C@H](CCNC(=O)c1c(F)ccc(O)c1O)[NH+](C)C ZINC000857308233 683654473 /nfs/dbraw/zinc/65/44/73/683654473.db2.gz LHWKJIKYJTVILQ-MRVPVSSYSA-N 1 0 270.304 1.307 20 10 CDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CO ZINC000782135910 683693045 /nfs/dbraw/zinc/69/30/45/683693045.db2.gz MBNXVHRUVDEOEK-OAHLLOKOSA-N 1 0 266.385 1.316 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000858587407 683733164 /nfs/dbraw/zinc/73/31/64/683733164.db2.gz NLJAPNKYKNAZOH-DTWKUNHWSA-N 1 0 270.304 1.590 20 10 CDCDRO COc1ccc(O)c(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000841105284 683784424 /nfs/dbraw/zinc/78/44/24/683784424.db2.gz HVUQSRJFSXCJDM-OAHLLOKOSA-N 1 0 262.353 1.729 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCO[C@@H](COC)C2)c1O ZINC000705848749 683801560 /nfs/dbraw/zinc/80/15/60/683801560.db2.gz NGNXHSHXNJHAGV-CQSZACIVSA-N 1 0 265.353 1.802 20 10 CDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000825278554 683821568 /nfs/dbraw/zinc/82/15/68/683821568.db2.gz FHPSUBOKHAZVDS-KCJUWKMLSA-N 1 0 252.289 1.275 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000831203782 683822991 /nfs/dbraw/zinc/82/29/91/683822991.db2.gz ZROGDNPIQPIPCZ-MXWKQRLJSA-N 1 0 295.383 1.887 20 10 CDCDRO Cc1ccc(C[NH2+]CCCN2CCC(O)CC2)c(O)c1 ZINC000876966522 683836573 /nfs/dbraw/zinc/83/65/73/683836573.db2.gz SNUNITMQCWRJHJ-UHFFFAOYSA-N 1 0 278.396 1.637 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877028773 683861158 /nfs/dbraw/zinc/86/11/58/683861158.db2.gz DCYGBVSGFFTWON-LLVKDONJSA-N 1 0 271.382 1.613 20 10 CDCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922183268 683862244 /nfs/dbraw/zinc/86/22/44/683862244.db2.gz QHMKFVLZMCWAAD-HUUCEWRRSA-N 1 0 279.380 1.623 20 10 CDCDRO CN(C)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000397998090 683866707 /nfs/dbraw/zinc/86/67/07/683866707.db2.gz RFZZNLYJQRKKIK-UHFFFAOYSA-N 1 0 264.325 1.305 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCNC(=O)CC2)c1 ZINC000396729236 683876402 /nfs/dbraw/zinc/87/64/02/683876402.db2.gz COTRUJLGIVJINC-GHMZBOCLSA-N 1 0 278.352 1.720 20 10 CDCDRO C[C@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000078781995 683887367 /nfs/dbraw/zinc/88/73/67/683887367.db2.gz LCOQFISFMZZXLQ-ZDUSSCGKSA-N 1 0 264.369 1.384 20 10 CDCDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1O ZINC000876996136 683887947 /nfs/dbraw/zinc/88/79/47/683887947.db2.gz PSABIGXHDPULCW-WCQYABFASA-N 1 0 262.353 1.929 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000843045911 683899016 /nfs/dbraw/zinc/89/90/16/683899016.db2.gz LSURCZVODUNGJM-JQWIXIFHSA-N 1 0 278.352 1.823 20 10 CDCDRO C[NH+](C)CCNC(=O)NCCCSc1nccs1 ZINC000133875992 683921299 /nfs/dbraw/zinc/92/12/99/683921299.db2.gz UUCUGCGAXGILPW-UHFFFAOYSA-N 1 0 288.442 1.486 20 10 CDCDRO CC(=O)NCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858091329 683934121 /nfs/dbraw/zinc/93/41/21/683934121.db2.gz QBIMEJPPDKBTGC-UHFFFAOYSA-N 1 0 285.338 1.647 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)c1 ZINC000873258603 683936686 /nfs/dbraw/zinc/93/66/86/683936686.db2.gz SESVYALTGJQADY-CKYFFXLPSA-N 1 0 278.352 1.567 20 10 CDCDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861557718 683977913 /nfs/dbraw/zinc/97/79/13/683977913.db2.gz SXKCGYQJAMWPGW-ZDUSSCGKSA-N 1 0 290.411 1.775 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846144571 684083006 /nfs/dbraw/zinc/08/30/06/684083006.db2.gz LFWXUMYHDOSYFD-MNOVXSKESA-N 1 0 269.341 1.449 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000710946241 684085020 /nfs/dbraw/zinc/08/50/20/684085020.db2.gz PLEAKPZPTQTLGO-MRCXROJRSA-N 1 0 267.325 1.201 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@H]1CCCO1 ZINC000877490045 684137922 /nfs/dbraw/zinc/13/79/22/684137922.db2.gz SRNNHEBEILTVOI-DZGCQCFKSA-N 1 0 265.353 1.984 20 10 CDCDRO Oc1cc2c(cc1CN1CC[C@H]3CC[C@@H](C1)[NH2+]3)OCO2 ZINC000843054014 684145349 /nfs/dbraw/zinc/14/53/49/684145349.db2.gz BECPPZLQGSQNTC-NEPJUHHUSA-N 1 0 276.336 1.447 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2C[C@H](C(=O)OC)C2)c1O ZINC000827812187 684154751 /nfs/dbraw/zinc/15/47/51/684154751.db2.gz FJVHZSFRSJOCJJ-JOCQHMNTSA-N 1 0 263.337 1.996 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000827699120 684155364 /nfs/dbraw/zinc/15/53/64/684155364.db2.gz FFRGTTWZIBJZOE-XHDPSFHLSA-N 1 0 265.353 1.851 20 10 CDCDRO CCNC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000135728360 684164113 /nfs/dbraw/zinc/16/41/13/684164113.db2.gz RQCBSMQTWHHYPF-JTQLQIEISA-N 1 0 266.341 1.578 20 10 CDCDRO CCn1ccc(C[NH2+]Cc2cc(OC)ccc2O)n1 ZINC000840954261 684176857 /nfs/dbraw/zinc/17/68/57/684176857.db2.gz BFAKPRNEJLUSES-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(O)c1 ZINC000877628488 684184052 /nfs/dbraw/zinc/18/40/52/684184052.db2.gz IKZQDPSNUFPMKU-JSGCOSHPSA-N 1 0 274.364 1.801 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000877118474 684252316 /nfs/dbraw/zinc/25/23/16/684252316.db2.gz CFZSRUZWDDKPJH-LBPRGKRZSA-N 1 0 298.408 1.072 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000070175457 684266628 /nfs/dbraw/zinc/26/66/28/684266628.db2.gz KIRIKKWBIQMVND-BXUZGUMPSA-N 1 0 264.369 1.960 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCC(=O)N(C)C)c1O ZINC000846143340 684269731 /nfs/dbraw/zinc/26/97/31/684269731.db2.gz ZOWODVCTQIDTHK-JTQLQIEISA-N 1 0 266.341 1.530 20 10 CDCDRO COc1cccc(O)c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127749 684298048 /nfs/dbraw/zinc/29/80/48/684298048.db2.gz SXXMIESPAOAYDT-YPMHNXCESA-N 1 0 262.353 1.585 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000794379823 1162468947 /nfs/dbraw/zinc/46/89/47/1162468947.db2.gz XLWLDYZWUJRFMX-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO Cn1ccccc1=NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167423008 1158707996 /nfs/dbraw/zinc/70/79/96/1158707996.db2.gz JRJZQHHEOMRAEF-UHFFFAOYSA-N 1 0 296.418 1.878 20 10 CDCDRO C[C@@H]([NH2+]CCCC[NH3+])c1cc(C(=O)[O-])ccc1O ZINC001609776504 1165075869 /nfs/dbraw/zinc/07/58/69/1165075869.db2.gz BNKKCQOBABROIG-SECBINFHSA-N 1 0 252.314 1.480 20 10 CDCDRO O=C(NCc1cc(O)ccc1O)c1cccc2c1C[NH2+]C2 ZINC001580712138 1172519910 /nfs/dbraw/zinc/51/99/10/1172519910.db2.gz WNOMRBDURBAYQU-UHFFFAOYSA-N 1 0 284.315 1.631 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1ccccc1O ZINC001589968757 1173216496 /nfs/dbraw/zinc/21/64/96/1173216496.db2.gz VJFDQBXUDBOCMZ-JTQLQIEISA-N 1 0 296.334 1.818 20 10 CDCDRO COc1ccc(C[NH2+]CC(=O)NCC(C)C)cc1C ZINC000134636638 1175820517 /nfs/dbraw/zinc/82/05/17/1175820517.db2.gz FVYNZBWNJSLRGR-UHFFFAOYSA-N 1 0 264.369 1.865 20 10 CDCDRO CC[C@H](CNC(=O)COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753464939 1185221357 /nfs/dbraw/zinc/22/13/57/1185221357.db2.gz URVIJXGOOZUITK-CQSZACIVSA-N 1 0 294.395 1.634 20 10 CDCDRO C[C@@H](Cc1ccco1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258170235 1167429885 /nfs/dbraw/zinc/42/98/85/1167429885.db2.gz AOJSNSDIOKFCMC-BONVTDFDSA-N 1 0 277.320 1.945 20 10 CDCDRO CC(=O)N1CCC([N@H+](C)Cc2cc(O)c(O)cc2O)CC1 ZINC001233486036 912826546 /nfs/dbraw/zinc/82/65/46/912826546.db2.gz VOUYWZITZSDAQB-UHFFFAOYSA-N 1 0 294.351 1.246 20 10 CDCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092705630 902186189 /nfs/dbraw/zinc/18/61/89/902186189.db2.gz SKECFLNFGQAXOE-CYBMUJFWSA-N 1 0 292.379 1.891 20 10 CDCDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)cc2O)C1=O ZINC001272988375 921307052 /nfs/dbraw/zinc/30/70/52/921307052.db2.gz QDJAQCFMYHUECX-HNNXBMFYSA-N 1 0 276.336 1.295 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC000093814054 909358847 /nfs/dbraw/zinc/35/88/47/909358847.db2.gz PSIVCPGVBYJQOR-HNNXBMFYSA-N 1 0 279.336 1.786 20 10 CDCDRO CCN1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)CC1=O ZINC001172049314 911192166 /nfs/dbraw/zinc/19/21/66/911192166.db2.gz VPYZHLFUQDBQEJ-ZDUSSCGKSA-N 1 0 274.364 1.761 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179999 911438578 /nfs/dbraw/zinc/43/85/78/911438578.db2.gz QGDCHIXZUNPASO-KGLIPLIRSA-N 1 0 274.364 1.977 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])CC[C@H]1F ZINC001206174212 911908753 /nfs/dbraw/zinc/90/87/53/911908753.db2.gz MIQYWEPCUCWPRR-ZYHUDNBSSA-N 1 0 274.286 1.932 20 10 CDCDRO COc1cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc(O)c1O ZINC001236575643 915605591 /nfs/dbraw/zinc/60/55/91/915605591.db2.gz STHZWRFYONJLMP-UWVGGRQHSA-N 1 0 266.341 1.289 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@@]1(C)O ZINC001204275706 916504964 /nfs/dbraw/zinc/50/49/64/916504964.db2.gz AAGLTAIDMOBYCJ-IINYFYTJSA-N 1 0 251.326 1.691 20 10 CDCDRO CCC[N@H+]1C[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]2C1 ZINC001161176368 936376746 /nfs/dbraw/zinc/37/67/46/936376746.db2.gz TWMBTXPAXGSRIH-GASCZTMLSA-N 1 0 287.407 1.612 20 10 CDCDRO CCc1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206445320 916928979 /nfs/dbraw/zinc/92/89/79/916928979.db2.gz OFUNXMCPJJYZQF-QWHCGFSZSA-N 1 0 252.333 1.826 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCNC(=O)CC3)ccc21 ZINC001138355014 936525114 /nfs/dbraw/zinc/52/51/14/936525114.db2.gz YMVRPTPYEXJROT-UHFFFAOYSA-N 1 0 273.380 1.391 20 10 CDCDRO COc1cccc(C[N@H+]2CCC(=O)N(C)CC2)c1O ZINC000827359509 936589080 /nfs/dbraw/zinc/58/90/80/936589080.db2.gz OYIZLVXKKSZYHG-UHFFFAOYSA-N 1 0 264.325 1.065 20 10 CDCDRO COC[C@@H]1CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261297 936612016 /nfs/dbraw/zinc/61/20/16/936612016.db2.gz YFDNCRXTFPYKGW-AWEZNQCLSA-N 1 0 294.395 1.683 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001140055982 936674555 /nfs/dbraw/zinc/67/45/55/936674555.db2.gz CNKNQYMRFCYQFL-CYBMUJFWSA-N 1 0 289.310 1.975 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CCN1C ZINC001140184275 936684912 /nfs/dbraw/zinc/68/49/12/936684912.db2.gz QCZARLSGFMLUED-AWEZNQCLSA-N 1 0 292.379 1.298 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001140338179 936703019 /nfs/dbraw/zinc/70/30/19/936703019.db2.gz YORHPFPSUPXGNO-TVQRCGJNSA-N 1 0 271.744 1.221 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC001140619824 936731640 /nfs/dbraw/zinc/73/16/40/936731640.db2.gz QKJTWWXGHZDGFE-UHFFFAOYSA-N 1 0 278.352 1.975 20 10 CDCDRO COC(=O)C1(O)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140623193 936732173 /nfs/dbraw/zinc/73/21/73/936732173.db2.gz JZVMNILQTIWWFY-UHFFFAOYSA-N 1 0 279.336 1.201 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1O ZINC001140742805 936748684 /nfs/dbraw/zinc/74/86/84/936748684.db2.gz ZXXKRFZXPBGAFC-PWSUYJOCSA-N 1 0 251.326 1.609 20 10 CDCDRO Cc1c(O)ccc(C[N@H+](C)Cc2cncnc2)c1O ZINC001140749649 936749686 /nfs/dbraw/zinc/74/96/86/936749686.db2.gz HYRGZMMACYNJOM-UHFFFAOYSA-N 1 0 259.309 1.828 20 10 CDCDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccncn2)c1O ZINC001140750149 936750190 /nfs/dbraw/zinc/75/01/90/936750190.db2.gz WKYGOVMIDOYYCP-UHFFFAOYSA-N 1 0 259.309 1.828 20 10 CDCDRO CCOC(=O)CN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140948653 936782747 /nfs/dbraw/zinc/78/27/47/936782747.db2.gz SUSNWBQLDISTLC-UHFFFAOYSA-N 1 0 292.379 1.381 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c(O)c1 ZINC001140954433 936783612 /nfs/dbraw/zinc/78/36/12/936783612.db2.gz REQMGKBLEIUGJB-UHFFFAOYSA-N 1 0 274.364 1.945 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c(O)c1 ZINC001140954464 936783630 /nfs/dbraw/zinc/78/36/30/936783630.db2.gz SMJRYOQNZHPURX-UHFFFAOYSA-N 1 0 274.364 1.945 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3C[C@@H](C2)O3)c(OC)c1 ZINC001141029306 936794773 /nfs/dbraw/zinc/79/47/73/936794773.db2.gz PDSGZETXPMECBP-PHIMTYICSA-N 1 0 265.309 1.383 20 10 CDCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2cc(O)ccc2O)C(C)C)C1 ZINC001141161215 936823088 /nfs/dbraw/zinc/82/30/88/936823088.db2.gz BEFHKTYIXSNDCA-CQSZACIVSA-N 1 0 292.379 1.929 20 10 CDCDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001168969091 927592297 /nfs/dbraw/zinc/59/22/97/927592297.db2.gz CBHOZOCXWVBMSP-GXSJLCMTSA-N 1 0 296.323 1.381 20 10 CDCDRO CCc1cccc(C[NH2+]CCNC(=O)C(C)C)c1O ZINC000691434646 937216932 /nfs/dbraw/zinc/21/69/32/937216932.db2.gz BXIFFBRPEONFPZ-UHFFFAOYSA-N 1 0 264.369 1.816 20 10 CDCDRO C[NH+](C)C1(C(=O)NCc2ccc(O)c(O)c2)CCCC1 ZINC001150377623 937230188 /nfs/dbraw/zinc/23/01/88/937230188.db2.gz KNUKXEGZSJIGLK-UHFFFAOYSA-N 1 0 278.352 1.588 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000691460405 928880336 /nfs/dbraw/zinc/88/03/36/928880336.db2.gz QZZSCOHVQLNICS-LBPRGKRZSA-N 1 0 276.336 1.192 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1 ZINC000697611486 937284666 /nfs/dbraw/zinc/28/46/66/937284666.db2.gz CASPCDSQVZZBAX-UWVGGRQHSA-N 1 0 287.381 1.485 20 10 CDCDRO CN1C[C@H]([NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000691490819 929064129 /nfs/dbraw/zinc/06/41/29/929064129.db2.gz YDUBMMPHGPMZQY-SNVBAGLBSA-N 1 0 299.168 1.475 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)c2nncn2C)c1O ZINC000691520531 929122987 /nfs/dbraw/zinc/12/29/87/929122987.db2.gz DOFUPZMHNCMXSM-SNVBAGLBSA-N 1 0 260.341 1.934 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)CCC2 ZINC001170994470 931189117 /nfs/dbraw/zinc/18/91/17/931189117.db2.gz RQVWXEVPFCBSEY-UHFFFAOYSA-N 1 0 262.353 1.504 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000825284535 931498692 /nfs/dbraw/zinc/49/86/92/931498692.db2.gz ORHJGRFQHAJLJK-GARJFASQSA-N 1 0 278.352 1.705 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCc3ncncc3C2)c(O)c1 ZINC001144508868 931874635 /nfs/dbraw/zinc/87/46/35/931874635.db2.gz BKQMCXPVLYUAJK-UHFFFAOYSA-N 1 0 273.292 1.152 20 10 CDCDRO CN1CCO[C@]2(CCC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001275821546 932064613 /nfs/dbraw/zinc/06/46/13/932064613.db2.gz SYBBOMYSCPISJT-MRXNPFEDSA-N 1 0 292.379 1.394 20 10 CDCDRO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cc(O)c(O)c(O)c1 ZINC001148589819 932755335 /nfs/dbraw/zinc/75/53/35/932755335.db2.gz MMASVTQYUHVRBD-JTQLQIEISA-N 1 0 280.324 1.018 20 10 CDCDRO C[C@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC001155891757 937685659 /nfs/dbraw/zinc/68/56/59/937685659.db2.gz FHVYXXMJXIMPIC-JOYOIKCWSA-N 1 0 289.339 1.671 20 10 CDCDRO CC(C)CN1CCN(Cc2ccc(N)cc2)[C@H](C)C1=O ZINC001120268402 937790590 /nfs/dbraw/zinc/79/05/90/937790590.db2.gz DIEYPNPOQINCKX-CYBMUJFWSA-N 1 0 275.396 1.958 20 10 CDCDRO CC[C@H](F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001121809523 937883299 /nfs/dbraw/zinc/88/32/99/937883299.db2.gz FURSUDSGXUBSHV-STQMWFEESA-N 1 0 267.348 1.617 20 10 CDCDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC001122064808 937902882 /nfs/dbraw/zinc/90/28/82/937902882.db2.gz JEZIZDOKMNRPMN-GXFFZTMASA-N 1 0 280.368 1.781 20 10 CDCDRO Cc1cc(C(=O)NCC2([NH3+])CC2)c(C)n1-c1ccccn1 ZINC001122262794 937916429 /nfs/dbraw/zinc/91/64/29/937916429.db2.gz XPEIIGAUHNJLGH-UHFFFAOYSA-N 1 0 284.363 1.710 20 10 CDCDRO CC1(C)NC(=O)Nc2cc(N3CC[C@@H]([NH3+])C3)ccc21 ZINC001164286787 939447100 /nfs/dbraw/zinc/44/71/00/939447100.db2.gz YELNAWWFZPMKKD-SECBINFHSA-N 1 0 260.341 1.594 20 10 CDCDRO CC1=NC2(CC[NH+](Cc3ccccc3O)CC2)C(=O)N1C ZINC001203560679 939693575 /nfs/dbraw/zinc/69/35/75/939693575.db2.gz GGJBXQZFOIZSJS-UHFFFAOYSA-N 1 0 287.363 1.617 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2cccc(OC)c2O)CC1 ZINC001203590341 939694733 /nfs/dbraw/zinc/69/47/33/939694733.db2.gz XLIHVAYSUBOTMZ-UHFFFAOYSA-N 1 0 294.351 1.675 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001203622118 939697099 /nfs/dbraw/zinc/69/70/99/939697099.db2.gz PPXPEZUAIMQDLA-YPMHNXCESA-N 1 0 285.290 1.867 20 10 CDCDRO C[NH+]1CCN(C2CN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC001203664588 939700107 /nfs/dbraw/zinc/70/01/07/939700107.db2.gz LZZBIHVXPNCLOF-UHFFFAOYSA-N 1 0 295.814 1.477 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874129 939710084 /nfs/dbraw/zinc/71/00/84/939710084.db2.gz PIWJTWNMFGEOJN-UHFFFAOYSA-N 1 0 250.342 1.625 20 10 CDCDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879402 939710705 /nfs/dbraw/zinc/71/07/05/939710705.db2.gz PNSWZZKJKVFRAY-UHFFFAOYSA-N 1 0 292.379 1.834 20 10 CDCDRO Oc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1O ZINC001203879392 939710874 /nfs/dbraw/zinc/71/08/74/939710874.db2.gz PGDDUPLTGBZICP-CYBMUJFWSA-N 1 0 262.353 1.768 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC(C(N)=O)C2)c2ccccc21 ZINC001204242229 939746769 /nfs/dbraw/zinc/74/67/69/939746769.db2.gz MZHIQMNKQFGEMV-UHFFFAOYSA-N 1 0 283.375 1.823 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1O ZINC001204325020 939755448 /nfs/dbraw/zinc/75/54/48/939755448.db2.gz QFSLBFAQTXWMNC-DOTOQJQBSA-N 1 0 290.407 1.462 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc(O)c1O ZINC001204344804 939758125 /nfs/dbraw/zinc/75/81/25/939758125.db2.gz ZBRZEBNOEUAGTL-MWLCHTKSSA-N 1 0 267.325 1.309 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001206481014 940046621 /nfs/dbraw/zinc/04/66/21/940046621.db2.gz PEFSHCVUIUDISC-QPUJVOFHSA-N 1 0 291.178 1.450 20 10 CDCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2COC)cc1 ZINC001210530014 940697338 /nfs/dbraw/zinc/69/73/38/940697338.db2.gz BQLCWSHVFOYCHR-KRWDZBQOSA-N 1 0 291.439 1.953 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000400150633 940843245 /nfs/dbraw/zinc/84/32/45/940843245.db2.gz BJAPDAABRWUPOD-RYUDHWBXSA-N 1 0 298.408 1.385 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000400218475 940844387 /nfs/dbraw/zinc/84/43/87/940844387.db2.gz WDCXXSPEZJINCP-NWDGAFQWSA-N 1 0 298.408 1.385 20 10 CDCDRO [NH3+]CC1(F)CC[NH+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001222542509 941611074 /nfs/dbraw/zinc/61/10/74/941611074.db2.gz GFZJFXRPBFHBEO-UHFFFAOYSA-N 1 0 282.315 1.353 20 10 CDCDRO O[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000323161302 942211821 /nfs/dbraw/zinc/21/18/21/942211821.db2.gz JBQDXXNVYSHKLQ-HUUCEWRRSA-N 1 0 262.353 1.136 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H]4C[C@@]43C(N)=O)ccc21 ZINC001277254296 942246317 /nfs/dbraw/zinc/24/63/17/942246317.db2.gz QGOUTUZNVKPDPC-PBHICJAKSA-N 1 0 285.391 1.519 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(c3ncncn3)CC2)c1O ZINC001231594573 942939007 /nfs/dbraw/zinc/93/90/07/942939007.db2.gz LOFJXZVKTMSUDV-UHFFFAOYSA-N 1 0 285.351 1.208 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)cc1O ZINC001231635194 942947626 /nfs/dbraw/zinc/94/76/26/942947626.db2.gz WDTLIKWWCCCSFI-RNCFNFMXSA-N 1 0 267.325 1.309 20 10 CDCDRO CCC1(O)CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231637590 942953111 /nfs/dbraw/zinc/95/31/11/942953111.db2.gz NNJAHEUCQHQDHG-UHFFFAOYSA-N 1 0 281.352 1.843 20 10 CDCDRO COc1cc(CN2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c(O)cc1O ZINC001231639305 942956328 /nfs/dbraw/zinc/95/63/28/942956328.db2.gz ORBLLBBAFOVEFA-WCQYABFASA-N 1 0 292.379 1.632 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1c(C)cc(C)cc1O ZINC001231846029 943026510 /nfs/dbraw/zinc/02/65/10/943026510.db2.gz YVCHRMXPMUJCTJ-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CCOC1 ZINC001231853845 943031891 /nfs/dbraw/zinc/03/18/91/943031891.db2.gz RRXQKYTZGSKFPJ-CQSZACIVSA-N 1 0 264.369 1.982 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC001232834970 943412287 /nfs/dbraw/zinc/41/22/87/943412287.db2.gz SSEJJFXFLFPOMU-UHFFFAOYSA-N 1 0 250.342 1.272 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1 ZINC001232836102 943413756 /nfs/dbraw/zinc/41/37/56/943413756.db2.gz KWKRNBVXJIPLEK-ZIAGYGMSSA-N 1 0 282.359 1.753 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001232836607 943413834 /nfs/dbraw/zinc/41/38/34/943413834.db2.gz RINBNQOKZBKNPC-HOTGVXAUSA-N 1 0 294.395 1.023 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCc3cnn(C)c3C2)c(O)c1 ZINC001232841161 943417152 /nfs/dbraw/zinc/41/71/52/943417152.db2.gz WAHPDNWMHPSHRV-UHFFFAOYSA-N 1 0 286.379 1.750 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@H]1O ZINC001233010343 943460447 /nfs/dbraw/zinc/46/04/47/943460447.db2.gz PGAHTVKMHCCZHK-GXSJLCMTSA-N 1 0 267.325 1.396 20 10 CDCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233015348 943463689 /nfs/dbraw/zinc/46/36/89/943463689.db2.gz LGNSGKPUZYNZEA-IAQYHMDHSA-N 1 0 278.352 1.187 20 10 CDCDRO Oc1ccc(F)c(F)c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001233336745 943548483 /nfs/dbraw/zinc/54/84/83/943548483.db2.gz XXRUANGCHMJFEH-VIFPVBQESA-N 1 0 254.280 1.560 20 10 CDCDRO OCC[N@H+](Cc1cccs1)Cc1cc(O)c(O)cc1O ZINC001233485070 943592280 /nfs/dbraw/zinc/59/22/80/943592280.db2.gz HUQVPXMIFDYKEO-UHFFFAOYSA-N 1 0 295.360 1.859 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[N@@H+](C)C1 ZINC001234473562 943857924 /nfs/dbraw/zinc/85/79/24/943857924.db2.gz HWFJBIJYVKPDJI-VIFPVBQESA-N 1 0 251.282 1.383 20 10 CDCDRO Cc1c(CN2CCNC[C@]23CC[NH2+]C3)c2ccccc2n1C ZINC001234981803 943994000 /nfs/dbraw/zinc/99/40/00/943994000.db2.gz LNDYNSDYXVGNPU-GOSISDBHSA-N 1 0 298.434 1.624 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(Br)ccc1O)C2 ZINC001236016290 944374338 /nfs/dbraw/zinc/37/43/38/944374338.db2.gz PAVUBPHLSPULKE-CABZTGNLSA-N 1 0 283.169 1.688 20 10 CDCDRO Cc1cc(Br)cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236020913 944377729 /nfs/dbraw/zinc/37/77/29/944377729.db2.gz ACKODTUQDFQFLQ-ZWNOBZJWSA-N 1 0 297.196 1.996 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001236172672 944422022 /nfs/dbraw/zinc/42/20/22/944422022.db2.gz JIDNXERVGCWTSR-VIFPVBQESA-N 1 0 276.258 1.824 20 10 CDCDRO Cc1c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2n1C ZINC001236281910 944442078 /nfs/dbraw/zinc/44/20/78/944442078.db2.gz CHBWLIUHDRUKMT-LRDDRELGSA-N 1 0 255.365 1.890 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)NCCCC[NH3+])cc1 ZINC000701389442 944444186 /nfs/dbraw/zinc/44/41/86/944444186.db2.gz HCEJMTIOVHEWMF-JXMROGBWSA-N 1 0 261.369 1.621 20 10 CDCDRO COCCN(Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001236329636 944471407 /nfs/dbraw/zinc/47/14/07/944471407.db2.gz LEMFNXXHPGRDOW-HNNXBMFYSA-N 1 0 263.385 1.469 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2O)C[C@@H](C)[NH2+]1 ZINC001236580739 944517950 /nfs/dbraw/zinc/51/79/50/944517950.db2.gz SORVJCVJGMQWRO-VXGBXAGGSA-N 1 0 263.385 1.640 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1OC ZINC001236750966 944558458 /nfs/dbraw/zinc/55/84/58/944558458.db2.gz NQZHRBDMSMKZER-PWSUYJOCSA-N 1 0 285.315 1.314 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCO[C@H](COC)C2)c(O)c1 ZINC001236791769 944571536 /nfs/dbraw/zinc/57/15/36/944571536.db2.gz KMTLKVZBMAMVSS-AWEZNQCLSA-N 1 0 265.353 1.802 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCO[C@@H](C)C2)c(O)c1 ZINC001236809484 944574962 /nfs/dbraw/zinc/57/49/62/944574962.db2.gz WGHHRFRHGIRNHU-NSHDSACASA-N 1 0 251.326 1.930 20 10 CDCDRO CCOC(=O)c1c(CN2CC[NH2+]C2)c2ccccc2n1C ZINC001236849237 944591818 /nfs/dbraw/zinc/59/18/18/944591818.db2.gz DEYVINBJSAAWIV-UHFFFAOYSA-N 1 0 287.363 1.718 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc2c(c1)OCCN2C ZINC001236867861 944595742 /nfs/dbraw/zinc/59/57/42/944595742.db2.gz CPSWVCKYMUXBDM-ZDUSSCGKSA-N 1 0 263.385 1.684 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(C)(C(N)=O)CC1 ZINC001237489049 944813806 /nfs/dbraw/zinc/81/38/06/944813806.db2.gz DICXBYZSAGLJGE-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c(OC)c1 ZINC001237675101 944920605 /nfs/dbraw/zinc/92/06/05/944920605.db2.gz TXZUADAPPFLOBM-NSHDSACASA-N 1 0 281.352 1.614 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC001237681726 944924801 /nfs/dbraw/zinc/92/48/01/944924801.db2.gz PYWUZLXBVQRGDR-PWSUYJOCSA-N 1 0 271.744 1.139 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001261376140 946083524 /nfs/dbraw/zinc/08/35/24/946083524.db2.gz INEXELLMRCKGAQ-NSHDSACASA-N 1 0 296.390 1.689 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c1O ZINC001278354942 946924393 /nfs/dbraw/zinc/92/43/93/946924393.db2.gz QPPNHKJRZZIPMH-IAQYHMDHSA-N 1 0 260.337 1.316 20 10 CDCDRO C[C@H](Cc1ccccn1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001256395042 948300730 /nfs/dbraw/zinc/30/07/30/948300730.db2.gz CTPLEULLLVYQHR-BDJLRTHQSA-N 1 0 288.347 1.747 20 10 CDCDRO CSCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258199248 948730612 /nfs/dbraw/zinc/73/06/12/948730612.db2.gz WSWFPJRGOLCWTL-RNCFNFMXSA-N 1 0 271.382 1.862 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC001249173576 949440794 /nfs/dbraw/zinc/44/07/94/949440794.db2.gz UETBWGNEIOJGHQ-CYBMUJFWSA-N 1 0 279.336 1.064 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)c(O)c1 ZINC001249172506 949442294 /nfs/dbraw/zinc/44/22/94/949442294.db2.gz OBFYNIUMPPXWQE-AWEZNQCLSA-N 1 0 293.363 1.455 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249177532 949442916 /nfs/dbraw/zinc/44/29/16/949442916.db2.gz CBADBZOQFMSWAZ-ZDUSSCGKSA-N 1 0 293.363 1.576 20 10 CDCDRO CC(C)OC[C@@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252679848 951567173 /nfs/dbraw/zinc/56/71/73/951567173.db2.gz FXPRHUHKZIIIKX-INIZCTEOSA-N 1 0 280.412 1.970 20 10 CDCDRO C[NH+](C)CC[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC001303477866 956089831 /nfs/dbraw/zinc/08/98/31/956089831.db2.gz NQHRLRPFUHFGRN-SNVBAGLBSA-N 1 0 268.382 1.868 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001308032547 956457277 /nfs/dbraw/zinc/45/72/77/956457277.db2.gz AXZXHDVXOJLGLE-ZDUSSCGKSA-N 1 0 286.383 1.645 20 10 CDCDRO CCOc1ccc(N2CC[NH+]([C@@H](CC)CO)CC2)cc1 ZINC001333144687 958106009 /nfs/dbraw/zinc/10/60/09/958106009.db2.gz UAJPDVTYFQUVLT-AWEZNQCLSA-N 1 0 278.396 1.978 20 10 CDCDRO Nc1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001334753189 959331175 /nfs/dbraw/zinc/33/11/75/959331175.db2.gz BBLLOMGFCJKYHZ-INIZCTEOSA-N 1 0 275.396 1.565 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1ccc(N)cc1 ZINC001335285185 959683160 /nfs/dbraw/zinc/68/31/60/959683160.db2.gz KZRFWOSAMAGTFW-UHFFFAOYSA-N 1 0 266.341 1.280 20 10 CDCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC001321868671 959995652 /nfs/dbraw/zinc/99/56/52/959995652.db2.gz SNFNFNDHIHORTR-QWHCGFSZSA-N 1 0 279.336 1.832 20 10 CDCDRO Nc1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001343474775 963999347 /nfs/dbraw/zinc/99/93/47/963999347.db2.gz ZHNBINAQDRXEKS-UHFFFAOYSA-N 1 0 295.386 1.887 20 10 CDCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC001349486079 966363428 /nfs/dbraw/zinc/36/34/28/966363428.db2.gz DCNMCASZTGYHBT-CABCVRRESA-N 1 0 275.396 1.800 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC001576104852 1171333552 /nfs/dbraw/zinc/33/35/52/1171333552.db2.gz KESDUYQDNAECDH-HTQZYQBOSA-N 1 0 271.748 1.581 20 10 CDCDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC001576481349 1171433264 /nfs/dbraw/zinc/43/32/64/1171433264.db2.gz XXFNUDISEASIIX-ZDUSSCGKSA-N 1 0 295.358 1.719 20 10 CDCDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC001576478862 1171434426 /nfs/dbraw/zinc/43/44/26/1171434426.db2.gz RGJYYQCZTFCHDN-SECBINFHSA-N 1 0 268.382 1.962 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000178866772 342532705 /nfs/dbraw/zinc/53/27/05/342532705.db2.gz FWRLNXAGBWFDNW-FZMZJTMJSA-N 1 0 273.380 1.553 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000135614301 361752229 /nfs/dbraw/zinc/75/22/29/361752229.db2.gz IUJALTQBBYXESN-MRVPVSSYSA-N 1 0 255.289 1.547 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1c(O)cccc1Cl ZINC000274363406 365636416 /nfs/dbraw/zinc/63/64/16/365636416.db2.gz DSQLXWITPJFQLY-UHFFFAOYSA-N 1 0 272.776 1.449 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CC[C@@H](C)O)c1 ZINC000093481793 342428965 /nfs/dbraw/zinc/42/89/65/342428965.db2.gz XGLPQJGRKOXJSX-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H](O)C(C)(C)C2)c1O ZINC000279067826 362288309 /nfs/dbraw/zinc/28/83/09/362288309.db2.gz ADUZGXDAFOHPLW-CYBMUJFWSA-N 1 0 281.327 1.937 20 10 CDCDRO CON(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000850479990 684573303 /nfs/dbraw/zinc/57/33/03/684573303.db2.gz HWQPLKKMNHPWSA-LBPRGKRZSA-N 1 0 251.374 1.896 20 10 CDCDRO COCCCOCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000271348409 345359099 /nfs/dbraw/zinc/35/90/99/345359099.db2.gz FNDFCEXNIAACNY-UHFFFAOYSA-N 1 0 297.351 1.606 20 10 CDCDRO COc1cccc(CNC(=O)N[C@@H](C)CC[NH+](C)C)c1O ZINC000073906803 349185958 /nfs/dbraw/zinc/18/59/58/349185958.db2.gz NMQIDAASUQZRCK-NSHDSACASA-N 1 0 295.383 1.540 20 10 CDCDRO C[C@@H]([NH2+]C1CC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294878021 363467723 /nfs/dbraw/zinc/46/77/23/363467723.db2.gz XEHNVYSSHCHYKI-GFCCVEGCSA-N 1 0 275.396 1.852 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293798715 198777176 /nfs/dbraw/zinc/77/71/76/198777176.db2.gz UWDLNSQQMQNXFJ-XQQFMLRXSA-N 1 0 265.353 1.891 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364154436 357914455 /nfs/dbraw/zinc/91/44/55/357914455.db2.gz DLHSHADBUNURHH-DOMZBBRYSA-N 1 0 260.337 1.350 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000192104475 358175797 /nfs/dbraw/zinc/17/57/97/358175797.db2.gz QVRAKNGTBIMOJF-NXEZZACHSA-N 1 0 267.348 1.491 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000192740698 358232069 /nfs/dbraw/zinc/23/20/69/358232069.db2.gz BWXNPDBVMXUWKU-NSHDSACASA-N 1 0 268.332 1.337 20 10 CDCDRO C[NH2+]CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193129934 358267958 /nfs/dbraw/zinc/26/79/58/358267958.db2.gz XIWXAXBPECKWRH-CYBMUJFWSA-N 1 0 278.352 1.119 20 10 CDCDRO COc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c1O ZINC000266711101 363640903 /nfs/dbraw/zinc/64/09/03/363640903.db2.gz IAYBFNPEPFIANN-GFCCVEGCSA-N 1 0 293.367 1.294 20 10 CDCDRO c1cnn(CCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000067186310 360090843 /nfs/dbraw/zinc/09/08/43/360090843.db2.gz YWYXJIDGXBEJSE-UHFFFAOYSA-N 1 0 257.337 1.998 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CCO)C2CC2)c1 ZINC000271059450 364899328 /nfs/dbraw/zinc/89/93/28/364899328.db2.gz FTLRPIHNBCHQHC-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000271169080 364957570 /nfs/dbraw/zinc/95/75/70/364957570.db2.gz DECONDGEYGIQKN-ZDUSSCGKSA-N 1 0 278.352 1.453 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272515137 365271686 /nfs/dbraw/zinc/27/16/86/365271686.db2.gz VDDBZMAALLWOET-OKPNEXGHSA-N 1 0 278.352 1.567 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000282775913 368032830 /nfs/dbraw/zinc/03/28/30/368032830.db2.gz PXXWAKIBWFEYFE-LBPRGKRZSA-N 1 0 269.366 1.320 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)cc1C ZINC000284250559 368508564 /nfs/dbraw/zinc/50/85/64/368508564.db2.gz FPLDKKFJOUEBHX-LSDHHAIUSA-N 1 0 292.423 1.896 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)[C@@H](C)CO)c(O)c1 ZINC000289183025 369530429 /nfs/dbraw/zinc/53/04/29/369530429.db2.gz APUJAQLIZAQFTC-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO CC[C@H](O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000124375785 375966723 /nfs/dbraw/zinc/96/67/23/375966723.db2.gz OJHHNLSAYNNVIN-JTQLQIEISA-N 1 0 253.298 1.372 20 10 CDCDRO C[C@H]1CN(Cc2c(O)cccc2Cl)CC(=O)N1 ZINC000294910446 378660602 /nfs/dbraw/zinc/66/06/02/378660602.db2.gz DYHMTRUSJMAJFK-QMMMGPOBSA-N 1 0 254.717 1.366 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296391313 378729192 /nfs/dbraw/zinc/72/91/92/378729192.db2.gz JVAYBLLZVZTXKE-LBPRGKRZSA-N 1 0 295.404 1.936 20 10 CDCDRO COCCC[N@H+](CCOC)Cc1ccccc1O ZINC000133090394 390934638 /nfs/dbraw/zinc/93/46/38/390934638.db2.gz RDLMDSWVMIPQMD-UHFFFAOYSA-N 1 0 253.342 1.877 20 10 CDCDRO Oc1c(F)cccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000272234645 391310617 /nfs/dbraw/zinc/31/06/17/391310617.db2.gz FKRJQUYEKZLPQK-UHFFFAOYSA-N 1 0 294.370 1.828 20 10 CDCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000195007513 391373969 /nfs/dbraw/zinc/37/39/69/391373969.db2.gz VAZFAXBPTPCLLY-UFBFGSQYSA-N 1 0 252.289 1.146 20 10 CDCDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)ccc1O ZINC000289550433 391616221 /nfs/dbraw/zinc/61/62/21/391616221.db2.gz IMSLIXNICDAQQZ-SWLSCSKDSA-N 1 0 294.370 1.826 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CCNS(C)(=O)=O)cc1 ZINC000020203682 171068463 /nfs/dbraw/zinc/06/84/63/171068463.db2.gz ZUZAHNRUZVGFTI-UHFFFAOYSA-N 1 0 299.440 1.172 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000022177270 171370952 /nfs/dbraw/zinc/37/09/52/171370952.db2.gz WDJSAEWMCJKRNY-AWEZNQCLSA-N 1 0 261.369 1.412 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000036933123 260052974 /nfs/dbraw/zinc/05/29/74/260052974.db2.gz JZVFURCUXMTLIN-ZDUSSCGKSA-N 1 0 294.395 1.601 20 10 CDCDRO OC[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000090282304 260253871 /nfs/dbraw/zinc/25/38/71/260253871.db2.gz HIDJNIMSGHBOKZ-OAHLLOKOSA-N 1 0 264.369 1.120 20 10 CDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156341294 261120879 /nfs/dbraw/zinc/12/08/79/261120879.db2.gz GSSMOPGYFFLNGY-HNNXBMFYSA-N 1 0 288.391 1.981 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183603789 261981809 /nfs/dbraw/zinc/98/18/09/261981809.db2.gz KDDVITJQDGTOOH-GHMZBOCLSA-N 1 0 271.382 1.866 20 10 CDCDRO CC[N@H+](CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C1CC1 ZINC000186433815 262093687 /nfs/dbraw/zinc/09/36/87/262093687.db2.gz BIRPISZMHUCHCR-LLVKDONJSA-N 1 0 292.379 1.629 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCCOCCO)c(O)c1 ZINC000186514394 262096070 /nfs/dbraw/zinc/09/60/70/262096070.db2.gz SGPBIJLYYDAHNI-GFCCVEGCSA-N 1 0 253.342 1.750 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000368586362 262102206 /nfs/dbraw/zinc/10/22/06/262102206.db2.gz XQCSKNGZMCBLDR-JTQLQIEISA-N 1 0 294.326 1.431 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000188490818 262157225 /nfs/dbraw/zinc/15/72/25/262157225.db2.gz HSNFBXVHNPOTGI-NSHDSACASA-N 1 0 250.342 1.657 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cnn(C)c2C)c1O ZINC000020352699 262245578 /nfs/dbraw/zinc/24/55/78/262245578.db2.gz BVUQANTVYALZDM-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000195171545 262247513 /nfs/dbraw/zinc/24/75/13/262247513.db2.gz DSTFYYWAIJXPNK-HNNXBMFYSA-N 1 0 287.407 1.903 20 10 CDCDRO CCN(C(=O)c1ccccc1CC[NH2+]C)c1cnn(C)c1 ZINC000655521948 424564363 /nfs/dbraw/zinc/56/43/63/424564363.db2.gz LYBPEVICIFVZQD-UHFFFAOYSA-N 1 0 286.379 1.849 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037267757 278361069 /nfs/dbraw/zinc/36/10/69/278361069.db2.gz FBFQDOKRBYBIGF-NEPJUHHUSA-N 1 0 263.385 1.880 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]Cc2cnnn2C)cc1 ZINC000267513565 328848860 /nfs/dbraw/zinc/84/88/60/328848860.db2.gz KWDREXRYFTZOPE-UHFFFAOYSA-N 1 0 273.384 1.951 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228674753 329344397 /nfs/dbraw/zinc/34/43/97/329344397.db2.gz OZJGQYUMOKFTIP-JTQLQIEISA-N 1 0 275.732 1.151 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](CCO)COC)c1O ZINC000219141272 333142802 /nfs/dbraw/zinc/14/28/02/333142802.db2.gz SVRMBDTVJPKDFW-GFCCVEGCSA-N 1 0 269.341 1.278 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000134130239 334081678 /nfs/dbraw/zinc/08/16/78/334081678.db2.gz XYIAOHSLYIJPAT-OAHLLOKOSA-N 1 0 276.380 1.607 20 10 CDCDRO OCCOCC[NH2+]Cc1ccc(Br)cc1O ZINC000691461591 1162030355 /nfs/dbraw/zinc/03/03/55/1162030355.db2.gz JMXPKHVBCXTFHN-UHFFFAOYSA-N 1 0 290.157 1.253 20 10 CDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823759 521943217 /nfs/dbraw/zinc/94/32/17/521943217.db2.gz XWUDTMQVKVYWJX-GWCFXTLKSA-N 1 0 250.342 1.724 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000265245007 522000209 /nfs/dbraw/zinc/00/02/09/522000209.db2.gz MRSKVLADLFSYDM-HNNXBMFYSA-N 1 0 284.375 1.769 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1F ZINC000237085646 522203140 /nfs/dbraw/zinc/20/31/40/522203140.db2.gz MRLRAHNQNYNYBI-MRXNPFEDSA-N 1 0 293.386 1.898 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)cc1C ZINC000037268017 524074012 /nfs/dbraw/zinc/07/40/12/524074012.db2.gz AMQZSTDVNKBJTE-NSHDSACASA-N 1 0 250.342 1.570 20 10 CDCDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(N)cc1 ZINC000094456673 524685641 /nfs/dbraw/zinc/68/56/41/524685641.db2.gz PFTWSXAKJXMKFB-SWLSCSKDSA-N 1 0 273.380 1.506 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC(=O)NC(C)C)c1 ZINC000036781442 524748984 /nfs/dbraw/zinc/74/89/84/524748984.db2.gz UDDSOAXXLDWSOE-UHFFFAOYSA-N 1 0 252.314 1.015 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1C ZINC000280106341 525318773 /nfs/dbraw/zinc/31/87/73/525318773.db2.gz ARNVCWJGXUPZJE-HNNXBMFYSA-N 1 0 262.353 1.706 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366323880 526755432 /nfs/dbraw/zinc/75/54/32/526755432.db2.gz RGBGKISQRWVDPN-CYBMUJFWSA-N 1 0 260.337 1.350 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000220330893 687740141 /nfs/dbraw/zinc/74/01/41/687740141.db2.gz JPVANDYIRPXECW-RNCFNFMXSA-N 1 0 254.305 1.079 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1F ZINC000733327254 575114778 /nfs/dbraw/zinc/11/47/78/575114778.db2.gz QOTCCYLKWIWBIV-LBPRGKRZSA-N 1 0 251.349 1.685 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCC2)cc1F ZINC000733327647 575114951 /nfs/dbraw/zinc/11/49/51/575114951.db2.gz AGUJZDCSIZEFER-UHFFFAOYSA-N 1 0 252.333 1.896 20 10 CDCDRO C[N@@H+]1CC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000733975166 575147232 /nfs/dbraw/zinc/14/72/32/575147232.db2.gz YISPUGUYDVMGRX-JTQLQIEISA-N 1 0 285.438 1.693 20 10 CDCDRO COC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000774649805 575223721 /nfs/dbraw/zinc/22/37/21/575223721.db2.gz YTAATNSZWYRPQT-AWEZNQCLSA-N 1 0 293.363 1.819 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769528732 575357277 /nfs/dbraw/zinc/35/72/77/575357277.db2.gz YQGSQZYDWSGMEL-OAHLLOKOSA-N 1 0 279.336 1.786 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000771926704 575637217 /nfs/dbraw/zinc/63/72/17/575637217.db2.gz HNLWIWSVCCOQOY-JTQLQIEISA-N 1 0 264.325 1.098 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cccc(C)c2O)CCOC1 ZINC000768531944 576293512 /nfs/dbraw/zinc/29/35/12/576293512.db2.gz BZUWIVYTUGGCAD-HNNXBMFYSA-N 1 0 279.336 1.512 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000769468681 576357135 /nfs/dbraw/zinc/35/71/35/576357135.db2.gz OBJFUSIUXKEOAU-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000749130009 576936615 /nfs/dbraw/zinc/93/66/15/576936615.db2.gz OPGJGFBDEJZKKJ-STQMWFEESA-N 1 0 291.395 1.438 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(F)ccc1O ZINC000756511986 576993029 /nfs/dbraw/zinc/99/30/29/576993029.db2.gz UKFBWYLWHJMVCY-GXFFZTMASA-N 1 0 283.343 1.969 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1O ZINC000892076696 617465070 /nfs/dbraw/zinc/46/50/70/617465070.db2.gz CKRLPSBNGQPUHL-NTZNESFSSA-N 1 0 277.368 1.750 20 10 CDCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccccc1O ZINC000892527861 617478267 /nfs/dbraw/zinc/47/82/67/617478267.db2.gz ZIRKBKGKKXBIHC-GFCCVEGCSA-N 1 0 277.368 1.676 20 10 CDCDRO C[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccccc1O ZINC000892221532 617562284 /nfs/dbraw/zinc/56/22/84/617562284.db2.gz ZGCUERBGIPARDS-NSHDSACASA-N 1 0 277.368 1.881 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C)C2)c(O)c1OC ZINC000892665749 617572077 /nfs/dbraw/zinc/57/20/77/617572077.db2.gz SZHHUVHIGATVLK-LBPRGKRZSA-N 1 0 280.368 1.593 20 10 CDCDRO COc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(O)c1OC ZINC000892251618 617579500 /nfs/dbraw/zinc/57/95/00/617579500.db2.gz JRIHNQTZZXFBEG-TXEJJXNPSA-N 1 0 278.352 1.061 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1ccc(OC)c(OC)c1O ZINC000891779296 617583390 /nfs/dbraw/zinc/58/33/90/617583390.db2.gz YNQQSUJGMNXMTJ-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@@H](C)OC)c(O)c1OC ZINC000892806382 617774548 /nfs/dbraw/zinc/77/45/48/617774548.db2.gz FFJRBKZGQZODJV-SNVBAGLBSA-N 1 0 269.341 1.924 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1OC ZINC000893712252 617929688 /nfs/dbraw/zinc/92/96/88/617929688.db2.gz QOSRSVFXYZHLQX-CMPLNLGQSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C[S@](C)=O)c(O)c1OC ZINC000893527452 618032899 /nfs/dbraw/zinc/03/28/99/618032899.db2.gz YHDOSGMMZPIDFX-HOGDKLEQSA-N 1 0 287.381 1.266 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cc(C)n[nH]2)c(O)c1OC ZINC000893028799 618074753 /nfs/dbraw/zinc/07/47/53/618074753.db2.gz NMWORUQAWRJYDI-UHFFFAOYSA-N 1 0 277.324 1.731 20 10 CDCDRO NC(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893988018 618238343 /nfs/dbraw/zinc/23/83/43/618238343.db2.gz XFGOFVVKRWKBPH-UHFFFAOYSA-N 1 0 285.294 1.257 20 10 CDCDRO COc1cc(O)c(CN[C@H]2CCC[NH2+]C2)cc1OC ZINC000841043078 618677647 /nfs/dbraw/zinc/67/76/47/618677647.db2.gz OJSFSLOYGIJZDF-NSHDSACASA-N 1 0 266.341 1.251 20 10 CDCDRO COc1cc(O)c(CN[C@@H]2CCC[NH2+]C2)cc1OC ZINC000841043077 618678062 /nfs/dbraw/zinc/67/80/62/618678062.db2.gz OJSFSLOYGIJZDF-LLVKDONJSA-N 1 0 266.341 1.251 20 10 CDCDRO Oc1ccc(Br)cc1CN[C@H]1CC[NH2+]C1 ZINC000841044782 618678681 /nfs/dbraw/zinc/67/86/81/618678681.db2.gz HPJLJUJMMDFWOR-JTQLQIEISA-N 1 0 271.158 1.606 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057111 618691090 /nfs/dbraw/zinc/69/10/90/618691090.db2.gz BEYFKKPAIHRKSQ-VHSXEESVSA-N 1 0 295.339 1.478 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCO[C@@H](C)C2)c1O ZINC000894241814 618745980 /nfs/dbraw/zinc/74/59/80/618745980.db2.gz MBRDTHBKHFDJFI-ZDUSSCGKSA-N 1 0 294.395 1.520 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894361153 618820817 /nfs/dbraw/zinc/82/08/17/618820817.db2.gz DVSOGGSIKIQWLD-CHWSQXEVSA-N 1 0 292.379 1.714 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000894543418 618953223 /nfs/dbraw/zinc/95/32/23/618953223.db2.gz XUOJJAXRERKCKW-UHFFFAOYSA-N 1 0 280.324 1.331 20 10 CDCDRO COc1cccc(O)c1CNCC[C@H](C)[NH+](C)C ZINC000895299027 619528271 /nfs/dbraw/zinc/52/82/71/619528271.db2.gz FREPZPKGVZJQEE-NSHDSACASA-N 1 0 252.358 1.831 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)C(=O)N(C)OC)c1O ZINC000895413551 619648072 /nfs/dbraw/zinc/64/80/72/619648072.db2.gz GCMRSWDTHZCAPW-SNVBAGLBSA-N 1 0 282.340 1.207 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000896383899 620080463 /nfs/dbraw/zinc/08/04/63/620080463.db2.gz GQHXGXTVNWZYNP-LBPRGKRZSA-N 1 0 293.363 1.986 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000897466390 620843747 /nfs/dbraw/zinc/84/37/47/620843747.db2.gz SYYVFKPAONPXOJ-ZDUSSCGKSA-N 1 0 291.395 1.842 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC[C@H](O)C1CC1 ZINC000898206010 621362496 /nfs/dbraw/zinc/36/24/96/621362496.db2.gz JQKKGCKGEONPPN-LBPRGKRZSA-N 1 0 251.326 1.651 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000787422026 621556830 /nfs/dbraw/zinc/55/68/30/621556830.db2.gz XSOPCUOZIJXTHP-CABZTGNLSA-N 1 0 267.300 1.915 20 10 CDCDRO CC[C@H](COC)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046162 621590392 /nfs/dbraw/zinc/59/03/92/621590392.db2.gz XEJUNLUIWXTUBC-UKRRQHHQSA-N 1 0 265.401 1.767 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H]2CNOC2)ccc1OC ZINC000904426780 626289645 /nfs/dbraw/zinc/28/96/45/626289645.db2.gz IKVYITMLIZOFAA-ZDUSSCGKSA-N 1 0 266.341 1.225 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905052207 626387629 /nfs/dbraw/zinc/38/76/29/626387629.db2.gz NMSNHICRGKHDTF-UHFFFAOYSA-N 1 0 251.330 1.899 20 10 CDCDRO c1ncn(CCC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921516617 633057844 /nfs/dbraw/zinc/05/78/44/633057844.db2.gz RLPCJZGDYCWKPW-UHFFFAOYSA-N 1 0 272.352 1.783 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841653871 685300927 /nfs/dbraw/zinc/30/09/27/685300927.db2.gz KJUHMQBVJOXHLI-OCCSQVGLSA-N 1 0 290.411 1.631 20 10 CDCDRO CC[NH+]1CCN([C@H](C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC000827500436 685320226 /nfs/dbraw/zinc/32/02/26/685320226.db2.gz AOOLSTXBORETAZ-LLVKDONJSA-N 1 0 297.424 1.210 20 10 CDCDRO CC(C)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1=O ZINC000708409344 685325443 /nfs/dbraw/zinc/32/54/43/685325443.db2.gz MNFMBSJSRZWPTJ-GFCCVEGCSA-N 1 0 284.306 1.769 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]Cc2cnnn2C)c1O ZINC000846169925 685327450 /nfs/dbraw/zinc/32/74/50/685327450.db2.gz HADXFGIZBKNHDZ-VIFPVBQESA-N 1 0 262.313 1.380 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCOC1 ZINC000229640465 686729200 /nfs/dbraw/zinc/72/92/00/686729200.db2.gz HLHSBSUDRQABPU-LBPRGKRZSA-N 1 0 257.717 1.287 20 10 CDCDRO CC(C)C[C@@H](CN)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841038450 685462822 /nfs/dbraw/zinc/46/28/22/685462822.db2.gz JPEWOLQCJLLWOX-NSHDSACASA-N 1 0 266.341 1.584 20 10 CDCDRO CCCNC(=O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147659 685473269 /nfs/dbraw/zinc/47/32/69/685473269.db2.gz WZJLZAMSHPQZQB-NSHDSACASA-N 1 0 280.368 1.968 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1OC ZINC000843049951 685549048 /nfs/dbraw/zinc/54/90/48/685549048.db2.gz ZOEHKBWRCURMRQ-QWRGUYRKSA-N 1 0 280.368 1.592 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000787246034 684325302 /nfs/dbraw/zinc/32/53/02/684325302.db2.gz PUQLAWNGRSHJJV-KOLCDFICSA-N 1 0 293.319 1.504 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000843056473 684332852 /nfs/dbraw/zinc/33/28/52/684332852.db2.gz LPARNMOFCGICNP-UHFFFAOYSA-N 1 0 252.358 1.818 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000230393150 684361162 /nfs/dbraw/zinc/36/11/62/684361162.db2.gz AAFMKQWYHWJZPY-LLVKDONJSA-N 1 0 251.326 1.917 20 10 CDCDRO CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835575 684388413 /nfs/dbraw/zinc/38/84/13/684388413.db2.gz VAIKWIFHHFQDNJ-NSHDSACASA-N 1 0 292.383 1.249 20 10 CDCDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000775986195 684432621 /nfs/dbraw/zinc/43/26/21/684432621.db2.gz POSRHYJHQFIUBI-WDEREUQCSA-N 1 0 278.352 1.645 20 10 CDCDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000779431684 684542133 /nfs/dbraw/zinc/54/21/33/684542133.db2.gz BAZZHWSZKKHBHB-UHFFFAOYSA-N 1 0 278.400 1.456 20 10 CDCDRO CCCN(Cc1cccc(OC)c1O)[C@H]1CC[NH2+]C1 ZINC000071314517 684562480 /nfs/dbraw/zinc/56/24/80/684562480.db2.gz TWTVAOZDCWGNRK-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877086775 684588572 /nfs/dbraw/zinc/58/85/72/684588572.db2.gz APKMRVVKCORJDG-LBPRGKRZSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000877466427 684602665 /nfs/dbraw/zinc/60/26/65/684602665.db2.gz JNBSPXSYSYZADU-NEPJUHHUSA-N 1 0 251.326 1.282 20 10 CDCDRO OC[C@H](CC(F)F)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000717743097 684679485 /nfs/dbraw/zinc/67/94/85/684679485.db2.gz GZLLIRYZJAYSTM-VHSXEESVSA-N 1 0 257.280 1.985 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000835075355 684680733 /nfs/dbraw/zinc/68/07/33/684680733.db2.gz WYOZNEARKHWDAX-CVEARBPZSA-N 1 0 287.407 1.996 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817944497 684721507 /nfs/dbraw/zinc/72/15/07/684721507.db2.gz FBPIJJHFFVGGKH-AWEZNQCLSA-N 1 0 297.830 1.992 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1CCO[C@H](C)C1)c1ccccc1O ZINC000879647614 684745267 /nfs/dbraw/zinc/74/52/67/684745267.db2.gz GDOQPVCURCIREY-VXGBXAGGSA-N 1 0 278.352 1.290 20 10 CDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876735529 684815733 /nfs/dbraw/zinc/81/57/33/684815733.db2.gz DPFCLCLIXOUDRJ-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO Nc1ccc(CCNC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000841955964 684822938 /nfs/dbraw/zinc/82/29/38/684822938.db2.gz SJBGHDRAJVPGGN-UHFFFAOYSA-N 1 0 288.395 1.420 20 10 CDCDRO CC(C)([NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841031536 684824024 /nfs/dbraw/zinc/82/40/24/684824024.db2.gz VEZXYPSXWNEHRO-UHFFFAOYSA-N 1 0 281.375 1.489 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000135213549 684836047 /nfs/dbraw/zinc/83/60/47/684836047.db2.gz ZKNVKHWQELYFSB-CMPLNLGQSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)C(C)C)cc1OC ZINC000182222149 684859104 /nfs/dbraw/zinc/85/91/04/684859104.db2.gz DJGZQUCZCBGJKG-OAHLLOKOSA-N 1 0 283.368 1.906 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841826797 684866377 /nfs/dbraw/zinc/86/63/77/684866377.db2.gz JEADRYWUQSRPPL-UHFFFAOYSA-N 1 0 278.400 1.470 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000923007349 684876035 /nfs/dbraw/zinc/87/60/35/684876035.db2.gz KTURHWATQIXCLP-UMSPYCQHSA-N 1 0 251.326 1.651 20 10 CDCDRO CCc1nncn1CC[NH2+][C@H](C)c1ccccc1O ZINC000783515766 684944907 /nfs/dbraw/zinc/94/49/07/684944907.db2.gz AXVMCBQPENJUMX-LLVKDONJSA-N 1 0 260.341 1.897 20 10 CDCDRO Cc1cc(Br)c(O)c(CN2CC[C@H]([NH3+])C2)c1 ZINC000843047692 684981730 /nfs/dbraw/zinc/98/17/30/684981730.db2.gz ZZSZCXNWKQSZBL-JTQLQIEISA-N 1 0 285.185 1.996 20 10 CDCDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924902121 685016599 /nfs/dbraw/zinc/01/65/99/685016599.db2.gz XAIROYUHSWDFIQ-FZMZJTMJSA-N 1 0 274.364 1.768 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000068981008 685029671 /nfs/dbraw/zinc/02/96/71/685029671.db2.gz REDDMXKEESTFTR-UHFFFAOYSA-N 1 0 286.397 1.033 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000393689671 685062905 /nfs/dbraw/zinc/06/29/05/685062905.db2.gz MHCHGUHDMRNPMW-UHFFFAOYSA-N 1 0 289.784 1.712 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(O)c1 ZINC000877466778 685733823 /nfs/dbraw/zinc/73/38/23/685733823.db2.gz QKVOJKCHSUIGHR-WHOFXGATSA-N 1 0 274.364 1.786 20 10 CDCDRO CN(C(=O)COC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877076496 685811525 /nfs/dbraw/zinc/81/15/25/685811525.db2.gz RCUMLCKLPIDIJN-UHFFFAOYSA-N 1 0 263.341 1.000 20 10 CDCDRO COc1cccc(O)c1CN[C@H](CC[NH3+])C(F)(F)F ZINC000841090587 685893889 /nfs/dbraw/zinc/89/38/89/685893889.db2.gz LRVRLNVCAVQFCT-LLVKDONJSA-N 1 0 278.274 1.770 20 10 CDCDRO CC(C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000034822963 685933118 /nfs/dbraw/zinc/93/31/18/685933118.db2.gz LAQBDXKCWINPNW-AWEZNQCLSA-N 1 0 275.396 1.886 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc2ccccc2c1O ZINC000323443086 685958200 /nfs/dbraw/zinc/95/82/00/685958200.db2.gz SOIWSMMHDIJNLE-VCTAVGKDSA-N 1 0 273.332 1.956 20 10 CDCDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841961000 685983140 /nfs/dbraw/zinc/98/31/40/685983140.db2.gz YXZFOMLZGPVBOU-UHFFFAOYSA-N 1 0 290.411 1.549 20 10 CDCDRO CN1CC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000712572390 686018826 /nfs/dbraw/zinc/01/88/26/686018826.db2.gz NPRYCFKHEALFTJ-VIFPVBQESA-N 1 0 285.185 1.948 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CNC(=O)C1 ZINC000398423865 1158766964 /nfs/dbraw/zinc/76/69/64/1158766964.db2.gz WIJTZMJNEZCAAD-WOPDTQHZSA-N 1 0 274.364 1.975 20 10 CDCDRO OC1CCN(c2ccc(CN3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC000877545036 686039643 /nfs/dbraw/zinc/03/96/43/686039643.db2.gz DUAWOTRDIOGWIM-SJORKVTESA-N 1 0 288.391 1.621 20 10 CDCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(O)c1O ZINC000790726977 686055730 /nfs/dbraw/zinc/05/57/30/686055730.db2.gz NHMZFBFWJQZDMI-LLVKDONJSA-N 1 0 278.352 1.702 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)c(O)c1 ZINC000876658032 686072058 /nfs/dbraw/zinc/07/20/58/686072058.db2.gz WXGFLUUQHRDDDE-UHFFFAOYSA-N 1 0 263.341 1.287 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1COCCO1 ZINC000840929155 686249586 /nfs/dbraw/zinc/24/95/86/686249586.db2.gz HWIBKFFIZZNTFQ-OAHLLOKOSA-N 1 0 264.369 1.566 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000827131859 686253716 /nfs/dbraw/zinc/25/37/16/686253716.db2.gz DWQNNRWXMDRRSY-GXTWGEPZSA-N 1 0 274.364 1.801 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)[C@H]1C ZINC000787421159 686347154 /nfs/dbraw/zinc/34/71/54/686347154.db2.gz OBLBCNGZOHIZPP-GXFFZTMASA-N 1 0 279.336 1.784 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000858602174 686459638 /nfs/dbraw/zinc/45/96/38/686459638.db2.gz SDZPHOSELVXRKB-NEPJUHHUSA-N 1 0 280.368 1.118 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000866416019 686484553 /nfs/dbraw/zinc/48/45/53/686484553.db2.gz KMZMCAVYXPGONC-MXWKQRLJSA-N 1 0 251.326 1.822 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000828667214 686581303 /nfs/dbraw/zinc/58/13/03/686581303.db2.gz OCQUQBNZVACNQN-SCVCMEIPSA-N 1 0 278.352 1.576 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000132925418 686596252 /nfs/dbraw/zinc/59/62/52/686596252.db2.gz NOTFZDOSTPXZEO-FZMZJTMJSA-N 1 0 261.369 1.410 20 10 CDCDRO COCCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279832 686608216 /nfs/dbraw/zinc/60/82/16/686608216.db2.gz LCWUOMVLXIIJMU-HNNXBMFYSA-N 1 0 293.411 1.685 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(CCCO)C2)cc1C ZINC000824582851 686758581 /nfs/dbraw/zinc/75/85/81/686758581.db2.gz CKOJEODGZKJNQF-INIZCTEOSA-N 1 0 292.423 1.945 20 10 CDCDRO COc1ccc(CNC(=O)NC2CCC([NH3+])CC2)c(O)c1 ZINC000841944818 686844151 /nfs/dbraw/zinc/84/41/51/686844151.db2.gz IOPZXEMWOMXBEF-UHFFFAOYSA-N 1 0 293.367 1.470 20 10 CDCDRO COc1ccc(C[NH2+]C/C=C\CO)cc1Cn1cccn1 ZINC000873135873 686879825 /nfs/dbraw/zinc/87/98/25/686879825.db2.gz OXQKAAMQZHAPGT-IHWYPQMZSA-N 1 0 287.363 1.578 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666913 686885801 /nfs/dbraw/zinc/88/58/01/686885801.db2.gz KAXMMYJZFFGUMP-JKOKRWQUSA-N 1 0 292.379 1.966 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1Cn1cccn1 ZINC000873129870 687020235 /nfs/dbraw/zinc/02/02/35/687020235.db2.gz SDUNKUQAAFYUMH-GASCZTMLSA-N 1 0 287.363 1.553 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[NH2+]C)cc1 ZINC000851655847 687042724 /nfs/dbraw/zinc/04/27/24/687042724.db2.gz ZSZROFQYJXZOJL-CYBMUJFWSA-N 1 0 292.427 1.940 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000877150412 687045961 /nfs/dbraw/zinc/04/59/61/687045961.db2.gz RFDFDTZSNJAZIM-AWEZNQCLSA-N 1 0 291.439 1.687 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858134978 687055974 /nfs/dbraw/zinc/05/59/74/687055974.db2.gz XYGYSEOAQPUNLK-CQSZACIVSA-N 1 0 288.338 1.518 20 10 CDCDRO 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ZINC001204685212 906723219 /nfs/dbraw/zinc/72/32/19/906723219.db2.gz XJKXUNDFNSEZIM-UHFFFAOYSA-N 1 0 270.760 1.850 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000323022018 909041721 /nfs/dbraw/zinc/04/17/21/909041721.db2.gz JMWFZXWIFHXGAN-QMMMGPOBSA-N 1 0 256.733 1.660 20 10 CDCDRO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2O)CC1=O ZINC001172046255 911181587 /nfs/dbraw/zinc/18/15/87/911181587.db2.gz MYOJIZUENZAIRN-CYBMUJFWSA-N 1 0 262.353 1.835 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000696018011 911615726 /nfs/dbraw/zinc/61/57/26/911615726.db2.gz KZTGZIPFFDCEPH-SNVBAGLBSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1cccc(CN2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205064655 911869258 /nfs/dbraw/zinc/86/92/58/911869258.db2.gz USJZHJHLCXKMLL-JQWIXIFHSA-N 1 0 250.342 1.712 20 10 CDCDRO C[C@]1(CO)C[N@H+](Cc2c([O-])cccc2F)CC[C@H]1O ZINC001137832915 936418059 /nfs/dbraw/zinc/41/80/59/936418059.db2.gz MBEODSZJSGLMER-ZIAGYGMSSA-N 1 0 269.316 1.097 20 10 CDCDRO 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LTAFQYJBOCHWFL-CYBMUJFWSA-N 1 0 295.814 1.710 20 10 CDCDRO Cc1cc(O)c(CN2CC[C@H]([NH3+])C2)cc1Br ZINC001236174084 944423779 /nfs/dbraw/zinc/42/37/79/944423779.db2.gz PHSYUKFSQDXMMM-JTQLQIEISA-N 1 0 285.185 1.996 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CCO)c(O)c1 ZINC001236254799 944439279 /nfs/dbraw/zinc/43/92/79/944439279.db2.gz DOIMWVHATVPMHW-UHFFFAOYSA-N 1 0 252.358 1.663 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC001236290195 944448655 /nfs/dbraw/zinc/44/86/55/944448655.db2.gz JHVDJFQOJTUPNX-PRHODGIISA-N 1 0 268.744 1.458 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC001236784718 944565587 /nfs/dbraw/zinc/56/55/87/944565587.db2.gz ZHSOUCAGAWCDPP-HNNXBMFYSA-N 1 0 276.380 1.471 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001236788077 944567975 /nfs/dbraw/zinc/56/79/75/944567975.db2.gz YIJQOXRFUALHNG-INIZCTEOSA-N 1 0 277.364 1.946 20 10 CDCDRO CCc1ccc(C[N@H+](C)CC(=O)N(C)C)c(O)c1 ZINC001236793975 944570632 /nfs/dbraw/zinc/57/06/32/944570632.db2.gz IKZPLHDTHMPPTJ-UHFFFAOYSA-N 1 0 250.342 1.475 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCOC[C@H]2C)c(O)c1 ZINC001236807678 944576826 /nfs/dbraw/zinc/57/68/26/944576826.db2.gz IUZSKZGPEHLSDH-LLVKDONJSA-N 1 0 251.326 1.930 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c(O)c1 ZINC001237043831 944642931 /nfs/dbraw/zinc/64/29/31/944642931.db2.gz JMEVYMPPROMDCG-WCQYABFASA-N 1 0 283.343 1.943 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001237048081 944646883 /nfs/dbraw/zinc/64/68/83/944646883.db2.gz PEAOAXWNPDDPJG-ZDUSSCGKSA-N 1 0 262.353 1.965 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCC3(C2)OCCO3)c1O ZINC001238061901 945044944 /nfs/dbraw/zinc/04/49/44/945044944.db2.gz LEPDIHWFMAASTN-UHFFFAOYSA-N 1 0 267.300 1.789 20 10 CDCDRO Cc1cc(-c2ccn(C)c(=O)c2)cnc1N1CC[NH2+]CC1 ZINC001239730220 945561801 /nfs/dbraw/zinc/56/18/01/945561801.db2.gz WKTWDIQAHQCPFP-UHFFFAOYSA-N 1 0 284.363 1.165 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NCC(F)(F)F)c(O)c1 ZINC001262008403 946368268 /nfs/dbraw/zinc/36/82/68/946368268.db2.gz LFXAGJALBHVLAH-SECBINFHSA-N 1 0 290.285 1.857 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001262586105 946741689 /nfs/dbraw/zinc/74/16/89/946741689.db2.gz UZKWALIOJGFOLJ-QWHCGFSZSA-N 1 0 262.357 1.338 20 10 CDCDRO Nc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001262597684 946752007 /nfs/dbraw/zinc/75/20/07/946752007.db2.gz VUYXQWYXHPZRLU-CYBMUJFWSA-N 1 0 288.395 1.552 20 10 CDCDRO Oc1ccc(CC[NH2+][C@@H]2CC3CCN(CC3)C2)cc1O ZINC001254838543 947615909 /nfs/dbraw/zinc/61/59/09/947615909.db2.gz FSHUOGVISSTNQY-CQSZACIVSA-N 1 0 276.380 1.714 20 10 CDCDRO OCC[C@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC001256042411 948179887 /nfs/dbraw/zinc/17/98/87/948179887.db2.gz LIMNCRQZJZBAPK-KRWDZBQOSA-N 1 0 290.407 1.918 20 10 CDCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001256340604 948280041 /nfs/dbraw/zinc/28/00/41/948280041.db2.gz SVVWJQPRFWAXQM-QGZVFWFLSA-N 1 0 287.407 1.984 20 10 CDCDRO CCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001258480204 948876275 /nfs/dbraw/zinc/87/62/75/948876275.db2.gz VQLTZRUVIQIYEU-SNVBAGLBSA-N 1 0 267.325 1.919 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(O)c1 ZINC001249172509 949439881 /nfs/dbraw/zinc/43/98/81/949439881.db2.gz OBFYNIUMPPXWQE-CQSZACIVSA-N 1 0 293.363 1.455 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001249172609 949442242 /nfs/dbraw/zinc/44/22/42/949442242.db2.gz OOJLHMLMBMPKNG-UHFFFAOYSA-N 1 0 291.347 1.186 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC001249173620 949443384 /nfs/dbraw/zinc/44/33/84/949443384.db2.gz UROQYJAOXVFVSY-HNNXBMFYSA-N 1 0 297.326 1.014 20 10 CDCDRO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253714506 952057760 /nfs/dbraw/zinc/05/77/60/952057760.db2.gz BOYGEIKNEUDMET-QWHCGFSZSA-N 1 0 269.341 1.128 20 10 CDCDRO [NH3+]CCCCNC(=O)NCCCSc1nccs1 ZINC001325365166 953863031 /nfs/dbraw/zinc/86/30/31/953863031.db2.gz BNLYFEFCTLHEJS-UHFFFAOYSA-N 1 0 288.442 1.663 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC001334775359 954273789 /nfs/dbraw/zinc/27/37/89/954273789.db2.gz XPBDCUXKHIBXNO-ZIAGYGMSSA-N 1 0 264.394 1.975 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)Cn2ccnn2)cc1Cl ZINC001328759370 955459429 /nfs/dbraw/zinc/45/94/29/955459429.db2.gz RTXRJPGCHRLYNA-NSHDSACASA-N 1 0 296.758 1.096 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001308765450 956574882 /nfs/dbraw/zinc/57/48/82/956574882.db2.gz PPSHBKIYTCYXCK-DGCLKSJQSA-N 1 0 271.744 1.939 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@H](C)N(C)C)c(O)c1 ZINC001308770466 956579296 /nfs/dbraw/zinc/57/92/96/956579296.db2.gz WRIXXAUWPUGEKU-NSHDSACASA-N 1 0 252.358 1.749 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)CCF)c1O ZINC001332718799 957686623 /nfs/dbraw/zinc/68/66/23/957686623.db2.gz UXYUWXUWHMZXNP-LLVKDONJSA-N 1 0 257.305 1.519 20 10 CDCDRO C[NH2+]C[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001333692306 958519546 /nfs/dbraw/zinc/51/95/46/958519546.db2.gz JUBPGRJMMHDNKQ-ZDUSSCGKSA-N 1 0 294.418 1.275 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCNC1=O ZINC001319727768 958703489 /nfs/dbraw/zinc/70/34/89/958703489.db2.gz BGMROFHQIUNUFQ-HNNXBMFYSA-N 1 0 273.380 1.607 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC001335286217 959682562 /nfs/dbraw/zinc/68/25/62/959682562.db2.gz WNWRAMSCEFEDRQ-OAHLLOKOSA-N 1 0 273.380 1.856 20 10 CDCDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC001323566167 960826303 /nfs/dbraw/zinc/82/63/03/960826303.db2.gz GGKWLQBEYMASSI-FLUIGGAXSA-N 1 0 290.363 1.567 20 10 CDCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(N)cc1 ZINC001337017722 960853041 /nfs/dbraw/zinc/85/30/41/960853041.db2.gz DDUDDDBYEBJSDQ-AWEZNQCLSA-N 1 0 290.411 1.752 20 10 CDCDRO CC[NH2+]CCCNC(=O)N[C@H](C)c1ccccc1O ZINC001350213678 966607332 /nfs/dbraw/zinc/60/73/32/966607332.db2.gz HRUWMIGEXBMVOV-LLVKDONJSA-N 1 0 265.357 1.752 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC001353501357 968022851 /nfs/dbraw/zinc/02/28/51/968022851.db2.gz HZMLYUNXOHUKKL-SNVBAGLBSA-N 1 0 272.299 1.051 20 10 CDCDRO Nc1ccc(CC(=O)NCC[C@@H]2CSCC[NH2+]2)cc1 ZINC001353948988 968363362 /nfs/dbraw/zinc/36/33/62/968363362.db2.gz OPRQXABVPOCXDY-CYBMUJFWSA-N 1 0 279.409 1.023 20 10 CDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001576744423 1171505771 /nfs/dbraw/zinc/50/57/71/1171505771.db2.gz JAOAFGRGZPMFCL-GXFFZTMASA-N 1 0 260.337 1.623 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CNCCO2)C2CC2)cc1 ZINC001578425873 1171905199 /nfs/dbraw/zinc/90/51/99/1171905199.db2.gz PVCLMRJNERAODC-QGZVFWFLSA-N 1 0 289.423 1.705 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1O ZINC000091899626 342409034 /nfs/dbraw/zinc/40/90/34/342409034.db2.gz OUUSADQMXYOIEU-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO CNC(=O)CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180186278 357249999 /nfs/dbraw/zinc/24/99/99/357249999.db2.gz QWILDPUKOOVNBO-UHFFFAOYSA-N 1 0 280.343 1.879 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CC[C@H](C)O)cc1OC ZINC000180307693 357261577 /nfs/dbraw/zinc/26/15/77/357261577.db2.gz HMOXOYTZGOSCRF-JTQLQIEISA-N 1 0 269.341 1.612 20 10 CDCDRO CCN1CCN(Cc2cccc(OC)c2O)C(C)(C)C1=O ZINC000190027131 358049957 /nfs/dbraw/zinc/04/99/57/358049957.db2.gz RYHCIMMZSPITNQ-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226610474 359703547 /nfs/dbraw/zinc/70/35/47/359703547.db2.gz ONUAIZSMICXJPS-PELKAZGASA-N 1 0 259.346 1.733 20 10 CDCDRO COc1cc(Cl)cc(C[NH+]2CC(CC(N)=O)C2)c1O ZINC000297397847 200175530 /nfs/dbraw/zinc/17/55/30/200175530.db2.gz LDVJAQCWVCGTLI-UHFFFAOYSA-N 1 0 284.743 1.361 20 10 CDCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000280904234 363676149 /nfs/dbraw/zinc/67/61/49/363676149.db2.gz GATPOUTUPDJBBM-LBPRGKRZSA-N 1 0 296.436 1.980 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCSC1)CC2 ZINC000297744370 200274021 /nfs/dbraw/zinc/27/40/21/200274021.db2.gz OCYMIBHSDSEVEN-RISCZKNCSA-N 1 0 265.378 1.837 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062857679 360013898 /nfs/dbraw/zinc/01/38/98/360013898.db2.gz MORKBIAEODMVOI-OAHLLOKOSA-N 1 0 262.353 1.740 20 10 CDCDRO C[C@@H]1COCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000370989986 360691462 /nfs/dbraw/zinc/69/14/62/360691462.db2.gz AOPYJZGVRMQZNV-JTQLQIEISA-N 1 0 265.309 1.589 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)C1CC[NH2+]CC1 ZINC000238145600 361542415 /nfs/dbraw/zinc/54/24/15/361542415.db2.gz QSLUUFQBFNEEBO-UHFFFAOYSA-N 1 0 288.391 1.887 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000366459149 361686447 /nfs/dbraw/zinc/68/64/47/361686447.db2.gz FLJDIMVVCCKPLU-JSGCOSHPSA-N 1 0 259.353 1.022 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000281820626 363845116 /nfs/dbraw/zinc/84/51/16/363845116.db2.gz RBXGRTJSJGWINI-GOSISDBHSA-N 1 0 269.366 1.402 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c1O ZINC000271110789 364929227 /nfs/dbraw/zinc/92/92/27/364929227.db2.gz UESXROGWOUKAEA-LBPRGKRZSA-N 1 0 279.336 1.786 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000273371042 365489679 /nfs/dbraw/zinc/48/96/79/365489679.db2.gz CKMOZWBKFUUMPA-WCQYABFASA-N 1 0 282.359 1.903 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1 ZINC000273489340 365501153 /nfs/dbraw/zinc/50/11/53/365501153.db2.gz NXJWIYMFYQTZIA-QMTHXVAHSA-N 1 0 291.351 1.519 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000530221052 368150361 /nfs/dbraw/zinc/15/03/61/368150361.db2.gz CDJXSGGXRRAGND-WDEREUQCSA-N 1 0 266.341 1.040 20 10 CDCDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1O ZINC000288194399 369415798 /nfs/dbraw/zinc/41/57/98/369415798.db2.gz CFOJFPXTXGIAFJ-VXGBXAGGSA-N 1 0 290.363 1.797 20 10 CDCDRO COCC1(C(=O)Nc2ccc(N)cc2)CC[NH2+]CC1 ZINC000366788622 374495440 /nfs/dbraw/zinc/49/54/40/374495440.db2.gz VMRLOYAMORBURD-UHFFFAOYSA-N 1 0 263.341 1.224 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000092753923 390896624 /nfs/dbraw/zinc/89/66/24/390896624.db2.gz OYCRCAAVHGYYHC-UHFFFAOYSA-N 1 0 276.384 1.339 20 10 CDCDRO COCC[N@H+](Cc1cc(C)ccc1O)[C@@H](C)C(N)=O ZINC000093139188 390900376 /nfs/dbraw/zinc/90/03/76/390900376.db2.gz DZNVPIUPHKMUGT-NSHDSACASA-N 1 0 266.341 1.023 20 10 CDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000133051343 390900944 /nfs/dbraw/zinc/90/09/44/390900944.db2.gz DZLQLCXWUMNROF-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1cc(OC)ccc1O ZINC000133618129 390903783 /nfs/dbraw/zinc/90/37/83/390903783.db2.gz TXVWOUYDFXDLFC-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO Cc1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O ZINC000183399380 391263035 /nfs/dbraw/zinc/26/30/35/391263035.db2.gz VALQBTNTGVKFBF-AWEZNQCLSA-N 1 0 264.369 1.463 20 10 CDCDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1O ZINC000183413804 391264528 /nfs/dbraw/zinc/26/45/28/391264528.db2.gz XFQYMXUYIQRJNJ-NSHDSACASA-N 1 0 278.352 1.325 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1 ZINC000193687557 391343768 /nfs/dbraw/zinc/34/37/68/391343768.db2.gz SARGMFAFNGRNSK-QMTHXVAHSA-N 1 0 278.352 1.405 20 10 CDCDRO CCOc1cccc(C[NH2+]CCNC(=O)C(C)C)c1O ZINC000020125236 171008192 /nfs/dbraw/zinc/00/81/92/171008192.db2.gz APUCYVMUQBQJPZ-UHFFFAOYSA-N 1 0 280.368 1.653 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NCCF ZINC000296246981 279548779 /nfs/dbraw/zinc/54/87/79/279548779.db2.gz BAPSIAWLFKZQKX-ONGXEEELSA-N 1 0 266.316 1.443 20 10 CDCDRO COCC[C@H]1COCCN1Cc1cc2c(cc1O)OCO2 ZINC000291113629 328262518 /nfs/dbraw/zinc/26/25/18/328262518.db2.gz MTPXQJWCYDGNPU-LBPRGKRZSA-N 1 0 295.335 1.358 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(F)ccc1O ZINC000278730068 327188386 /nfs/dbraw/zinc/18/83/86/327188386.db2.gz JCHNBXYDTOJYLR-BHDSKKPTSA-N 1 0 269.316 1.722 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1F ZINC000377282934 329009860 /nfs/dbraw/zinc/00/98/60/329009860.db2.gz KSJICOAAHPKZOV-ZDUSSCGKSA-N 1 0 289.358 1.930 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c1 ZINC000234866216 333362485 /nfs/dbraw/zinc/36/24/85/333362485.db2.gz LSYJLLYJTOPBDK-OKILXGFUSA-N 1 0 267.325 1.246 20 10 CDCDRO Oc1ccc(CNc2ncc3c(n2)C[NH2+]CC3)cc1O ZINC001169993362 1162029707 /nfs/dbraw/zinc/02/97/07/1162029707.db2.gz MQBYQCFZHVIADD-UHFFFAOYSA-N 1 0 272.308 1.146 20 10 CDCDRO CCOC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccccc1O ZINC000274660480 521158650 /nfs/dbraw/zinc/15/86/50/521158650.db2.gz PHNNBENVYYSOFI-AWEZNQCLSA-N 1 0 267.325 1.138 20 10 CDCDRO CCNC(=O)C1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000277444325 521733579 /nfs/dbraw/zinc/73/35/79/521733579.db2.gz OPYNBGFLAXZCEU-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(C)cc1O ZINC000280130283 522867467 /nfs/dbraw/zinc/86/74/67/522867467.db2.gz OXYUAJPUBJPOIO-GOEBONIOSA-N 1 0 291.439 1.987 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)[NH3+] ZINC000040925572 523265256 /nfs/dbraw/zinc/26/52/56/523265256.db2.gz XVFAKABIFTVNGE-UHFFFAOYSA-N 1 0 291.395 1.219 20 10 CDCDRO CN(C)C(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083552332 523982900 /nfs/dbraw/zinc/98/29/00/523982900.db2.gz WXCOYXVWWLIXHL-UHFFFAOYSA-N 1 0 256.733 1.614 20 10 CDCDRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(O)c1O ZINC000126203391 524046378 /nfs/dbraw/zinc/04/63/78/524046378.db2.gz SJZAYBQWNRTNGC-UHFFFAOYSA-N 1 0 266.341 1.415 20 10 CDCDRO Cc1cccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000279703590 524429592 /nfs/dbraw/zinc/42/95/92/524429592.db2.gz RLYUVBYVKMJFMF-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO Cc1cc(C[NH+]2CCC(NC(N)=O)CC2)ccc1N(C)C ZINC000292928995 524676608 /nfs/dbraw/zinc/67/66/08/524676608.db2.gz YVMTWDCNPGWEEJ-UHFFFAOYSA-N 1 0 290.411 1.694 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2cnn(C)n2)c1 ZINC000293032381 524768667 /nfs/dbraw/zinc/76/86/67/524768667.db2.gz ADMXERQCVHXTAJ-NSHDSACASA-N 1 0 290.367 1.813 20 10 CDCDRO C[S@@](=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000280548077 525359960 /nfs/dbraw/zinc/35/99/60/525359960.db2.gz DNTMRLSJGBDKJT-HXUWFJFHSA-N 1 0 297.376 1.512 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1O ZINC000131141806 525916140 /nfs/dbraw/zinc/91/61/40/525916140.db2.gz LILNWZSEKXJRPI-YPMLDQLKSA-N 1 0 271.382 1.600 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1O ZINC000279803482 526019910 /nfs/dbraw/zinc/01/99/10/526019910.db2.gz NSOJYRDIJNQJJJ-ZDUSSCGKSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000037155504 526029556 /nfs/dbraw/zinc/02/95/56/526029556.db2.gz KOLLYGRYSAUCTO-NSHDSACASA-N 1 0 261.325 1.776 20 10 CDCDRO Oc1ccccc1C[NH2+]CCN1CCCOCC1 ZINC000289467614 526371862 /nfs/dbraw/zinc/37/18/62/526371862.db2.gz PBPMRRKCVWIUIL-UHFFFAOYSA-N 1 0 250.342 1.204 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000237944859 527481107 /nfs/dbraw/zinc/48/11/07/527481107.db2.gz YYUZQERYQNXODS-KRWDZBQOSA-N 1 0 295.386 1.642 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c(O)c1 ZINC000770383453 575443571 /nfs/dbraw/zinc/44/35/71/575443571.db2.gz VLBWQODCJMEJTG-NHYWBVRUSA-N 1 0 265.353 1.994 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1cccc(OC)c1O ZINC000730282025 574909901 /nfs/dbraw/zinc/90/99/01/574909901.db2.gz BHZPQRFGPQCBAC-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000732289052 575087193 /nfs/dbraw/zinc/08/71/93/575087193.db2.gz KCHSRGOZQXIVOT-NEPJUHHUSA-N 1 0 296.392 1.125 20 10 CDCDRO CO[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000733329182 575114967 /nfs/dbraw/zinc/11/49/67/575114967.db2.gz OVKJNMZHDPBSHA-LLVKDONJSA-N 1 0 293.241 1.788 20 10 CDCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774377103 575201740 /nfs/dbraw/zinc/20/17/40/575201740.db2.gz PXVBRYZMOZTAPF-NSHDSACASA-N 1 0 297.355 1.529 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCOC1 ZINC000769532227 575357083 /nfs/dbraw/zinc/35/70/83/575357083.db2.gz IDSLJRCXGFFSOM-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1=CC(=O)CS1 ZINC000771040761 575536789 /nfs/dbraw/zinc/53/67/89/575536789.db2.gz SMSYYXDNASSXDZ-LLVKDONJSA-N 1 0 296.392 1.437 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNCc3cocn3)cc2)CC1 ZINC000771850891 575627492 /nfs/dbraw/zinc/62/74/92/575627492.db2.gz VVEYUTHWAZWQQI-UHFFFAOYSA-N 1 0 286.379 1.716 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000768193270 576263594 /nfs/dbraw/zinc/26/35/94/576263594.db2.gz ZUYGEUQQGHHCAZ-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768446219 576284084 /nfs/dbraw/zinc/28/40/84/576284084.db2.gz LCXPKFKSIRWELT-YGRLFVJLSA-N 1 0 279.336 1.286 20 10 CDCDRO COCC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768448728 576284684 /nfs/dbraw/zinc/28/46/84/576284684.db2.gz WEJSXXNZIBHDOW-HNNXBMFYSA-N 1 0 293.363 1.676 20 10 CDCDRO CCC1(O)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768465331 576287221 /nfs/dbraw/zinc/28/72/21/576287221.db2.gz GZKQWZIVNPVQGU-CQSZACIVSA-N 1 0 293.363 1.555 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC3(C2)OCCO3)c(O)c1 ZINC000769310253 576344521 /nfs/dbraw/zinc/34/45/21/576344521.db2.gz JQFTWLJJXOLEGO-UHFFFAOYSA-N 1 0 279.336 1.740 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000769384698 576350723 /nfs/dbraw/zinc/35/07/23/576350723.db2.gz TYUCDICGSOEBNH-LBPRGKRZSA-N 1 0 281.352 1.374 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC[C@H](C)O)c(O)c1 ZINC000769450430 576355130 /nfs/dbraw/zinc/35/51/30/576355130.db2.gz CTTHXKVFXZGOSG-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C2CC(O)C2)cc1OC ZINC000761221223 576560827 /nfs/dbraw/zinc/56/08/27/576560827.db2.gz BZJAEIMMFFBCGK-UHFFFAOYSA-N 1 0 267.325 1.365 20 10 CDCDRO Cn1cc([C@H](O)C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000742376262 576599066 /nfs/dbraw/zinc/59/90/66/576599066.db2.gz OSEKARTUEQPJTL-CYBMUJFWSA-N 1 0 281.743 1.602 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2cc(C)c(C)cc2O)CCOC1 ZINC000763479411 576738563 /nfs/dbraw/zinc/73/85/63/576738563.db2.gz IQJICLZOUDNNTQ-OAHLLOKOSA-N 1 0 265.353 1.904 20 10 CDCDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1c(O)ccc2ccncc21 ZINC000748264080 576903547 /nfs/dbraw/zinc/90/35/47/576903547.db2.gz QRNBLVBUMAAAAH-OLZOCXBDSA-N 1 0 297.358 1.793 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(O)c1O ZINC000751537840 577049290 /nfs/dbraw/zinc/04/92/90/577049290.db2.gz JTRXBZJFQMYESR-GFCCVEGCSA-N 1 0 290.363 1.620 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000935944955 617596470 /nfs/dbraw/zinc/59/64/70/617596470.db2.gz FMGOZGDMUKQYKR-VXGBXAGGSA-N 1 0 297.395 1.834 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2COC[C@H]2C)c1O ZINC000932495798 617317568 /nfs/dbraw/zinc/31/75/68/617317568.db2.gz HNVYZZLIDRXMGL-OQPBUACISA-N 1 0 267.300 1.858 20 10 CDCDRO CCN1CCO[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759382 617321055 /nfs/dbraw/zinc/32/10/55/617321055.db2.gz AITVYPGRURSSLT-GFCCVEGCSA-N 1 0 298.770 1.383 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c1OC ZINC000892091971 617476295 /nfs/dbraw/zinc/47/62/95/617476295.db2.gz QKOKSMIABLHFBI-HNNXBMFYSA-N 1 0 281.352 1.756 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1O ZINC000892097859 617480326 /nfs/dbraw/zinc/48/03/26/617480326.db2.gz SRTNHQPRVBWKAO-SDDRHHMPSA-N 1 0 277.368 1.893 20 10 CDCDRO COCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891573384 617484447 /nfs/dbraw/zinc/48/44/47/617484447.db2.gz DODCXPRSHMNDQF-UHFFFAOYSA-N 1 0 255.314 1.488 20 10 CDCDRO C[NH+]1CCC(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000044527024 617582638 /nfs/dbraw/zinc/58/26/38/617582638.db2.gz IIFRFXBNMCHYOO-UHFFFAOYSA-N 1 0 262.357 1.732 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891979517 617929638 /nfs/dbraw/zinc/92/96/38/617929638.db2.gz PRJJHGHRLUYHJI-VXGBXAGGSA-N 1 0 277.368 1.752 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)CC2CC2)c1 ZINC000776251779 617613027 /nfs/dbraw/zinc/61/30/27/617613027.db2.gz AEMWPNSJAFZFHQ-GFCCVEGCSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c(O)c1OC ZINC000893685210 617838875 /nfs/dbraw/zinc/83/88/75/617838875.db2.gz KAZQEMACAUJLNR-VXGBXAGGSA-N 1 0 281.352 1.803 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)c(O)c1OC ZINC000893505452 618004376 /nfs/dbraw/zinc/00/43/76/618004376.db2.gz MRNAWQMNHPVPGN-NXEZZACHSA-N 1 0 269.341 1.658 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c(O)c1OC ZINC000893908232 618184999 /nfs/dbraw/zinc/18/49/99/618184999.db2.gz UKENHUCVLVAFSV-JQWIXIFHSA-N 1 0 281.352 1.612 20 10 CDCDRO Cc1n[nH]cc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041572 618677297 /nfs/dbraw/zinc/67/72/97/618677297.db2.gz DSSGCSGQTWYXDK-OAHLLOKOSA-N 1 0 273.384 1.574 20 10 CDCDRO COc1cc(Br)cc(CN(C)CC[NH3+])c1O ZINC000841100044 618682174 /nfs/dbraw/zinc/68/21/74/618682174.db2.gz SHKNONKYPDQXEW-UHFFFAOYSA-N 1 0 289.173 1.554 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000894201148 618693060 /nfs/dbraw/zinc/69/30/60/618693060.db2.gz WTLUXYSYOIOPDO-SNVBAGLBSA-N 1 0 279.258 1.722 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843129943 618694452 /nfs/dbraw/zinc/69/44/52/618694452.db2.gz VBENRVGXXFJTRZ-IUCAKERBSA-N 1 0 283.328 1.524 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2(CO)CCC2)c1O ZINC000894374039 618831231 /nfs/dbraw/zinc/83/12/31/618831231.db2.gz AYUYSLWVARHTRZ-UHFFFAOYSA-N 1 0 251.326 1.714 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCc2nc(C)n[nH]2)c1O ZINC000894429292 618882070 /nfs/dbraw/zinc/88/20/70/618882070.db2.gz DBKPHNLISJTICB-UHFFFAOYSA-N 1 0 276.340 1.468 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895327950 619565693 /nfs/dbraw/zinc/56/56/93/619565693.db2.gz FGVHGVYFYZYOIW-SWLSCSKDSA-N 1 0 281.352 1.109 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c(O)c1OC ZINC000895434464 619660886 /nfs/dbraw/zinc/66/08/86/619660886.db2.gz VXMQSGRWMUGKMY-CYBMUJFWSA-N 1 0 294.351 1.024 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(OC)ccc1O ZINC000896622078 620171043 /nfs/dbraw/zinc/17/10/43/620171043.db2.gz SYOLOVDNDADUSU-CQSZACIVSA-N 1 0 294.395 1.601 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cncnc1 ZINC000121290983 620368289 /nfs/dbraw/zinc/36/82/89/620368289.db2.gz JXFNXNBFIBHSLU-UHFFFAOYSA-N 1 0 298.390 1.945 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897202699 620413394 /nfs/dbraw/zinc/41/33/94/620413394.db2.gz WOFGFZNQKUITRU-LBPRGKRZSA-N 1 0 255.289 1.426 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897684687 621073308 /nfs/dbraw/zinc/07/33/08/621073308.db2.gz VEXIDDYYVOLFPN-IINYFYTJSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cc(O)c(C[NH2+]Cc2cn(C)cn2)cc1OC ZINC000898044766 621277848 /nfs/dbraw/zinc/27/78/48/621277848.db2.gz BQLLTYOAFLRXAW-UHFFFAOYSA-N 1 0 277.324 1.433 20 10 CDCDRO c1cc(N2CCCCC2)ccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077468 626046917 /nfs/dbraw/zinc/04/69/17/626046917.db2.gz MRDAAUXHMQMBFN-FVQHAEBGSA-N 1 0 271.408 1.984 20 10 CDCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877048650 630593002 /nfs/dbraw/zinc/59/30/02/630593002.db2.gz NRAZQAPSEHQUMZ-ZWNOBZJWSA-N 1 0 255.383 1.903 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC000153948641 631968649 /nfs/dbraw/zinc/96/86/49/631968649.db2.gz HOUAJBMOYNADEY-LLVKDONJSA-N 1 0 292.379 1.920 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC([NH3+])CC2)cc1 ZINC000841653282 693904075 /nfs/dbraw/zinc/90/40/75/693904075.db2.gz IRIABIFCNXJRFQ-UHFFFAOYSA-N 1 0 276.384 1.385 20 10 CDCDRO COC1(C[NH2+]Cc2c(C)cccc2O)CCOCC1 ZINC000877113257 693911507 /nfs/dbraw/zinc/91/15/07/693911507.db2.gz FSRJFNGEULOWNZ-UHFFFAOYSA-N 1 0 265.353 1.986 20 10 CDCDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854654199 693968401 /nfs/dbraw/zinc/96/84/01/693968401.db2.gz JKLVQQVVSKXKNL-QGSKFPASSA-N 1 0 290.363 1.662 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000829764742 693976824 /nfs/dbraw/zinc/97/68/24/693976824.db2.gz VUWYXIMYVPBQIL-WFASDCNBSA-N 1 0 275.396 1.675 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCNC2=O)c1 ZINC000846843773 694002854 /nfs/dbraw/zinc/00/28/54/694002854.db2.gz HBPXTILCGFCXLC-GHMZBOCLSA-N 1 0 278.352 1.578 20 10 CDCDRO CC[NH2+]CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841653291 694037959 /nfs/dbraw/zinc/03/79/59/694037959.db2.gz IXWFXMUBKDNIGF-UHFFFAOYSA-N 1 0 278.400 1.551 20 10 CDCDRO C[C@H](NC(=O)CC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237604138 694057002 /nfs/dbraw/zinc/05/70/02/694057002.db2.gz OYAWLFQVWKASAH-LBPRGKRZSA-N 1 0 277.368 1.049 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000776253515 694066092 /nfs/dbraw/zinc/06/60/92/694066092.db2.gz XDZLQDFDIMFEHI-QWHCGFSZSA-N 1 0 262.353 1.705 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000783733033 694073979 /nfs/dbraw/zinc/07/39/79/694073979.db2.gz FKNUAMSSMKPRSW-YGRLFVJLSA-N 1 0 283.755 1.868 20 10 CDCDRO COCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000062103317 694127901 /nfs/dbraw/zinc/12/79/01/694127901.db2.gz SHWMYYMHQCJMQA-UHFFFAOYSA-N 1 0 268.332 1.398 20 10 CDCDRO COCCOCCC[NH2+]Cc1c(C)cccc1O ZINC000876903190 688350176 /nfs/dbraw/zinc/35/01/76/688350176.db2.gz SHIDQOZIKQUFDY-UHFFFAOYSA-N 1 0 253.342 1.843 20 10 CDCDRO COc1cccc(C[NH2+]C(C)(C)CN2CCOCC2)c1O ZINC000308641068 688402673 /nfs/dbraw/zinc/40/26/73/688402673.db2.gz YKFKZVSOAFLSGX-UHFFFAOYSA-N 1 0 294.395 1.601 20 10 CDCDRO COCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000828960314 688528971 /nfs/dbraw/zinc/52/89/71/688528971.db2.gz TXIVPMHYDGSNAJ-CZUORRHYSA-N 1 0 296.411 1.427 20 10 CDCDRO C[NH2+]CCCNC(=O)NCCCSc1nccs1 ZINC000841858390 688530847 /nfs/dbraw/zinc/53/08/47/688530847.db2.gz YFKNPCPMOUHYAK-UHFFFAOYSA-N 1 0 288.442 1.534 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846212959 688571155 /nfs/dbraw/zinc/57/11/55/688571155.db2.gz ORZZITQUSHCFJE-BLLLJJGKSA-N 1 0 295.379 1.983 20 10 CDCDRO OC[C@@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000877780394 688618417 /nfs/dbraw/zinc/61/84/17/688618417.db2.gz PAAOTWPSYNYRBD-SNVBAGLBSA-N 1 0 283.349 1.031 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000817969588 688627919 /nfs/dbraw/zinc/62/79/19/688627919.db2.gz XVNCDPZIMIPTTI-WCQYABFASA-N 1 0 292.379 1.972 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[NH+]3CCCC3)ccc21 ZINC000874250868 688640301 /nfs/dbraw/zinc/64/03/01/688640301.db2.gz ADBVJWGIAOBJBL-UHFFFAOYSA-N 1 0 287.407 1.781 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843051079 688711887 /nfs/dbraw/zinc/71/18/87/688711887.db2.gz DHWMANPGQLNWPL-QWRGUYRKSA-N 1 0 278.352 1.680 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000835060437 688756848 /nfs/dbraw/zinc/75/68/48/688756848.db2.gz LRIMVGAAUIAQGI-CQSZACIVSA-N 1 0 298.770 1.813 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000827699075 694230342 /nfs/dbraw/zinc/23/03/42/694230342.db2.gz DRNJGJHHQXOGHN-IAQYHMDHSA-N 1 0 265.353 1.851 20 10 CDCDRO CCOc1ccc(C[NH2+]CCN2CCCOCC2)c(O)c1 ZINC000809750841 694232355 /nfs/dbraw/zinc/23/23/55/694232355.db2.gz JYWCZHQNHZCVEU-UHFFFAOYSA-N 1 0 294.395 1.603 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C1CC1 ZINC000809751136 688846123 /nfs/dbraw/zinc/84/61/23/688846123.db2.gz CPQBZRDZQOKXKU-KRWDZBQOSA-N 1 0 290.407 1.726 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCn3ccnc3C1)OCO2 ZINC000778187656 688853943 /nfs/dbraw/zinc/85/39/43/688853943.db2.gz CANPOMBDSYGDQT-NSHDSACASA-N 1 0 287.319 1.422 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000852811505 694246072 /nfs/dbraw/zinc/24/60/72/694246072.db2.gz OQTZMQLXFZOLCS-CQSZACIVSA-N 1 0 276.380 1.885 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000876653375 694293072 /nfs/dbraw/zinc/29/30/72/694293072.db2.gz YTJCLVXLIQZASL-KBPBESRZSA-N 1 0 274.364 1.944 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)c(O)c1O ZINC000780940513 694317265 /nfs/dbraw/zinc/31/72/65/694317265.db2.gz OTYWLXXRKGQICZ-LBPRGKRZSA-N 1 0 280.368 1.722 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]C2CC2)cc1 ZINC000178924829 694331975 /nfs/dbraw/zinc/33/19/75/694331975.db2.gz ICAJYVNNTJGTKY-UHFFFAOYSA-N 1 0 275.396 1.901 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCCn1cncn1)CC2 ZINC000381701042 694346985 /nfs/dbraw/zinc/34/69/85/694346985.db2.gz OUSQLOQSEGBIHB-GFCCVEGCSA-N 1 0 258.325 1.651 20 10 CDCDRO COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCCC[NH2+]2)c1 ZINC000817949688 694368486 /nfs/dbraw/zinc/36/84/86/694368486.db2.gz MIWYUKGWTWESNZ-WCQYABFASA-N 1 0 292.379 1.972 20 10 CDCDRO CS(=O)(=O)CCCCN1CCCc2cc(C[NH3+])ccc21 ZINC000707313805 694372447 /nfs/dbraw/zinc/37/24/47/694372447.db2.gz GEGWUPFUMXJLKX-UHFFFAOYSA-N 1 0 296.436 1.723 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1 ZINC000886229890 694390540 /nfs/dbraw/zinc/39/05/40/694390540.db2.gz XJYKWPMZWXQLJW-UONOGXRCSA-N 1 0 295.379 1.811 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876727753 694417608 /nfs/dbraw/zinc/41/76/08/694417608.db2.gz BINGFSDOXNPWNU-CYBMUJFWSA-N 1 0 275.396 1.901 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000876541516 694453035 /nfs/dbraw/zinc/45/30/35/694453035.db2.gz FWHYUVUZNCHGII-OAHLLOKOSA-N 1 0 290.407 1.997 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CC[C@@H](O)C1)CC2 ZINC000858546882 692334701 /nfs/dbraw/zinc/33/47/01/692334701.db2.gz AWPPLYQJYSUFIW-OLZOCXBDSA-N 1 0 262.353 1.036 20 10 CDCDRO COCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020085568 692336932 /nfs/dbraw/zinc/33/69/32/692336932.db2.gz ZNKZTHHVBWLUFI-UHFFFAOYSA-N 1 0 250.342 1.259 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000817983133 692347112 /nfs/dbraw/zinc/34/71/12/692347112.db2.gz YSUYMGJJQROBHO-GMXVVIOVSA-N 1 0 292.379 1.957 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCn1cncn1 ZINC000840931747 692383046 /nfs/dbraw/zinc/38/30/46/692383046.db2.gz JQTLEPALRNWHPK-UHFFFAOYSA-N 1 0 273.384 1.832 20 10 CDCDRO NC(=O)CC1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000817410931 692384490 /nfs/dbraw/zinc/38/44/90/692384490.db2.gz JUTFTAVCOLVECJ-UHFFFAOYSA-N 1 0 268.744 1.791 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc1 ZINC000067005631 692395926 /nfs/dbraw/zinc/39/59/26/692395926.db2.gz FRBLKYOGAFDGSE-UHFFFAOYSA-N 1 0 299.440 1.170 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000841651898 692442107 /nfs/dbraw/zinc/44/21/07/692442107.db2.gz CETIWNJFLMYEFR-DOMZBBRYSA-N 1 0 290.411 1.631 20 10 CDCDRO Cc1cccc(C[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846109338 692463751 /nfs/dbraw/zinc/46/37/51/692463751.db2.gz TYMFMAHRYYEUAH-OAHLLOKOSA-N 1 0 265.353 1.722 20 10 CDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000227974259 692524043 /nfs/dbraw/zinc/52/40/43/692524043.db2.gz PTCWAVSJWPDFJW-NOZJJQNGSA-N 1 0 271.744 1.675 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779520492 692559359 /nfs/dbraw/zinc/55/93/59/692559359.db2.gz IEXUAJBHOSIPQS-UPZNUWHASA-N 1 0 292.379 1.958 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000851655622 692590782 /nfs/dbraw/zinc/59/07/82/692590782.db2.gz XZNVQJJWKNUZSC-LLVKDONJSA-N 1 0 264.373 1.160 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)C(=O)N1CCOCC1 ZINC000877077169 694537498 /nfs/dbraw/zinc/53/74/98/694537498.db2.gz YJJCVKUCGHKYFT-CQSZACIVSA-N 1 0 292.379 1.428 20 10 CDCDRO CCn1nc(C)c(C[NH2+]Cc2c(C)cccc2O)n1 ZINC000877598828 692600949 /nfs/dbraw/zinc/60/09/49/692600949.db2.gz UKIUBAYBMXXGPF-UHFFFAOYSA-N 1 0 260.341 1.910 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000382544462 692659924 /nfs/dbraw/zinc/65/99/24/692659924.db2.gz CJACSTMKOQSRBE-HZMBPMFUSA-N 1 0 269.341 1.449 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877005653 692702029 /nfs/dbraw/zinc/70/20/29/692702029.db2.gz KPINCVRNTQJZQZ-UHFFFAOYSA-N 1 0 257.355 1.225 20 10 CDCDRO COc1cccc(C[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000310917338 692750882 /nfs/dbraw/zinc/75/08/82/692750882.db2.gz FIEMYFPAFLTCCY-AWEZNQCLSA-N 1 0 251.326 1.651 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000877493478 692755327 /nfs/dbraw/zinc/75/53/27/692755327.db2.gz BWHTWJGNXPRWLI-OLZOCXBDSA-N 1 0 265.353 1.435 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843489301 692800749 /nfs/dbraw/zinc/80/07/49/692800749.db2.gz APEAOYIQAVWIDR-DFBGVHRSSA-N 1 0 286.375 1.638 20 10 CDCDRO COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCC[NH2+]2)c1 ZINC000817952621 692843973 /nfs/dbraw/zinc/84/39/73/692843973.db2.gz RWIMDHOHGIXWFU-ZYHUDNBSSA-N 1 0 278.352 1.581 20 10 CDCDRO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2CO)ccc1N(C)C ZINC000879000713 692873909 /nfs/dbraw/zinc/87/39/09/692873909.db2.gz IAORAIUDFJZDIY-OAHLLOKOSA-N 1 0 277.412 1.169 20 10 CDCDRO COCCOCC[N@H+](C)Cc1c(C)cccc1O ZINC000877535651 692886962 /nfs/dbraw/zinc/88/69/62/692886962.db2.gz CTRFPYUNPFXBRY-UHFFFAOYSA-N 1 0 253.342 1.795 20 10 CDCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000133462824 694563179 /nfs/dbraw/zinc/56/31/79/694563179.db2.gz CWVRVQKUUCOCOW-UKRRQHHQSA-N 1 0 277.412 1.609 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000877489019 693008476 /nfs/dbraw/zinc/00/84/76/693008476.db2.gz JPMCHYNYLPWVFS-BXUZGUMPSA-N 1 0 251.326 1.330 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000877618148 693023837 /nfs/dbraw/zinc/02/38/37/693023837.db2.gz JBYKBSWKIRDJGB-GFCCVEGCSA-N 1 0 272.352 1.476 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846158881 693036212 /nfs/dbraw/zinc/03/62/12/693036212.db2.gz LUUXLLFKIOFMEH-SNVBAGLBSA-N 1 0 280.368 1.824 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c1ccccc1O ZINC000868674928 693039966 /nfs/dbraw/zinc/03/99/66/693039966.db2.gz DOTNVULXHYPRIF-WDEREUQCSA-N 1 0 265.357 1.703 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC(C)(C)C[NH3+])cc1F ZINC000841760283 693049238 /nfs/dbraw/zinc/04/92/38/693049238.db2.gz JSVQDLOLAAKJSA-UHFFFAOYSA-N 1 0 282.363 1.428 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@]2(CO)CCOC2)c1 ZINC000862427137 693057368 /nfs/dbraw/zinc/05/73/68/693057368.db2.gz UJFPKPFYVYLXQT-HNNXBMFYSA-N 1 0 281.352 1.374 20 10 CDCDRO CC[S@@](=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858132885 693087524 /nfs/dbraw/zinc/08/75/24/693087524.db2.gz HICDSCGCSCNJSL-LJQANCHMSA-N 1 0 290.379 1.889 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1cc(C)ccc1O ZINC000862759386 693115706 /nfs/dbraw/zinc/11/57/06/693115706.db2.gz CZXDRVLRHYNKPQ-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO OCC1([NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000225772440 693131489 /nfs/dbraw/zinc/13/14/89/693131489.db2.gz IAOKFLJFDNXLGV-UHFFFAOYSA-N 1 0 263.337 1.253 20 10 CDCDRO C[NH2+][C@@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC000053201223 694582707 /nfs/dbraw/zinc/58/27/07/694582707.db2.gz MRUVUIZTYQYCSU-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO COC1(C[NH2+]Cc2ccc(C)cc2O)CCOCC1 ZINC000877113813 694588046 /nfs/dbraw/zinc/58/80/46/694588046.db2.gz PJUGUQCRLDQFKE-UHFFFAOYSA-N 1 0 265.353 1.986 20 10 CDCDRO C[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)C(=O)N(C)C ZINC000886549255 693269216 /nfs/dbraw/zinc/26/92/16/693269216.db2.gz FCWVUVGMHWTHOM-RKDXNWHRSA-N 1 0 254.305 1.659 20 10 CDCDRO OCC[NH2+]C1CCN(Cc2cccc(F)c2O)CC1 ZINC000873217956 693277120 /nfs/dbraw/zinc/27/71/20/693277120.db2.gz VVOXOAFDXZLGKQ-UHFFFAOYSA-N 1 0 268.332 1.078 20 10 CDCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@]1(CO)CCOC1 ZINC000862426264 693295749 /nfs/dbraw/zinc/29/57/49/693295749.db2.gz BYPDJZKTECXBPB-CYBMUJFWSA-N 1 0 255.289 1.115 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCCC2)c1 ZINC000135728571 693365753 /nfs/dbraw/zinc/36/57/53/693365753.db2.gz XQKZEAJQEGCBIS-LLVKDONJSA-N 1 0 278.352 1.674 20 10 CDCDRO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c(O)c1 ZINC000873215795 693378797 /nfs/dbraw/zinc/37/87/97/693378797.db2.gz FQZDNVYWUBOGLB-BETUJISGSA-N 1 0 262.353 1.727 20 10 CDCDRO CC(C)(CO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000128912459 694676243 /nfs/dbraw/zinc/67/62/43/694676243.db2.gz OZHJBLHTGJVIEF-UHFFFAOYSA-N 1 0 278.396 1.631 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+]1C ZINC000779526102 693403354 /nfs/dbraw/zinc/40/33/54/693403354.db2.gz VJNJURWILGXEGA-YJLKIPLNSA-N 1 0 290.363 1.710 20 10 CDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827008810 693404726 /nfs/dbraw/zinc/40/47/26/693404726.db2.gz WUUAZHGBMCAJHU-UONOGXRCSA-N 1 0 259.353 1.250 20 10 CDCDRO CCc1nc(CNCc2cc3c(cc2O)OCO3)co1 ZINC000825049879 693416934 /nfs/dbraw/zinc/41/69/34/693416934.db2.gz FBCLVBZPBZWBAF-UHFFFAOYSA-N 1 0 276.292 1.961 20 10 CDCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@H](C)OC ZINC000823576344 693422446 /nfs/dbraw/zinc/42/24/46/693422446.db2.gz NGDNPRMIFHGCIP-LBPRGKRZSA-N 1 0 281.352 1.792 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831726 693434405 /nfs/dbraw/zinc/43/44/05/693434405.db2.gz CZZAYCXBJFNUGS-UHFFFAOYSA-N 1 0 288.395 1.472 20 10 CDCDRO CN(C)c1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC000921496113 693463578 /nfs/dbraw/zinc/46/35/78/693463578.db2.gz NQPUUQXXLJQFTM-UHFFFAOYSA-N 1 0 286.379 1.769 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCCNC2=O)c1O ZINC000846139531 694747866 /nfs/dbraw/zinc/74/78/66/694747866.db2.gz UVMMOBUQUBIDNN-JQWIXIFHSA-N 1 0 278.352 1.720 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000852800005 694748132 /nfs/dbraw/zinc/74/81/32/694748132.db2.gz VZNUGCTZCQEKMY-LBPRGKRZSA-N 1 0 267.348 1.506 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000851656534 694751587 /nfs/dbraw/zinc/75/15/87/694751587.db2.gz MOAJSMYEOQMWDS-ZDUSSCGKSA-N 1 0 288.395 1.470 20 10 CDCDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C[N@@H+]1C ZINC000779547412 694756138 /nfs/dbraw/zinc/75/61/38/694756138.db2.gz KNBZYLLEMCRSEV-BAEOLTKYSA-N 1 0 290.363 1.662 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000851656533 694800453 /nfs/dbraw/zinc/80/04/53/694800453.db2.gz MOAJSMYEOQMWDS-CYBMUJFWSA-N 1 0 288.395 1.470 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876746530 694821761 /nfs/dbraw/zinc/82/17/61/694821761.db2.gz RWKGITBKVBUVLN-KRWDZBQOSA-N 1 0 290.407 1.868 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000877179164 694634923 /nfs/dbraw/zinc/63/49/23/694634923.db2.gz MNSUCYPVRSZYNS-MQMHXKEQSA-N 1 0 261.369 1.445 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1cc(Cl)ccc1O ZINC000817982053 694638175 /nfs/dbraw/zinc/63/81/75/694638175.db2.gz BFZTVXBQWXZLJL-ONGXEEELSA-N 1 0 270.760 1.685 20 10 CDCDRO Cc1cccc(C[NH2+]CC(C)(C)S(C)(=O)=O)c1O ZINC000124851064 694638727 /nfs/dbraw/zinc/63/87/27/694638727.db2.gz JMJBNGGAOBYNMJ-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO COC(=O)c1ccc(O)c([C@@H](C)NCC[NH2+]C2CC2)c1 ZINC000817952556 694700942 /nfs/dbraw/zinc/70/09/42/694700942.db2.gz FVVTYJHYPSVCKH-SNVBAGLBSA-N 1 0 278.352 1.581 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(CO)(CO)CC2)c(O)c1 ZINC000877797289 694719500 /nfs/dbraw/zinc/71/95/00/694719500.db2.gz FVIGBPRJKCZAQY-UHFFFAOYSA-N 1 0 295.379 1.358 20 10 CDCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877086774 694742303 /nfs/dbraw/zinc/74/23/03/694742303.db2.gz APKMRVVKCORJDG-GFCCVEGCSA-N 1 0 262.353 1.801 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000883107651 694777423 /nfs/dbraw/zinc/77/74/23/694777423.db2.gz GEGPBPJWVBIPAE-VIFPVBQESA-N 1 0 259.733 1.451 20 10 CDCDRO C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C[NH3+] ZINC000237507254 694833207 /nfs/dbraw/zinc/83/32/07/694833207.db2.gz OGNBILOKKYCIJL-BXUZGUMPSA-N 1 0 261.369 1.397 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841966286 694836600 /nfs/dbraw/zinc/83/66/00/694836600.db2.gz BECXHLKQPQUSMX-LBPRGKRZSA-N 1 0 278.400 1.631 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2c(C)cccc2O)C1 ZINC000877607388 694846441 /nfs/dbraw/zinc/84/64/41/694846441.db2.gz ACQHYCFALZZBDF-VXGBXAGGSA-N 1 0 279.336 1.056 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358290 694852012 /nfs/dbraw/zinc/85/20/12/694852012.db2.gz CGHKKVGYFBRHRT-JTQLQIEISA-N 1 0 286.322 1.272 20 10 CDCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113330100 694865115 /nfs/dbraw/zinc/86/51/15/694865115.db2.gz BTDMUGUFVHDQFZ-NSHDSACASA-N 1 0 277.347 1.662 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281160563 694897074 /nfs/dbraw/zinc/89/70/74/694897074.db2.gz GECCUICUEGJWRE-NEPJUHHUSA-N 1 0 292.335 1.331 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])CC2CC2)cc1F ZINC000884205473 695051782 /nfs/dbraw/zinc/05/17/82/695051782.db2.gz XTQNHHVLZYHGEV-ZDUSSCGKSA-N 1 0 279.359 1.635 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H](C)O1 ZINC000877465164 695146542 /nfs/dbraw/zinc/14/65/42/695146542.db2.gz VNKFYHCCZPIJHV-OLZOCXBDSA-N 1 0 265.353 1.936 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)cn2)c1 ZINC000851899915 695149490 /nfs/dbraw/zinc/14/94/90/695149490.db2.gz KCCZGUARINMMNL-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO COC1(CO)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000775203643 695154302 /nfs/dbraw/zinc/15/43/02/695154302.db2.gz GIWRVHWCNQRZFI-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827141578 695164053 /nfs/dbraw/zinc/16/40/53/695164053.db2.gz UVTMFRYBEVQSLH-DGCLKSJQSA-N 1 0 290.363 1.501 20 10 CDCDRO C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(C(=O)[O-])ccc1O ZINC001609780080 1165078519 /nfs/dbraw/zinc/07/85/19/1165078519.db2.gz SLBCWXKANRHZMR-VIFPVBQESA-N 1 0 264.325 1.622 20 10 CDCDRO CN(C)c1ccc(/C=C\CNC[C@@]2(O)CC[NH2+]C2)cc1 ZINC001578425864 1171905431 /nfs/dbraw/zinc/90/54/31/1171905431.db2.gz PPCYEJATVQIHQD-QGZUEGPWSA-N 1 0 275.396 1.080 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@]1(C)C[NH2+]CCO1)c1ccccc1O ZINC001579411628 1172169764 /nfs/dbraw/zinc/16/97/64/1172169764.db2.gz YXWPRVZUXBWNDP-IAQYHMDHSA-N 1 0 293.367 1.131 20 10 CDCDRO Cc1cc(O)c(CN2CCN(C)C[C@H]2C[NH3+])cc1Cl ZINC001579637885 1172230651 /nfs/dbraw/zinc/23/06/51/1172230651.db2.gz GKYCMXHAKOVCOP-GFCCVEGCSA-N 1 0 283.803 1.429 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2)cc1 ZINC000863544690 723094547 /nfs/dbraw/zinc/09/45/47/723094547.db2.gz BITUBBKOHHIHMU-UKRRQHHQSA-N 1 0 277.412 1.782 20 10 CDCDRO COc1cc(O)c(C[NH2+]C2(C)COC2)cc1OC ZINC000877690609 723135537 /nfs/dbraw/zinc/13/55/37/723135537.db2.gz CNYDVISJJGWBRE-UHFFFAOYSA-N 1 0 253.298 1.288 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666915 723193631 /nfs/dbraw/zinc/19/36/31/723193631.db2.gz KAXMMYJZFFGUMP-QKCSRTOESA-N 1 0 292.379 1.966 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)c1 ZINC000809972078 723209508 /nfs/dbraw/zinc/20/95/08/723209508.db2.gz QHFBJHVEBPQARM-WCQYABFASA-N 1 0 294.395 1.507 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000294002756 723231288 /nfs/dbraw/zinc/23/12/88/723231288.db2.gz MIDVPHPGSGNUNK-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1ccccc1O ZINC000879648995 723416201 /nfs/dbraw/zinc/41/62/01/723416201.db2.gz IRFHFZVBQAMANY-ZJUUUORDSA-N 1 0 291.351 1.420 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237815 723419708 /nfs/dbraw/zinc/41/97/08/723419708.db2.gz XAUJVCBCUZUILP-VIFPVBQESA-N 1 0 286.169 1.969 20 10 CDCDRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000841827372 723526881 /nfs/dbraw/zinc/52/68/81/723526881.db2.gz MVHFINLDOJIOFG-AWEZNQCLSA-N 1 0 290.411 1.564 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000846170044 723553356 /nfs/dbraw/zinc/55/33/56/723553356.db2.gz VDJXIBUASCTJOY-QWRGUYRKSA-N 1 0 278.352 1.578 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(C)c2O)C1 ZINC000843434111 723554701 /nfs/dbraw/zinc/55/47/01/723554701.db2.gz HTSCBRAVPCBCCE-OLZOCXBDSA-N 1 0 279.336 1.056 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccccc1O ZINC000870988163 723633498 /nfs/dbraw/zinc/63/34/98/723633498.db2.gz HFICICNWDBDHCD-KFNAQCHYSA-N 1 0 274.364 1.959 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1=O ZINC000391649071 723652341 /nfs/dbraw/zinc/65/23/41/723652341.db2.gz WBUREIQPBQNTPX-LLVKDONJSA-N 1 0 298.770 1.765 20 10 CDCDRO COc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)c(O)c1 ZINC000803292162 723673929 /nfs/dbraw/zinc/67/39/29/723673929.db2.gz JGMUMGCLFUBLKQ-UHFFFAOYSA-N 1 0 297.314 1.979 20 10 CDCDRO OCCC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000825338342 723666065 /nfs/dbraw/zinc/66/60/65/723666065.db2.gz ONNMGAJOTHYUAS-LLVKDONJSA-N 1 0 279.336 1.715 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCCN(C(N)=O)CC2)c1O ZINC000848885674 723669275 /nfs/dbraw/zinc/66/92/75/723669275.db2.gz QICFRSGOHVCBRV-UHFFFAOYSA-N 1 0 277.368 1.541 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H]([NH3+])C2)cc1OC ZINC000843044283 723685639 /nfs/dbraw/zinc/68/56/39/723685639.db2.gz ZXUXBKBDFZICBB-NSHDSACASA-N 1 0 266.341 1.333 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000835075357 723688932 /nfs/dbraw/zinc/68/89/32/723688932.db2.gz WYOZNEARKHWDAX-HZPDHXFCSA-N 1 0 287.407 1.996 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c(O)c1 ZINC000842011322 723096698 /nfs/dbraw/zinc/09/66/98/723096698.db2.gz SKEPBEAHXHEDIS-JQWIXIFHSA-N 1 0 293.367 1.327 20 10 CDCDRO [NH3+][C@@H](CC(=O)NCCCSc1nccs1)C1CC1 ZINC000829528157 723216050 /nfs/dbraw/zinc/21/60/50/723216050.db2.gz MHYCPDGZTZZLSQ-JTQLQIEISA-N 1 0 285.438 1.869 20 10 CDCDRO O[C@@H]1CCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922294001 723275502 /nfs/dbraw/zinc/27/55/02/723275502.db2.gz IXDQEDISSTVVGZ-OAHLLOKOSA-N 1 0 276.380 1.168 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000821807242 723373838 /nfs/dbraw/zinc/37/38/38/723373838.db2.gz OXFYISCLLIDUSF-LLVKDONJSA-N 1 0 292.379 1.487 20 10 CDCDRO COC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H]1CCCOC1 ZINC000886359606 723380112 /nfs/dbraw/zinc/38/01/12/723380112.db2.gz GMHBOXIVCOTMKL-KGLIPLIRSA-N 1 0 295.379 1.932 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1 ZINC000824709758 723463393 /nfs/dbraw/zinc/46/33/93/723463393.db2.gz SOPORLWCWYIYDE-XHDPSFHLSA-N 1 0 281.352 1.542 20 10 CDCDRO C=Cn1cc(C[NH2+]Cc2cc(OC)ccc2O)cn1 ZINC000194312354 723468332 /nfs/dbraw/zinc/46/83/32/723468332.db2.gz RMECUCYTNSKLBX-UHFFFAOYSA-N 1 0 259.309 1.988 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCNC2=O)c1 ZINC000839196721 723548467 /nfs/dbraw/zinc/54/84/67/723548467.db2.gz XRYWPPWVROSHBC-SNVBAGLBSA-N 1 0 264.325 1.017 20 10 CDCDRO COc1ccc(N(C)CCN(C)CC(C)(C)[NH3+])cc1 ZINC000844902292 723666782 /nfs/dbraw/zinc/66/67/82/723666782.db2.gz OUVCWELJCGNATH-UHFFFAOYSA-N 1 0 265.401 1.801 20 10 CDCDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877083961 1165972126 /nfs/dbraw/zinc/97/21/26/1165972126.db2.gz CGHJWGSNJGVSNW-ZDUSSCGKSA-N 1 0 277.368 1.594 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000126960439 1166155141 /nfs/dbraw/zinc/15/51/41/1166155141.db2.gz SVEDYRAJYIIARS-GFCCVEGCSA-N 1 0 285.365 1.068 20 10 CDCDRO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649137 1166392764 /nfs/dbraw/zinc/39/27/64/1166392764.db2.gz MQRAZPDJYSIMMS-GHMZBOCLSA-N 1 0 293.367 1.666 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@@H]1O ZINC001233483458 912827100 /nfs/dbraw/zinc/82/71/00/912827100.db2.gz ZWODMHXQDHMHLW-KOLCDFICSA-N 1 0 267.325 1.396 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000699842005 914342668 /nfs/dbraw/zinc/34/26/68/914342668.db2.gz XLDVHUQBNZLYCR-JQWIXIFHSA-N 1 0 251.326 1.915 20 10 CDCDRO OCCCC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000093383308 900531268 /nfs/dbraw/zinc/53/12/68/900531268.db2.gz FZSSSBJGQZUIJY-UHFFFAOYSA-N 1 0 279.336 1.858 20 10 CDCDRO COc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c(O)c1 ZINC000092538911 900817683 /nfs/dbraw/zinc/81/76/83/900817683.db2.gz QDKIFNNGUMHLMD-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO COc1cc(N(C)C[C@H](C)[NH3+])cc(OC)c1OC ZINC000258803083 900965546 /nfs/dbraw/zinc/96/55/46/900965546.db2.gz RMWDYXJOEIBJDM-VIFPVBQESA-N 1 0 254.330 1.496 20 10 CDCDRO C[NH2+][C@@]12CC[C@@](NC(=O)c3cccc(O)c3O)(C1)CCC2 ZINC001269607756 903975615 /nfs/dbraw/zinc/97/56/15/903975615.db2.gz IXWNNWPSMWWXFX-JKSUJKDBSA-N 1 0 290.363 1.892 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000840940950 906736766 /nfs/dbraw/zinc/73/67/66/906736766.db2.gz OSTQOMVYDCHZDQ-CZUORRHYSA-N 1 0 278.396 1.691 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2(F)F)cc1C ZINC001126782127 908823534 /nfs/dbraw/zinc/82/35/34/908823534.db2.gz NVAJKQZIWPKTKE-LBPRGKRZSA-N 1 0 298.333 1.865 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)NC ZINC000697915073 909575650 /nfs/dbraw/zinc/57/56/50/909575650.db2.gz FTLKIIJPMSLADY-SNVBAGLBSA-N 1 0 286.759 1.668 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCOC2)cc1C ZINC001124508828 936321009 /nfs/dbraw/zinc/32/10/09/936321009.db2.gz IVVXRBAPNHRYJN-AWEZNQCLSA-N 1 0 292.379 1.246 20 10 CDCDRO CC[NH+](CC)CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001180390238 916310067 /nfs/dbraw/zinc/31/00/67/916310067.db2.gz WIUGXYOLNZGUQM-UHFFFAOYSA-N 1 0 292.379 1.714 20 10 CDCDRO C[C@@]1(CO)C[N@H+](Cc2c([O-])cccc2F)CC[C@@H]1O ZINC001137832912 936417561 /nfs/dbraw/zinc/41/75/61/936417561.db2.gz MBEODSZJSGLMER-KBPBESRZSA-N 1 0 269.316 1.097 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@H](C[NH3+])C2)cc1C ZINC000843068574 919405844 /nfs/dbraw/zinc/40/58/44/919405844.db2.gz LFBQRMSRANBCRS-CYBMUJFWSA-N 1 0 250.342 1.169 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c(O)c1 ZINC001203620750 919677694 /nfs/dbraw/zinc/67/76/94/919677694.db2.gz HNKRPCIUMWYJQZ-BXUZGUMPSA-N 1 0 265.353 1.994 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386482254 936631582 /nfs/dbraw/zinc/63/15/82/936631582.db2.gz INJSJFVKZOEIPW-GXFFZTMASA-N 1 0 250.317 1.715 20 10 CDCDRO COCCN1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181988 936684947 /nfs/dbraw/zinc/68/49/47/936684947.db2.gz ZEWXTCNEDOPXOE-UHFFFAOYSA-N 1 0 278.396 1.773 20 10 CDCDRO Cc1c(O)ccc(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC001140746060 936749095 /nfs/dbraw/zinc/74/90/95/936749095.db2.gz UEMVZXUSHNKZML-CYBMUJFWSA-N 1 0 264.369 1.932 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1O ZINC001140748992 936749791 /nfs/dbraw/zinc/74/97/91/936749791.db2.gz NATPTWCOFNDSOD-LBPRGKRZSA-N 1 0 278.352 1.459 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031256 936794710 /nfs/dbraw/zinc/79/47/10/936794710.db2.gz AGWVFTMBSNUGDY-MFKMUULPSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCOC2)c(OC)c1 ZINC001141028231 936794285 /nfs/dbraw/zinc/79/42/85/936794285.db2.gz 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CCOc1cccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001203602253 939696033 /nfs/dbraw/zinc/69/60/33/939696033.db2.gz LOKPSPZXWBZDBU-DGCLKSJQSA-N 1 0 283.343 1.943 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCC[C@@H]1O ZINC001203875533 939710402 /nfs/dbraw/zinc/71/04/02/939710402.db2.gz PIQZJYLPWQQKCA-JQWIXIFHSA-N 1 0 251.326 1.691 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204277796 939751213 /nfs/dbraw/zinc/75/12/13/939751213.db2.gz AFWCXZIMHXBWKP-NSHDSACASA-N 1 0 265.309 1.625 20 10 CDCDRO COC(=O)CC[N@H+](Cc1ccc(O)cc1O)C1CC1 ZINC001204277240 939751305 /nfs/dbraw/zinc/75/13/05/939751305.db2.gz ABUZHTMSHOSHRN-UHFFFAOYSA-N 1 0 265.309 1.625 20 10 CDCDRO CN1CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1=O ZINC001204279621 939752464 /nfs/dbraw/zinc/75/24/64/939752464.db2.gz CUHWDUQDVSIPEM-UHFFFAOYSA-N 1 0 290.363 1.542 20 10 CDCDRO Oc1ccc(C[N@H+]2CCc3nccn3CC2)c(O)c1 ZINC001204279528 939752569 /nfs/dbraw/zinc/75/25/69/939752569.db2.gz AGYNGSBGDJCZKD-UHFFFAOYSA-N 1 0 259.309 1.353 20 10 CDCDRO COc1cc(C[N@H+]2CCC[C@H](OC)C2)cc(O)c1O ZINC001204342845 939757272 /nfs/dbraw/zinc/75/72/72/939757272.db2.gz NOJKXULZUVOVLD-NSHDSACASA-N 1 0 267.325 1.717 20 10 CDCDRO C[C@]1([NH3+])CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001204782277 939790142 /nfs/dbraw/zinc/79/01/42/939790142.db2.gz CGIXNFSKYIQESE-INIZCTEOSA-N 1 0 293.386 1.585 20 10 CDCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1O ZINC000088657951 940282804 /nfs/dbraw/zinc/28/28/04/940282804.db2.gz ACUAUZFCGYWCCC-GFCCVEGCSA-N 1 0 298.770 1.383 20 10 CDCDRO COC(=O)c1cccc(Nc2cc[nH+]cc2OC)c1O ZINC001211262956 940743691 /nfs/dbraw/zinc/74/36/91/940743691.db2.gz CIDAVZHPVQXPBP-UHFFFAOYSA-N 1 0 274.276 1.748 20 10 CDCDRO N[C@@H](C[NH3+])Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217727279 941012177 /nfs/dbraw/zinc/01/21/77/941012177.db2.gz VOXMGBLNSCPWGY-GFCCVEGCSA-N 1 0 283.335 1.356 20 10 CDCDRO CC1(C)C[NH2+]CC[C@@H]1Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001218318160 941054385 /nfs/dbraw/zinc/05/43/85/941054385.db2.gz XKZRELAHYGWCCG-ZDUSSCGKSA-N 1 0 289.335 1.808 20 10 CDCDRO C[C@H]1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C[NH2+]1 ZINC001218407834 941213589 /nfs/dbraw/zinc/21/35/89/941213589.db2.gz NPUMAJNZRKZZDH-IUCAKERBSA-N 1 0 275.308 1.560 20 10 CDCDRO Nc1ccc(CC(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC001219614130 941364885 /nfs/dbraw/zinc/36/48/85/941364885.db2.gz SMTHQOKPCPXCLD-GFCCVEGCSA-N 1 0 287.285 1.222 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@@H]2CC[NH2+]C[C@H]2F)c(O)c1 ZINC001220825833 941475398 /nfs/dbraw/zinc/47/53/98/941475398.db2.gz UCMMQPPLAXBVQJ-DGCLKSJQSA-N 1 0 280.343 1.573 20 10 CDCDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001276829932 941591958 /nfs/dbraw/zinc/59/19/58/941591958.db2.gz CYZWZDIHMBMVKU-MRXNPFEDSA-N 1 0 292.379 1.721 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222675370 941624619 /nfs/dbraw/zinc/62/46/19/941624619.db2.gz YKRLZGRWPPMQIE-MRXNPFEDSA-N 1 0 293.386 1.449 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1COC[C@H]1O ZINC000323161643 942211600 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COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)cc1O ZINC001231637174 942952393 /nfs/dbraw/zinc/95/23/93/942952393.db2.gz HUXVEQWKZVPLOD-TXEJJXNPSA-N 1 0 278.352 1.385 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001231842459 943025410 /nfs/dbraw/zinc/02/54/10/943025410.db2.gz MNVSLJVNWYIHLN-HNNXBMFYSA-N 1 0 290.407 1.916 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCC[C@@H](O)C2)cc1Cl ZINC001232258803 943190177 /nfs/dbraw/zinc/19/01/77/943190177.db2.gz PTVYNLPAWKHVLD-SECBINFHSA-N 1 0 257.717 1.708 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1cc(Cl)c(OC)cc1O ZINC001232265481 943195126 /nfs/dbraw/zinc/19/51/26/943195126.db2.gz XFEJPRNVMBPUHD-UHFFFAOYSA-N 1 0 286.759 1.752 20 10 CDCDRO CN(C)C(=O)C12CC([NH2+]Cc3cc(O)ccc3O)(C1)C2 ZINC001277660209 943254181 /nfs/dbraw/zinc/25/41/81/943254181.db2.gz QAMBUEQJSKMWGK-UHFFFAOYSA-N 1 0 276.336 1.198 20 10 CDCDRO CCN1CCC[N@H+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232835148 943413234 /nfs/dbraw/zinc/41/32/34/943413234.db2.gz XMTMERYDDIBRLC-UHFFFAOYSA-N 1 0 277.412 1.986 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@@]1(C)O ZINC001233482844 943591491 /nfs/dbraw/zinc/59/14/91/943591491.db2.gz DOUOZZABQXUGGF-ZUZCIYMTSA-N 1 0 281.352 1.786 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc1O ZINC001233483216 943592028 /nfs/dbraw/zinc/59/20/28/943592028.db2.gz RAKRCHUGPKRXII-AWEZNQCLSA-N 1 0 265.309 1.558 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)cc1O ZINC001233483338 943592226 /nfs/dbraw/zinc/59/22/26/943592226.db2.gz WHJUCSKVXJFNIK-CQSZACIVSA-N 1 0 285.315 1.490 20 10 CDCDRO Oc1cc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)cc1O ZINC001233485271 943593058 /nfs/dbraw/zinc/59/30/58/943593058.db2.gz OXJRVUFJXYBWJU-LBPRGKRZSA-N 1 0 278.352 1.474 20 10 CDCDRO Oc1c(C[N@H+]2CC[C@@H](O)C2)cccc1OC(F)(F)F ZINC001233727928 943647238 /nfs/dbraw/zinc/64/72/38/943647238.db2.gz RTYNJXZWSMRDFS-SECBINFHSA-N 1 0 277.242 1.857 20 10 CDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000386307773 944101075 /nfs/dbraw/zinc/10/10/75/944101075.db2.gz GPYAAMCCHWMDBM-CYBMUJFWSA-N 1 0 251.326 1.109 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CC[C@]3([NH3+])C2)c(OC)c1 ZINC001235987405 944351774 /nfs/dbraw/zinc/35/17/74/944351774.db2.gz FSPGXOJZLOXNPZ-BMIGLBTASA-N 1 0 278.352 1.333 20 10 CDCDRO Cn1ccc2c1ncnc2-c1cnn(CCC[NH+](C)C)c1 ZINC001236147987 944413645 /nfs/dbraw/zinc/41/36/45/944413645.db2.gz HLJIQQFBYUIFRW-UHFFFAOYSA-N 1 0 284.367 1.784 20 10 CDCDRO CCn1ccc(-c2cnn(CCC[NH+](C)C)c2)cc1=O ZINC001236156554 944417977 /nfs/dbraw/zinc/41/79/77/944417977.db2.gz XMYVHHDTXNYQEA-UHFFFAOYSA-N 1 0 274.368 1.683 20 10 CDCDRO Oc1c(CN2C[C@@H]3C[NH2+]C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001236289182 944447236 /nfs/dbraw/zinc/44/72/36/944447236.db2.gz PNEUSAKFJKRFJQ-GOEBONIOSA-N 1 0 299.418 1.495 20 10 CDCDRO CCc1ccc(C[NH+]2CC(N(C)C3COC3)C2)c(O)c1 ZINC001236795679 944570453 /nfs/dbraw/zinc/57/04/53/944570453.db2.gz YXFOKKMKEXLOTH-UHFFFAOYSA-N 1 0 276.380 1.469 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1O ZINC001236827954 944585505 /nfs/dbraw/zinc/58/55/05/944585505.db2.gz XJPDDXPIKGGVHU-YOEHRIQHSA-N 1 0 287.359 1.721 20 10 CDCDRO CCOc1ccc(C[NH+]2CCN(C3COC3)CC2)c(O)c1 ZINC001237044682 944644547 /nfs/dbraw/zinc/64/45/47/944644547.db2.gz MGHZTQMJONXCLN-UHFFFAOYSA-N 1 0 292.379 1.307 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCOC[C@@H](O)C2)c1O ZINC001238063829 945045605 /nfs/dbraw/zinc/04/56/05/945045605.db2.gz MCCGHVSJSQMPAD-LBPRGKRZSA-N 1 0 255.289 1.033 20 10 CDCDRO COC[C@@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255577602 948004645 /nfs/dbraw/zinc/00/46/45/948004645.db2.gz AGUQWTISWNEWGI-SNVBAGLBSA-N 1 0 251.326 1.881 20 10 CDCDRO COC(=O)CC[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC001258362229 948787626 /nfs/dbraw/zinc/78/76/26/948787626.db2.gz YCQADGXMINVBNB-SECBINFHSA-N 1 0 253.298 1.529 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC001249201186 949455500 /nfs/dbraw/zinc/45/55/00/949455500.db2.gz JNTBSYORPUUAAA-CYBMUJFWSA-N 1 0 279.336 1.328 20 10 CDCDRO CC[C@@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001251780378 950813314 /nfs/dbraw/zinc/81/33/14/950813314.db2.gz LGSLFLCHNPUJBX-GFCCVEGCSA-N 1 0 251.326 1.617 20 10 CDCDRO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001335535818 959871393 /nfs/dbraw/zinc/87/13/93/959871393.db2.gz AGTQCIAFKZDNAF-WCQYABFASA-N 1 0 276.384 1.456 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001335736742 959998744 /nfs/dbraw/zinc/99/87/44/959998744.db2.gz HRKORDGHSDIPFU-GXTWGEPZSA-N 1 0 274.368 1.162 20 10 CDCDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335736506 959998988 /nfs/dbraw/zinc/99/89/88/959998988.db2.gz BMOPAKKIDDGOFS-HNNXBMFYSA-N 1 0 290.411 1.895 20 10 CDCDRO COC(=O)CC[N@H+](Cc1ccc(N)cc1)C1CCOCC1 ZINC001336284895 960288084 /nfs/dbraw/zinc/28/80/84/960288084.db2.gz DIEKMQGLLJHDJV-UHFFFAOYSA-N 1 0 292.379 1.813 20 10 CDCDRO COc1ccc(C[NH2+]CCc2cnn(C)c2)c(O)c1OC ZINC001351976088 967041947 /nfs/dbraw/zinc/04/19/47/967041947.db2.gz ZMGBEJLKFOJHNM-UHFFFAOYSA-N 1 0 291.351 1.475 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000077450415 342330358 /nfs/dbraw/zinc/33/03/58/342330358.db2.gz QHJADZUFHSKILB-UHFFFAOYSA-N 1 0 277.412 1.299 20 10 CDCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000090885058 342398007 /nfs/dbraw/zinc/39/80/07/342398007.db2.gz OIXYNOPLEQCYEQ-MLGOLLRUSA-N 1 0 288.395 1.870 20 10 CDCDRO C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000154624299 363590710 /nfs/dbraw/zinc/59/07/10/363590710.db2.gz SMOFYFXZTAFJSX-ZDUSSCGKSA-N 1 0 275.396 1.853 20 10 CDCDRO Cc1cc(O)c(CN2CC[NH2+][C@H](CCO)C2)cc1Cl ZINC001579637961 1172230927 /nfs/dbraw/zinc/23/09/27/1172230927.db2.gz KYLOIDGBPKCRCV-GFCCVEGCSA-N 1 0 284.787 1.510 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000189563236 358026081 /nfs/dbraw/zinc/02/60/81/358026081.db2.gz PIZRJKKKZUQRHE-JTQLQIEISA-N 1 0 264.325 1.122 20 10 CDCDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000193107022 358265163 /nfs/dbraw/zinc/26/51/63/358265163.db2.gz NKPPYISQYIQPRP-GFCCVEGCSA-N 1 0 292.379 1.902 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccccc1O ZINC000294827698 199201337 /nfs/dbraw/zinc/20/13/37/199201337.db2.gz LDNXGTYVULXMJG-OAHLLOKOSA-N 1 0 278.396 1.890 20 10 CDCDRO CCn1cnnc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000072289936 358602927 /nfs/dbraw/zinc/60/29/27/358602927.db2.gz GLBVAOLJPKATBZ-UHFFFAOYSA-N 1 0 272.352 1.565 20 10 CDCDRO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)Cc1ccccc1O ZINC000111235119 359197425 /nfs/dbraw/zinc/19/74/25/359197425.db2.gz SBPRLYMDRINCNZ-NSHDSACASA-N 1 0 286.335 1.641 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000113350388 359396179 /nfs/dbraw/zinc/39/61/79/359396179.db2.gz KVCZAXLLNXSBNO-VIFPVBQESA-N 1 0 291.800 1.958 20 10 CDCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000235742336 361168228 /nfs/dbraw/zinc/16/82/28/361168228.db2.gz WJNPLHBYKVMLBK-ZDUSSCGKSA-N 1 0 268.744 1.743 20 10 CDCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167861014 364952862 /nfs/dbraw/zinc/95/28/62/364952862.db2.gz PKYSVOSWZJHZBO-ZDUSSCGKSA-N 1 0 275.396 1.886 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253997 365154757 /nfs/dbraw/zinc/15/47/57/365154757.db2.gz MBZOTFRTAGPLJN-DGCLKSJQSA-N 1 0 290.363 1.647 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000272559704 365293922 /nfs/dbraw/zinc/29/39/22/365293922.db2.gz SXBRBXPLXZECGC-GHMZBOCLSA-N 1 0 251.326 1.604 20 10 CDCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CCNC1=O ZINC000281640279 367666116 /nfs/dbraw/zinc/66/61/16/367666116.db2.gz APHKDLLEVCBUCI-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1 ZINC000288492766 369457489 /nfs/dbraw/zinc/45/74/89/369457489.db2.gz HLIOGHXQKIIQIK-GXFFZTMASA-N 1 0 299.392 1.314 20 10 CDCDRO CCN1CCN(C(=O)c2ccc(C)c(O)c2O)[C@@H](C)C1 ZINC000288510544 369460335 /nfs/dbraw/zinc/46/03/35/369460335.db2.gz QVIXLZXXZQYGEW-NSHDSACASA-N 1 0 278.352 1.572 20 10 CDCDRO CCc1nnc(C[NH2+]Cc2cc(C)c(C)cc2O)[nH]1 ZINC000295932102 371521412 /nfs/dbraw/zinc/52/14/12/371521412.db2.gz FSPFKVFTVFZQKC-UHFFFAOYSA-N 1 0 260.341 1.979 20 10 CDCDRO C[NH+]1CCC(C)(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000296725365 371889207 /nfs/dbraw/zinc/88/92/07/371889207.db2.gz HWHFXLCZQJYRMX-UHFFFAOYSA-N 1 0 296.342 1.699 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000294200589 378618103 /nfs/dbraw/zinc/61/81/03/378618103.db2.gz XUUOELCLNWBMIC-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036932550 260052260 /nfs/dbraw/zinc/05/22/60/260052260.db2.gz RDUPMSAWXOWDNH-LBPRGKRZSA-N 1 0 280.368 1.211 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(OC)c1O ZINC000105650381 390515890 /nfs/dbraw/zinc/51/58/90/390515890.db2.gz QXACAXNZODDWPU-CYBMUJFWSA-N 1 0 292.379 1.891 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000234839589 285380257 /nfs/dbraw/zinc/38/02/57/285380257.db2.gz LMPBDKRPRPPPJI-YPMHNXCESA-N 1 0 252.358 1.411 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c1 ZINC000093361213 390901976 /nfs/dbraw/zinc/90/19/76/390901976.db2.gz ZPPHFHBNWVJDQR-GFCCVEGCSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H](C)OC)CC2)cc1F ZINC000182225434 391233126 /nfs/dbraw/zinc/23/31/26/391233126.db2.gz YYMDEHRFMCZWLC-LBPRGKRZSA-N 1 0 282.359 1.991 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000179490283 391207651 /nfs/dbraw/zinc/20/76/51/391207651.db2.gz SCOAMNKPHGXDSC-AWEZNQCLSA-N 1 0 274.364 1.944 20 10 CDCDRO OCCO[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179573218 391211781 /nfs/dbraw/zinc/21/17/81/391211781.db2.gz RAUSKJOTQFJKNG-CYBMUJFWSA-N 1 0 251.326 1.366 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000193687570 391344212 /nfs/dbraw/zinc/34/42/12/391344212.db2.gz SARGMFAFNGRNSK-YGRLFVJLSA-N 1 0 278.352 1.405 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1F ZINC000172721076 391856965 /nfs/dbraw/zinc/85/69/65/391856965.db2.gz FJZNDPMXBWCDPS-UHFFFAOYSA-N 1 0 293.386 1.850 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000022177268 171370981 /nfs/dbraw/zinc/37/09/81/171370981.db2.gz WDJSAEWMCJKRNY-CQSZACIVSA-N 1 0 261.369 1.412 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036932551 260052557 /nfs/dbraw/zinc/05/25/57/260052557.db2.gz RDUPMSAWXOWDNH-GFCCVEGCSA-N 1 0 280.368 1.211 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CCc2nnc[nH]2)cc1 ZINC000080602857 260181099 /nfs/dbraw/zinc/18/10/99/260181099.db2.gz PJWVVNNKUUZLGF-UHFFFAOYSA-N 1 0 273.384 1.983 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)CCOC)c1O ZINC000172070712 261069527 /nfs/dbraw/zinc/06/95/27/261069527.db2.gz UKDFJHKGVNNEMA-HNNXBMFYSA-N 1 0 283.368 1.668 20 10 CDCDRO OCC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000153623941 261081477 /nfs/dbraw/zinc/08/14/77/261081477.db2.gz HVRTUNIQKMIRNR-UHFFFAOYSA-N 1 0 251.282 1.078 20 10 CDCDRO CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccccc1O ZINC000155606202 261104717 /nfs/dbraw/zinc/10/47/17/261104717.db2.gz XQUBVBUUBWUDPD-LBPRGKRZSA-N 1 0 271.382 1.868 20 10 CDCDRO Cc1ccc(C(=O)NCC[NH+]2CCCCC2)c(O)c1O ZINC000177672269 261710798 /nfs/dbraw/zinc/71/07/98/261710798.db2.gz DLGLCXVZHGBPMP-UHFFFAOYSA-N 1 0 278.352 1.622 20 10 CDCDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1O ZINC000183720495 261985784 /nfs/dbraw/zinc/98/57/84/261985784.db2.gz QPXSHQXYHXNVJO-SNVBAGLBSA-N 1 0 274.324 1.196 20 10 CDCDRO COc1cc(Cl)cc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000184672277 262026298 /nfs/dbraw/zinc/02/62/98/262026298.db2.gz DWAZMLZZGHVUTM-UHFFFAOYSA-N 1 0 298.770 1.752 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c1 ZINC000185638655 262063554 /nfs/dbraw/zinc/06/35/54/262063554.db2.gz KOMBBFOKVMFHOA-QMTHXVAHSA-N 1 0 283.393 1.919 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCOC2)c1O ZINC000184710565 262295843 /nfs/dbraw/zinc/29/58/43/262295843.db2.gz LGRBPFKFAWODMV-CYBMUJFWSA-N 1 0 287.743 1.295 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c1O ZINC000272539167 263006118 /nfs/dbraw/zinc/00/61/18/263006118.db2.gz BWNPYRFSHRAYFB-TZMCWYRMSA-N 1 0 276.380 1.927 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1C ZINC000278566664 263049208 /nfs/dbraw/zinc/04/92/08/263049208.db2.gz DCMAWTIOJARLPY-DOMZBBRYSA-N 1 0 265.353 1.639 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000368131608 267146313 /nfs/dbraw/zinc/14/63/13/267146313.db2.gz AWNGWLCSTQFXGG-SNVBAGLBSA-N 1 0 264.325 1.098 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000163297991 328488366 /nfs/dbraw/zinc/48/83/66/328488366.db2.gz YCCPZARVMXMIJQ-MNOVXSKESA-N 1 0 251.326 1.915 20 10 CDCDRO C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000164895594 331305310 /nfs/dbraw/zinc/30/53/10/331305310.db2.gz HBQDPSWNNYNRFB-ZETCQYMHSA-N 1 0 260.131 1.625 20 10 CDCDRO C[C@@H](CO)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230161349 333315412 /nfs/dbraw/zinc/31/54/12/333315412.db2.gz QQJUMHBTAMFWAC-SNVBAGLBSA-N 1 0 267.325 1.619 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000231843111 333330340 /nfs/dbraw/zinc/33/03/40/333330340.db2.gz HNNZTZWABKEWCD-LBPRGKRZSA-N 1 0 264.369 1.960 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000234966416 333363534 /nfs/dbraw/zinc/36/35/34/333363534.db2.gz UHDWHLCTJYOKHJ-AWEZNQCLSA-N 1 0 264.325 1.098 20 10 CDCDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnnn1C ZINC000355105616 335766813 /nfs/dbraw/zinc/76/68/13/335766813.db2.gz AVEAIELTYWAAFB-UHFFFAOYSA-N 1 0 269.352 1.905 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@](C)([NH3+])C2)c(OC)c1 ZINC001204784356 1160340847 /nfs/dbraw/zinc/34/08/47/1160340847.db2.gz ZMHRSEBRFIMGAR-CQSZACIVSA-N 1 0 266.341 1.333 20 10 CDCDRO CCOCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866858 519923698 /nfs/dbraw/zinc/92/36/98/519923698.db2.gz QEFCSYGMLPWHPW-UHFFFAOYSA-N 1 0 282.359 1.993 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1F ZINC000280335435 522208351 /nfs/dbraw/zinc/20/83/51/522208351.db2.gz QSYYPVJJOSAQIS-KBPBESRZSA-N 1 0 296.386 1.626 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000281004015 522307399 /nfs/dbraw/zinc/30/73/99/522307399.db2.gz NTPMXMZAVHRNPH-SMDDNHRTSA-N 1 0 279.380 1.929 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000275342753 522830698 /nfs/dbraw/zinc/83/06/98/522830698.db2.gz XLOCLFIHCUOUGD-UHFFFAOYSA-N 1 0 280.343 1.935 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC[NH3+] ZINC000040855885 523264368 /nfs/dbraw/zinc/26/43/68/523264368.db2.gz MOBKLSNHISQIRP-UHFFFAOYSA-N 1 0 291.395 1.221 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000367738458 524391853 /nfs/dbraw/zinc/39/18/53/524391853.db2.gz AVHLDNUOBCEVPQ-AWEZNQCLSA-N 1 0 289.379 1.690 20 10 CDCDRO Cc1cc(C[N@H+](CCO)CCCO)ccc1N(C)C ZINC000293080821 524668610 /nfs/dbraw/zinc/66/86/10/524668610.db2.gz MLXHFPWLHHZGJL-UHFFFAOYSA-N 1 0 266.385 1.238 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280427697 524771955 /nfs/dbraw/zinc/77/19/55/524771955.db2.gz BORYMTDDPCPHBA-YNEHKIRRSA-N 1 0 295.379 1.696 20 10 CDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1O ZINC000228094851 525041396 /nfs/dbraw/zinc/04/13/96/525041396.db2.gz KLRHJCUOFNMSKH-NOZJJQNGSA-N 1 0 255.289 1.161 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1C ZINC000280387997 525321656 /nfs/dbraw/zinc/32/16/56/525321656.db2.gz WLPGFEFYWBJDRN-HIFRSBDPSA-N 1 0 279.380 1.744 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000125567940 526037174 /nfs/dbraw/zinc/03/71/74/526037174.db2.gz BWWNHYUNIYSYAO-MGNBDDOMSA-N 1 0 271.382 1.648 20 10 CDCDRO Cc1nnsc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000291735518 526446968 /nfs/dbraw/zinc/44/69/68/526446968.db2.gz OFURLZCCZOKRPN-UHFFFAOYSA-N 1 0 279.321 1.571 20 10 CDCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000727644640 574592904 /nfs/dbraw/zinc/59/29/04/574592904.db2.gz NXVRZCVRDDTTOZ-ZDUSSCGKSA-N 1 0 285.395 1.839 20 10 CDCDRO CC(C)NC(=O)C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000732502129 575090777 /nfs/dbraw/zinc/09/07/77/575090777.db2.gz LTHBBBLDMUXYPA-UHFFFAOYSA-N 1 0 276.380 1.837 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000762263258 576635730 /nfs/dbraw/zinc/63/57/30/576635730.db2.gz DAHPXFSTDYTZBP-LBPRGKRZSA-N 1 0 278.352 1.241 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C2CC[NH+](C)CC2)c1 ZINC000769543099 575358683 /nfs/dbraw/zinc/35/86/83/575358683.db2.gz MBXUUVQSRXWYCH-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000765798037 576056627 /nfs/dbraw/zinc/05/66/27/576056627.db2.gz UKVWZQSVAHZLRZ-CHWSQXEVSA-N 1 0 262.353 1.705 20 10 CDCDRO Cn1cnnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000765944385 576064978 /nfs/dbraw/zinc/06/49/78/576064978.db2.gz VJUGQWWTYLYIEL-UHFFFAOYSA-N 1 0 286.383 1.179 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cc(C)c(C)cc2O)CCOC1 ZINC000766470309 576105027 /nfs/dbraw/zinc/10/50/27/576105027.db2.gz SYTHLDLZWPMTCW-MRXNPFEDSA-N 1 0 293.363 1.821 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC)CC(=O)N(C)C)c1 ZINC000768309132 576271239 /nfs/dbraw/zinc/27/12/39/576271239.db2.gz ZFNBXRHYRYPMSR-UHFFFAOYSA-N 1 0 280.368 1.701 20 10 CDCDRO Cn1cccc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462687 576287046 /nfs/dbraw/zinc/28/70/46/576287046.db2.gz BJWITQHSICNRDN-OAHLLOKOSA-N 1 0 288.347 1.789 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000769333973 576347170 /nfs/dbraw/zinc/34/71/70/576347170.db2.gz MAZQDKHPMCQJTF-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO CC[N@@H+]1CCN(Cc2c(O)cccc2OC)C[C@H]1C ZINC000769379546 576350676 /nfs/dbraw/zinc/35/06/76/576350676.db2.gz BNYBWJBVDMYSTE-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO CN1CCO[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]21 ZINC000769484857 576358367 /nfs/dbraw/zinc/35/83/67/576358367.db2.gz VXPBDUQCCOZVSW-OCCSQVGLSA-N 1 0 282.771 1.560 20 10 CDCDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(F)ccc1O ZINC000756546936 576994552 /nfs/dbraw/zinc/99/45/52/576994552.db2.gz WARSBLHZHJCXGI-RYUDHWBXSA-N 1 0 282.359 1.903 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000757657727 577049006 /nfs/dbraw/zinc/04/90/06/577049006.db2.gz FSUHJXKGYHPCJV-NHYWBVRUSA-N 1 0 295.379 1.839 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCC[C@@H](C)CO ZINC000758579288 577119613 /nfs/dbraw/zinc/11/96/13/577119613.db2.gz KEFXMPXQMPFBTD-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000891457174 617420760 /nfs/dbraw/zinc/42/07/60/617420760.db2.gz XNAOPSNDNNJFCL-ZYHUDNBSSA-N 1 0 294.374 1.523 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1O ZINC000892092110 617476035 /nfs/dbraw/zinc/47/60/35/617476035.db2.gz INPRBNKSDBJZEV-NTZNESFSSA-N 1 0 277.368 1.750 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891979514 617929850 /nfs/dbraw/zinc/92/98/50/617929850.db2.gz PRJJHGHRLUYHJI-NEPJUHHUSA-N 1 0 277.368 1.752 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841986526 620727829 /nfs/dbraw/zinc/72/78/29/620727829.db2.gz UAVRONOWVTXRMV-NSHDSACASA-N 1 0 264.373 1.241 20 10 CDCDRO C[C@@H](NC(=O)NCCOCCC[NH3+])c1ccccc1O ZINC000892291897 617704286 /nfs/dbraw/zinc/70/42/86/617704286.db2.gz QUYOTTUSCVURND-LLVKDONJSA-N 1 0 281.356 1.118 20 10 CDCDRO COc1ccc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c(O)c1OC ZINC000893668983 617817887 /nfs/dbraw/zinc/81/78/87/617817887.db2.gz JGGHFSJALJQDCU-NEPJUHHUSA-N 1 0 294.395 1.934 20 10 CDCDRO OC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCOC1 ZINC000840964332 617851757 /nfs/dbraw/zinc/85/17/57/617851757.db2.gz ZZTUCCAUKLPKCC-MFKMUULPSA-N 1 0 285.771 1.923 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1O ZINC000891972173 617908447 /nfs/dbraw/zinc/90/84/47/617908447.db2.gz XOTVHJRCBHWDSC-NWDGAFQWSA-N 1 0 277.368 1.895 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)CCO)c(O)c1OC ZINC000893069327 618124284 /nfs/dbraw/zinc/12/42/84/618124284.db2.gz RBMPFIQJJMKASV-UHFFFAOYSA-N 1 0 283.368 1.908 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1c(O)cccc1OC ZINC000922590356 618275990 /nfs/dbraw/zinc/27/59/90/618275990.db2.gz RLPNTBFIELTGJB-CYBMUJFWSA-N 1 0 294.395 1.601 20 10 CDCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841063978 618679079 /nfs/dbraw/zinc/67/90/79/618679079.db2.gz CYTJNBLIKSPARU-YOEHRIQHSA-N 1 0 289.423 1.753 20 10 CDCDRO COC(=O)c1c(C[NH2+][C@H](C)CO)c2cc(F)ccc2n1C ZINC000894200306 618690994 /nfs/dbraw/zinc/69/09/94/618690994.db2.gz LHRSISVBAUOGTH-SECBINFHSA-N 1 0 294.326 1.574 20 10 CDCDRO Oc1cc2c(cc1CN1CC[C@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000843128932 618693846 /nfs/dbraw/zinc/69/38/46/618693846.db2.gz ZRLQEBLDJUZNLA-CMPLNLGQSA-N 1 0 276.336 1.305 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000894397801 618855345 /nfs/dbraw/zinc/85/53/45/618855345.db2.gz RSOAGBDYBSPSJZ-LBPRGKRZSA-N 1 0 290.363 1.562 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@](C)(CO)C2CC2)c1O ZINC000894399766 618857475 /nfs/dbraw/zinc/85/74/75/618857475.db2.gz JGVPMSYYBZPHGR-HNNXBMFYSA-N 1 0 265.353 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c1O ZINC000894399592 618858027 /nfs/dbraw/zinc/85/80/27/618858027.db2.gz GWLHQWWLGBXWKL-WCQYABFASA-N 1 0 263.337 1.736 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000894497617 618917503 /nfs/dbraw/zinc/91/75/03/618917503.db2.gz NDUUCJSCLHQEPR-WCQYABFASA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CC(C(C)(C)O)C2)c1O ZINC000894976971 619174849 /nfs/dbraw/zinc/17/48/49/619174849.db2.gz NYMRQUBXKXKBRX-UHFFFAOYSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1O ZINC000894993868 619182666 /nfs/dbraw/zinc/18/26/66/619182666.db2.gz KYCUYIOFTVGFPK-GXTWGEPZSA-N 1 0 295.379 1.586 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1O ZINC000895033034 619211778 /nfs/dbraw/zinc/21/17/78/619211778.db2.gz FMSLSDUCSNKXHS-ZDUSSCGKSA-N 1 0 295.379 1.681 20 10 CDCDRO CC1=NO[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895311057 619540173 /nfs/dbraw/zinc/54/01/73/619540173.db2.gz NTPUOMVYIPXFSE-INIZCTEOSA-N 1 0 289.379 1.778 20 10 CDCDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000895329336 619568811 /nfs/dbraw/zinc/56/88/11/619568811.db2.gz JEYBUOOTQXQHAS-DGCLKSJQSA-N 1 0 271.744 1.363 20 10 CDCDRO COc1ccc(C[N@H+](C)C[C@H]2COCCO2)c(O)c1OC ZINC000895366118 619607210 /nfs/dbraw/zinc/60/72/10/619607210.db2.gz YJROWVPCQYKYCI-LBPRGKRZSA-N 1 0 297.351 1.257 20 10 CDCDRO COc1cccc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1O ZINC000896115639 619988762 /nfs/dbraw/zinc/98/87/62/619988762.db2.gz HMDQTDXGEPKJRF-GFCCVEGCSA-N 1 0 292.379 1.890 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(O)c1 ZINC000896386324 620081347 /nfs/dbraw/zinc/08/13/47/620081347.db2.gz ZBRXGFDEXJYGBY-ZDUSSCGKSA-N 1 0 293.363 1.986 20 10 CDCDRO C[C@@H](NC(=S)NCC[NH+](C)C)c1ccccc1O ZINC000865269247 620959857 /nfs/dbraw/zinc/95/98/57/620959857.db2.gz FQHAZJJRNMANFB-SNVBAGLBSA-N 1 0 267.398 1.479 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([NH3+])C2)cc1F ZINC000841758504 621011871 /nfs/dbraw/zinc/01/18/71/621011871.db2.gz BRIFFRNHYIEHRF-LBPRGKRZSA-N 1 0 294.374 1.524 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000897679707 621066472 /nfs/dbraw/zinc/06/64/72/621066472.db2.gz KXKHNTXPXOHPPS-KCJUWKMLSA-N 1 0 282.296 1.122 20 10 CDCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c(O)c1 ZINC000897826984 621148873 /nfs/dbraw/zinc/14/88/73/621148873.db2.gz XLWOWRCNHXPRII-UHFFFAOYSA-N 1 0 298.408 1.216 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nccs2)cc1 ZINC000841042391 621558707 /nfs/dbraw/zinc/55/87/07/621558707.db2.gz JFEDWGUHTFBHRK-ZDUSSCGKSA-N 1 0 276.409 1.999 20 10 CDCDRO COCCN(C[C@H]1CCC[NH2+]1)c1ccc(OC)c(OC)c1 ZINC000903439740 625992676 /nfs/dbraw/zinc/99/26/76/625992676.db2.gz NNGNAMNJOXUIFY-CYBMUJFWSA-N 1 0 294.395 1.909 20 10 CDCDRO NOCCC[NH2+]Cc1cc(Br)ccc1O ZINC000904456422 626301243 /nfs/dbraw/zinc/30/12/43/626301243.db2.gz HOFJYFDIXIWSAV-UHFFFAOYSA-N 1 0 275.146 1.525 20 10 CDCDRO CN(C)c1ccc(CN2CCCO[C@@H](C[NH3+])C2)cc1F ZINC000841101205 630596258 /nfs/dbraw/zinc/59/62/58/630596258.db2.gz RRKIQKNWDOPNAK-ZDUSSCGKSA-N 1 0 281.375 1.441 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000153919797 631952443 /nfs/dbraw/zinc/95/24/43/631952443.db2.gz VZUXZYSNMWWWNC-CQSZACIVSA-N 1 0 262.353 1.801 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000237470056 695188127 /nfs/dbraw/zinc/18/81/27/695188127.db2.gz JREKUJULAVBIBA-WCQYABFASA-N 1 0 261.369 1.397 20 10 CDCDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843047500 695278767 /nfs/dbraw/zinc/27/87/67/695278767.db2.gz QSHIQBGLJFUIOL-CYBMUJFWSA-N 1 0 293.386 1.456 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccccc1O ZINC000858602401 695303396 /nfs/dbraw/zinc/30/33/96/695303396.db2.gz YJQSJHWTQCSTOA-GXTWGEPZSA-N 1 0 264.369 1.500 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(C)=O)C2)cc1C ZINC001026629864 695327496 /nfs/dbraw/zinc/32/74/96/695327496.db2.gz DRGIZDSUWBZMFA-OAHLLOKOSA-N 1 0 276.380 1.962 20 10 CDCDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)N2CCCC2)c1 ZINC000132700222 695351479 /nfs/dbraw/zinc/35/14/79/695351479.db2.gz BNYWXDYRHMOLLO-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2OC)cc1C ZINC000842752491 695357711 /nfs/dbraw/zinc/35/77/11/695357711.db2.gz NEFKPJFHJHWPSA-TZMCWYRMSA-N 1 0 251.326 1.507 20 10 CDCDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@H]2CCCCN12 ZINC000835072299 695389679 /nfs/dbraw/zinc/38/96/79/695389679.db2.gz FLBZHHUHDFBIOY-CABCVRRESA-N 1 0 286.375 1.865 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c(O)c1 ZINC000852889100 695401216 /nfs/dbraw/zinc/40/12/16/695401216.db2.gz BRBOMSCPQIIRDG-ZDUSSCGKSA-N 1 0 278.352 1.405 20 10 CDCDRO O=C1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1CC1CC1 ZINC000883396810 695410071 /nfs/dbraw/zinc/41/00/71/695410071.db2.gz XJKWLFVADCGRQW-KBPBESRZSA-N 1 0 286.375 1.980 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000876949199 695417883 /nfs/dbraw/zinc/41/78/83/695417883.db2.gz OMUOTWBZFGNCIW-ZDUSSCGKSA-N 1 0 293.411 1.588 20 10 CDCDRO Oc1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090320076 695429183 /nfs/dbraw/zinc/42/91/83/695429183.db2.gz JDOGFVMHDJHUKM-PHIMTYICSA-N 1 0 252.745 1.697 20 10 CDCDRO COc1cccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)c1O ZINC000841978287 695550886 /nfs/dbraw/zinc/55/08/86/695550886.db2.gz MBEZQSBMKZARGD-LBPRGKRZSA-N 1 0 293.367 1.342 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000877130241 695597295 /nfs/dbraw/zinc/59/72/95/695597295.db2.gz KNVXBABUQDYTKV-SWLSCSKDSA-N 1 0 292.379 1.426 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000782871453 695634439 /nfs/dbraw/zinc/63/44/39/695634439.db2.gz SOYCREFMAWISNP-SECBINFHSA-N 1 0 254.355 1.477 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[NH2+]C[C@H]2C)cc1OC ZINC000843119920 695652453 /nfs/dbraw/zinc/65/24/53/695652453.db2.gz OAAOKEOXTDWWAE-GHMZBOCLSA-N 1 0 280.368 1.592 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846073368 695654249 /nfs/dbraw/zinc/65/42/49/695654249.db2.gz UHASOGAVYCODGT-GFCCVEGCSA-N 1 0 274.364 1.801 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[C@H]3CCC[NH2+]3)ccc21 ZINC000166477961 695716078 /nfs/dbraw/zinc/71/60/78/695716078.db2.gz IRWIFHNBQSGWQG-OAHLLOKOSA-N 1 0 287.407 1.827 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000126229427 695770846 /nfs/dbraw/zinc/77/08/46/695770846.db2.gz DOQNZCHTDCIQRJ-SNVBAGLBSA-N 1 0 264.325 1.312 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CC=CC2)cc1 ZINC000844163053 695775468 /nfs/dbraw/zinc/77/54/68/695775468.db2.gz USXCHCWUELXWJX-HNNXBMFYSA-N 1 0 273.380 1.835 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(F)ccc1O ZINC000717363409 695778269 /nfs/dbraw/zinc/77/82/69/695778269.db2.gz CJKIUXNGKVRXIM-MWLCHTKSSA-N 1 0 256.321 1.104 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000852802697 695779460 /nfs/dbraw/zinc/77/94/60/695779460.db2.gz RQGVLZHQOSQKIM-BXKDBHETSA-N 1 0 266.341 1.576 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843364498 695821209 /nfs/dbraw/zinc/82/12/09/695821209.db2.gz KNZFKTGZVKDVHZ-ONGXEEELSA-N 1 0 280.343 1.903 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841962313 695824841 /nfs/dbraw/zinc/82/48/41/695824841.db2.gz HZYRWUUXDTWHBO-LBPRGKRZSA-N 1 0 278.400 1.489 20 10 CDCDRO CC[C@@H](O)C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819381209 695835820 /nfs/dbraw/zinc/83/58/20/695835820.db2.gz VSVPJUBIKMBJIG-UKRRQHHQSA-N 1 0 278.396 1.882 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCO[C@@H]1CCOC1)CC2 ZINC000927082685 695860373 /nfs/dbraw/zinc/86/03/73/695860373.db2.gz HIVRVQIRHPKLMH-OLZOCXBDSA-N 1 0 263.337 1.775 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000840822690 695860571 /nfs/dbraw/zinc/86/05/71/695860571.db2.gz OESVCSFYJABBCL-LBPRGKRZSA-N 1 0 292.379 1.646 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000825067718 695874259 /nfs/dbraw/zinc/87/42/59/695874259.db2.gz DXFYJXMIGCCHLS-VIFPVBQESA-N 1 0 252.314 1.015 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000877087217 695892656 /nfs/dbraw/zinc/89/26/56/695892656.db2.gz IJYDHNMHBIKQCH-CYBMUJFWSA-N 1 0 265.353 1.986 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[C@H]([NH3+])C3CC3)ccc21 ZINC000827913620 695922714 /nfs/dbraw/zinc/92/27/14/695922714.db2.gz DUTLTWWUTFEVEW-HNNXBMFYSA-N 1 0 287.407 1.813 20 10 CDCDRO CC1(C)C[N@H+](Cc2ccccc2O)C[C@H](CO)O1 ZINC000817413436 695966677 /nfs/dbraw/zinc/96/66/77/695966677.db2.gz XWDOZUZYMXQSCK-GFCCVEGCSA-N 1 0 251.326 1.364 20 10 CDCDRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824558991 695987112 /nfs/dbraw/zinc/98/71/12/695987112.db2.gz BRYLPGWJZUELSU-MRXNPFEDSA-N 1 0 290.407 1.558 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000858280788 696003437 /nfs/dbraw/zinc/00/34/37/696003437.db2.gz DGSYSZWVYNJPAK-LBPRGKRZSA-N 1 0 279.384 1.840 20 10 CDCDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1O)S(C)(=O)=O ZINC000093523377 696030979 /nfs/dbraw/zinc/03/09/79/696030979.db2.gz VBUVJCZSRSGHLA-UHFFFAOYSA-N 1 0 291.800 1.958 20 10 CDCDRO C[NH+](C)CC(C)(C)NC(=O)NCCc1ccc(N)cc1 ZINC000841955872 696073559 /nfs/dbraw/zinc/07/35/59/696073559.db2.gz QDIBVBZBMCNAKE-UHFFFAOYSA-N 1 0 278.400 1.451 20 10 CDCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c(C)cccc1O ZINC000877563332 696106674 /nfs/dbraw/zinc/10/66/74/696106674.db2.gz JNUSBHMXKXWREA-IUODEOHRSA-N 1 0 265.353 1.842 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840942363 696112932 /nfs/dbraw/zinc/11/29/32/696112932.db2.gz BZLYHEKFDFOHNN-CQSZACIVSA-N 1 0 266.385 1.548 20 10 CDCDRO COC1CC[NH+](CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000831088489 696178690 /nfs/dbraw/zinc/17/86/90/696178690.db2.gz AOBYPEVWDBJHHG-UHFFFAOYSA-N 1 0 291.395 1.038 20 10 CDCDRO CN(C)c1ccc(CN2CCC[C@@H]([NH3+])C2)cc1F ZINC000843043855 696200109 /nfs/dbraw/zinc/20/01/09/696200109.db2.gz LUGJXAFCMMDEBQ-GFCCVEGCSA-N 1 0 251.349 1.815 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000037157904 696216388 /nfs/dbraw/zinc/21/63/88/696216388.db2.gz AAYJTSLNUSFYSL-NSHDSACASA-N 1 0 261.325 1.776 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(O)cc1C ZINC000808227904 1162825281 /nfs/dbraw/zinc/82/52/81/1162825281.db2.gz PCJYJVWIYMMIOX-NSHDSACASA-N 1 0 278.352 1.407 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000228414061 1165586296 /nfs/dbraw/zinc/58/62/96/1165586296.db2.gz VHJHSCLMAJMLPT-LBPRGKRZSA-N 1 0 253.342 1.658 20 10 CDCDRO CCCC[N@H+](CC(N)=O)Cc1ccc(C)cc1O ZINC000876616639 1165881017 /nfs/dbraw/zinc/88/10/17/1165881017.db2.gz QQDKZGVUNICTEB-UHFFFAOYSA-N 1 0 250.342 1.788 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000876727754 1165903472 /nfs/dbraw/zinc/90/34/72/1165903472.db2.gz BINGFSDOXNPWNU-ZDUSSCGKSA-N 1 0 275.396 1.901 20 10 CDCDRO CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N)cc1 ZINC000877077482 1165971005 /nfs/dbraw/zinc/97/10/05/1165971005.db2.gz JZUMQZSHCKMXSN-NSHDSACASA-N 1 0 269.295 1.476 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCC(O)CC1 ZINC000877573506 1166060256 /nfs/dbraw/zinc/06/02/56/1166060256.db2.gz ZDDCVWHLRJYMDG-UHFFFAOYSA-N 1 0 264.369 1.247 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)C[NH2+]C)cc1 ZINC000826019379 1166139642 /nfs/dbraw/zinc/13/96/42/1166139642.db2.gz DSTVLANUXJXJRQ-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO C[C@@H]1CC[C@H](NC(=O)NCc2c(O)cccc2F)C[NH2+]1 ZINC001576667190 1171485019 /nfs/dbraw/zinc/48/50/19/1171485019.db2.gz SGWFAJCIIRVONS-ZJUUUORDSA-N 1 0 281.331 1.471 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC001579723727 1172249008 /nfs/dbraw/zinc/24/90/08/1172249008.db2.gz JUIYCQZDGIFWPP-UHFFFAOYSA-N 1 0 274.364 1.849 20 10 CDCDRO Cc1cc(NCc2ccccc2O)c(-c2nn[nH]n2)c[nH+]1 ZINC001592053118 1173789372 /nfs/dbraw/zinc/78/93/72/1173789372.db2.gz MSUCNEPQWZWMDR-UHFFFAOYSA-N 1 0 282.307 1.310 20 10 CDCDRO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1ccccc1O ZINC000093522925 1174441829 /nfs/dbraw/zinc/44/18/29/1174441829.db2.gz CGEGSPMUMZHABP-SNVBAGLBSA-N 1 0 271.382 1.866 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000382589008 1187265204 /nfs/dbraw/zinc/26/52/04/1187265204.db2.gz YIWDFCZSPGZCLM-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO Cc1ccc(CN2CC[NH+](C(C)(C)CO)CC2)c(O)c1 ZINC000876746149 724399657 /nfs/dbraw/zinc/39/96/57/724399657.db2.gz UEEPLKRMXQITQR-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1O ZINC000248957024 724413086 /nfs/dbraw/zinc/41/30/86/724413086.db2.gz FYDWHSXQRZHUSY-DGCLKSJQSA-N 1 0 251.326 1.282 20 10 CDCDRO OC/C=C/C[NH2+]Cc1c(O)cccc1Br ZINC000717531410 724422117 /nfs/dbraw/zinc/42/21/17/724422117.db2.gz HERAPUPAWBWXBT-OWOJBTEDSA-N 1 0 272.142 1.793 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])N(C)C)C2)cc1 ZINC000849043396 724422199 /nfs/dbraw/zinc/42/21/99/724422199.db2.gz BMQJIZFRLXKIEQ-LBPRGKRZSA-N 1 0 276.384 1.607 20 10 CDCDRO CC(C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284914 724438168 /nfs/dbraw/zinc/43/81/68/724438168.db2.gz NXNYNACKFUQTQS-AWEZNQCLSA-N 1 0 263.385 1.915 20 10 CDCDRO CC(C)(CC[NH2+]Cc1ccc2c(c1)CCO2)S(C)(=O)=O ZINC000840960446 723702102 /nfs/dbraw/zinc/70/21/02/723702102.db2.gz MVFGJPKMGIYYKD-UHFFFAOYSA-N 1 0 297.420 1.924 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000132625900 723705296 /nfs/dbraw/zinc/70/52/96/723705296.db2.gz GMZRGJMKAGHYHO-TVQRCGJNSA-N 1 0 270.760 1.594 20 10 CDCDRO CC(C)COC[C@@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923285814 723716480 /nfs/dbraw/zinc/71/64/80/723716480.db2.gz FJBYVHQDJDKHIF-INIZCTEOSA-N 1 0 292.423 1.931 20 10 CDCDRO CN(C(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(N)cc1 ZINC000877077435 723709793 /nfs/dbraw/zinc/70/97/93/723709793.db2.gz ICVMPXXQPDLGHD-CYBMUJFWSA-N 1 0 259.353 1.621 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841079960 723721980 /nfs/dbraw/zinc/72/19/80/723721980.db2.gz RGAXBOIKGSAKKL-IUCAKERBSA-N 1 0 258.724 1.835 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@H](C)CN)CC2)cc1 ZINC000841060851 723731636 /nfs/dbraw/zinc/73/16/36/723731636.db2.gz RAMYIYWFMODXJR-GFCCVEGCSA-N 1 0 263.385 1.601 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000840942483 723740959 /nfs/dbraw/zinc/74/09/59/723740959.db2.gz UMAHFRWLGMITAH-NHYWBVRUSA-N 1 0 275.396 1.675 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccoc2)cc1 ZINC000832292710 723743361 /nfs/dbraw/zinc/74/33/61/723743361.db2.gz KIAVXMIPBLGOEU-CQSZACIVSA-N 1 0 273.336 1.775 20 10 CDCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876735530 723758725 /nfs/dbraw/zinc/75/87/25/723758725.db2.gz DPFCLCLIXOUDRJ-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C)cc(OC)c3O)C[C@@H]21 ZINC000793646118 723760204 /nfs/dbraw/zinc/76/02/04/723760204.db2.gz YWHRKCYOGHPJOU-IMRBUKKESA-N 1 0 291.347 1.560 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)CC(F)(F)F)c1 ZINC000717767266 723761315 /nfs/dbraw/zinc/76/13/15/723761315.db2.gz GLHTVEGVPBDSNB-VIFPVBQESA-N 1 0 279.258 1.804 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000135748987 723772139 /nfs/dbraw/zinc/77/21/39/723772139.db2.gz IQWVKIARJMRORO-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1Cl ZINC000824484445 723871848 /nfs/dbraw/zinc/87/18/48/723871848.db2.gz HOIUWHOCYPWFJT-SECBINFHSA-N 1 0 268.744 1.661 20 10 CDCDRO COCC1([NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000816625676 723987152 /nfs/dbraw/zinc/98/71/52/723987152.db2.gz KURTVKXIFLLESJ-UHFFFAOYSA-N 1 0 269.316 1.817 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1C ZINC000840176344 724020884 /nfs/dbraw/zinc/02/08/84/724020884.db2.gz CVGOMHYWGBABHM-CYBMUJFWSA-N 1 0 276.380 1.919 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000386259674 724023748 /nfs/dbraw/zinc/02/37/48/724023748.db2.gz UUPYCMWZOYQOHH-ZYHUDNBSSA-N 1 0 269.366 1.366 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002866 724104323 /nfs/dbraw/zinc/10/43/23/724104323.db2.gz GFPVHGRORRFVOC-GXTWGEPZSA-N 1 0 292.379 1.495 20 10 CDCDRO CCOc1cccc(C[NH+]2CC(C)(CO)C2)c1O ZINC000839145076 724235301 /nfs/dbraw/zinc/23/53/01/724235301.db2.gz HHCIYQASKZOOSO-UHFFFAOYSA-N 1 0 251.326 1.605 20 10 CDCDRO COC[C@@]1(C(=O)N[C@H](C)c2ccccc2O)CC[NH2+]C1 ZINC000870987704 724360216 /nfs/dbraw/zinc/36/02/16/724360216.db2.gz AQKFTPSMOJBCGX-IAQYHMDHSA-N 1 0 278.352 1.196 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH3+] ZINC000841982784 724319123 /nfs/dbraw/zinc/31/91/23/724319123.db2.gz POEGFVRGMPIPBC-LBPRGKRZSA-N 1 0 278.400 1.631 20 10 CDCDRO COc1cc(CN2CCOC[C@@H]2C)c(O)cc1C ZINC000159775998 724507947 /nfs/dbraw/zinc/50/79/47/724507947.db2.gz ROVNENJHPJQOHI-NSHDSACASA-N 1 0 251.326 1.930 20 10 CDCDRO CNC(=O)CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825156146 724530989 /nfs/dbraw/zinc/53/09/89/724530989.db2.gz PDZXQNSDDMXCNB-UHFFFAOYSA-N 1 0 270.760 1.970 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1F ZINC000923008132 725946996 /nfs/dbraw/zinc/94/69/96/725946996.db2.gz PMHHPWPYVZNRBI-HAQNSBGRSA-N 1 0 252.333 1.752 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000787246040 724552994 /nfs/dbraw/zinc/55/29/94/724552994.db2.gz PUQLAWNGRSHJJV-ONGXEEELSA-N 1 0 293.319 1.504 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311954025 724570072 /nfs/dbraw/zinc/57/00/72/724570072.db2.gz YGLJHKFYIOADAE-JVLSTEMRSA-N 1 0 263.337 1.509 20 10 CDCDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000187150134 724591270 /nfs/dbraw/zinc/59/12/70/724591270.db2.gz FUYBCYUJOGXPLJ-LLVKDONJSA-N 1 0 278.352 1.654 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1O ZINC000846143922 724655247 /nfs/dbraw/zinc/65/52/47/724655247.db2.gz AVKOVUZQBIUHTI-RKDXNWHRSA-N 1 0 252.314 1.315 20 10 CDCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000794711874 724669080 /nfs/dbraw/zinc/66/90/80/724669080.db2.gz LCCBNLGHNLVNIV-MRXNPFEDSA-N 1 0 285.347 1.638 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)c(O)c1 ZINC000036793764 724720569 /nfs/dbraw/zinc/72/05/69/724720569.db2.gz DWEHATMDEKGMDI-GHMZBOCLSA-N 1 0 250.342 1.828 20 10 CDCDRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831938 724723989 /nfs/dbraw/zinc/72/39/89/724723989.db2.gz HVNYJYBWCBLNQE-CYBMUJFWSA-N 1 0 288.395 1.551 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000124578955 724747506 /nfs/dbraw/zinc/74/75/06/724747506.db2.gz RQWLCAOKCUBXAQ-ZDUSSCGKSA-N 1 0 260.337 1.507 20 10 CDCDRO CCn1ncnc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700903797 724754449 /nfs/dbraw/zinc/75/44/49/724754449.db2.gz GRKBZDZXFDHSRP-UHFFFAOYSA-N 1 0 271.368 1.710 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1 ZINC000824708985 724769965 /nfs/dbraw/zinc/76/99/65/724769965.db2.gz LQHGQQTZDPVIKQ-LRDDRELGSA-N 1 0 295.379 1.932 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc1OC ZINC000843049949 724809832 /nfs/dbraw/zinc/80/98/32/724809832.db2.gz ZOEHKBWRCURMRQ-GHMZBOCLSA-N 1 0 280.368 1.592 20 10 CDCDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148196 724812060 /nfs/dbraw/zinc/81/20/60/724812060.db2.gz XQCFLJQXFVXPCM-XTZNXHDOSA-N 1 0 271.382 1.820 20 10 CDCDRO COC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000181082706 724822282 /nfs/dbraw/zinc/82/22/82/724822282.db2.gz ZSUIBRGBXIARKP-UHFFFAOYSA-N 1 0 265.309 1.780 20 10 CDCDRO CN(CC[NH3+])C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000842510739 724830600 /nfs/dbraw/zinc/83/06/00/724830600.db2.gz TZFQJMXQKPYYHA-UHFFFAOYSA-N 1 0 290.392 1.347 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000877352935 723745051 /nfs/dbraw/zinc/74/50/51/723745051.db2.gz MEFYXOXJJQQQDG-ZDUSSCGKSA-N 1 0 289.379 1.737 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000825813450 723756098 /nfs/dbraw/zinc/75/60/98/723756098.db2.gz FJXMFMITSZXKQZ-UHFFFAOYSA-N 1 0 284.331 1.699 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@H](C)CCO)c(O)c1 ZINC000846110900 723833624 /nfs/dbraw/zinc/83/36/24/723833624.db2.gz LFYCXMGNRHOXFA-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO C[NH2+][C@H]1CCCN(Cc2cccc(OC)c2O)C1 ZINC000053201225 724000100 /nfs/dbraw/zinc/00/01/00/724000100.db2.gz MRUVUIZTYQYCSU-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2c(O)cccc2OC)CC1=O ZINC000824887029 724007086 /nfs/dbraw/zinc/00/70/86/724007086.db2.gz ORPHOVQFSFOYNV-JTQLQIEISA-N 1 0 264.325 1.111 20 10 CDCDRO CC[NH2+]CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000844175805 724031569 /nfs/dbraw/zinc/03/15/69/724031569.db2.gz UWGYNVBHOFMASY-UHFFFAOYSA-N 1 0 291.395 1.343 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000840822689 724332180 /nfs/dbraw/zinc/33/21/80/724332180.db2.gz OESVCSFYJABBCL-GFCCVEGCSA-N 1 0 292.379 1.646 20 10 CDCDRO COCC[C@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000840955846 724363733 /nfs/dbraw/zinc/36/37/33/724363733.db2.gz YKDJTWJFLXLNSO-JTQLQIEISA-N 1 0 267.325 1.883 20 10 CDCDRO Cc1ccc(C[N@H+](CCO)C2CCOCC2)c(O)c1 ZINC000877460089 725045769 /nfs/dbraw/zinc/04/57/69/725045769.db2.gz NYMWDOQWQMNOCR-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO C[C@@H]([NH2+]CCOCCO)c1ccc(Cl)cc1O ZINC000841745152 725045970 /nfs/dbraw/zinc/04/59/70/725045970.db2.gz VHVCJMPDIRCFDD-SECBINFHSA-N 1 0 259.733 1.705 20 10 CDCDRO COc1cc(C)cc(CN2CCO[C@H](CF)C2)c1O ZINC000840171254 725058074 /nfs/dbraw/zinc/05/80/74/725058074.db2.gz IFHBJTSVAZBZAP-GFCCVEGCSA-N 1 0 269.316 1.880 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COCC[C@H]2OC)c1 ZINC000724880315 725061996 /nfs/dbraw/zinc/06/19/96/725061996.db2.gz OULAKUBDQOCFLN-PSOPSSQASA-N 1 0 281.352 1.855 20 10 CDCDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1=CC(=O)CS1 ZINC000822156402 725069467 /nfs/dbraw/zinc/06/94/67/725069467.db2.gz QIZLPUUDGSRJSN-GHMZBOCLSA-N 1 0 266.366 1.810 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1 ZINC000872714594 725069591 /nfs/dbraw/zinc/06/95/91/725069591.db2.gz NVVITKFEQZTHAX-BETUJISGSA-N 1 0 288.347 1.056 20 10 CDCDRO NC(=O)Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000811509737 725077069 /nfs/dbraw/zinc/07/70/69/725077069.db2.gz BUZXFEGDVSTSMR-UHFFFAOYSA-N 1 0 288.322 1.849 20 10 CDCDRO OC/C=C\C[NH2+]Cc1ccc(Br)cc1O ZINC000717532810 725090965 /nfs/dbraw/zinc/09/09/65/725090965.db2.gz QWPZWOZILAXVDJ-UPHRSURJSA-N 1 0 272.142 1.793 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882520 725149544 /nfs/dbraw/zinc/14/95/44/725149544.db2.gz JSNUMIRXZHPDSJ-VXGBXAGGSA-N 1 0 278.400 1.708 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000792189035 725162081 /nfs/dbraw/zinc/16/20/81/725162081.db2.gz ZYRMPYNURLHIEK-LBPRGKRZSA-N 1 0 290.363 1.598 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862428939 725164460 /nfs/dbraw/zinc/16/44/60/725164460.db2.gz XMPWQLTVXPEMEP-GFCCVEGCSA-N 1 0 278.352 1.453 20 10 CDCDRO COc1cc(C(=O)NC2CN(CC(C)C)C2)cc(OC)n1 ZINC001030614161 725205870 /nfs/dbraw/zinc/20/58/70/725205870.db2.gz CTAAYUTZGDUDIQ-UHFFFAOYSA-N 1 0 293.367 1.169 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000858598510 725215952 /nfs/dbraw/zinc/21/59/52/725215952.db2.gz FKGJRQVNBYRSLM-CJNGLKHVSA-N 1 0 277.412 1.470 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(C)ccc1O ZINC000808436782 725218612 /nfs/dbraw/zinc/21/86/12/725218612.db2.gz CYXJZUQYORJHRH-LBPRGKRZSA-N 1 0 282.409 1.658 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@H](CO)COC(C)C)c1O ZINC000809768379 725234050 /nfs/dbraw/zinc/23/40/50/725234050.db2.gz JBVBWVNWXRXLKI-CQSZACIVSA-N 1 0 267.369 1.918 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000382546715 725246525 /nfs/dbraw/zinc/24/65/25/725246525.db2.gz DJRJMOHSTYOYEQ-ZDUSSCGKSA-N 1 0 289.759 1.541 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000846146046 725257887 /nfs/dbraw/zinc/25/78/87/725257887.db2.gz RHRINUFMGALMMO-GMSGAONNSA-N 1 0 279.258 1.975 20 10 CDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824710050 725260710 /nfs/dbraw/zinc/26/07/10/725260710.db2.gz VPZSAPCILGULFA-ZUZCIYMTSA-N 1 0 295.335 1.262 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841981784 725263074 /nfs/dbraw/zinc/26/30/74/725263074.db2.gz IVOZKTYVJSJQLY-CHWSQXEVSA-N 1 0 277.368 1.804 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH2+]C ZINC000851681473 725274234 /nfs/dbraw/zinc/27/42/34/725274234.db2.gz OKUAXKBCQGGMGT-LBPRGKRZSA-N 1 0 279.384 1.922 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842010858 725289174 /nfs/dbraw/zinc/28/91/74/725289174.db2.gz OTLAGWOVUJXZCW-YPMHNXCESA-N 1 0 277.368 1.661 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCOC2)c1O ZINC000228676508 725302045 /nfs/dbraw/zinc/30/20/45/725302045.db2.gz JOROSVKWLPKOCJ-JTQLQIEISA-N 1 0 257.717 1.933 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)NCC1CC1 ZINC000840938231 725315806 /nfs/dbraw/zinc/31/58/06/725315806.db2.gz ZQQUIRGQSDHSHM-UHFFFAOYSA-N 1 0 275.396 1.677 20 10 CDCDRO COCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000062734675 725323493 /nfs/dbraw/zinc/32/34/93/725323493.db2.gz TZBANGHGQFFONZ-UHFFFAOYSA-N 1 0 264.369 1.384 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](C[NH3+])C2)cc1F ZINC000841758321 725335689 /nfs/dbraw/zinc/33/56/89/725335689.db2.gz ANBZVBNAKCJXQE-GFCCVEGCSA-N 1 0 294.374 1.382 20 10 CDCDRO COCCNCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000817964543 725340638 /nfs/dbraw/zinc/34/06/38/725340638.db2.gz FCIAAZOZHWRNGT-NSHDSACASA-N 1 0 268.357 1.287 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc[nH]3)cc2)CC1 ZINC000881849963 725348484 /nfs/dbraw/zinc/34/84/84/725348484.db2.gz XZWOZNYNFYGALD-UHFFFAOYSA-N 1 0 298.390 1.697 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCNC2=O)cc1Cl ZINC000826120299 725354372 /nfs/dbraw/zinc/35/43/72/725354372.db2.gz BKLRYTLVFZVIQJ-SNVBAGLBSA-N 1 0 282.771 1.970 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(C)cc1O ZINC000858547616 725374870 /nfs/dbraw/zinc/37/48/70/725374870.db2.gz HOZNUQBHTBQOQK-HIFRSBDPSA-N 1 0 278.396 1.808 20 10 CDCDRO COCC[C@]1([NH2+]Cc2cccc(C)c2O)CCOC1 ZINC000775202991 725375229 /nfs/dbraw/zinc/37/52/29/725375229.db2.gz IJOZATLMOOUNNV-HNNXBMFYSA-N 1 0 265.353 1.986 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000381947876 725377418 /nfs/dbraw/zinc/37/74/18/725377418.db2.gz ANNGUHRDPUEGJA-JQWIXIFHSA-N 1 0 262.353 1.882 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000862542303 725382290 /nfs/dbraw/zinc/38/22/90/725382290.db2.gz LGVMVMXAESEJSC-SECBINFHSA-N 1 0 286.759 1.852 20 10 CDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876789657 725387511 /nfs/dbraw/zinc/38/75/11/725387511.db2.gz FQIYPRRSIAZDSY-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO O=[N+]([O-])CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000791055454 725402800 /nfs/dbraw/zinc/40/28/00/725402800.db2.gz UMAWIMKFSQGTCL-CYBMUJFWSA-N 1 0 280.324 1.650 20 10 CDCDRO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293387 725403192 /nfs/dbraw/zinc/40/31/92/725403192.db2.gz VUEHUULGVAHJRP-DDTOSNHZSA-N 1 0 261.369 1.525 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000858382144 725404338 /nfs/dbraw/zinc/40/43/38/725404338.db2.gz QCAVGNXZWALYGO-UHFFFAOYSA-N 1 0 291.395 1.984 20 10 CDCDRO CC[NH2+]CCNCc1cc(OC)c(OC)cc1O ZINC000841038182 725406858 /nfs/dbraw/zinc/40/68/58/725406858.db2.gz XRSUVYVVHBMCCI-UHFFFAOYSA-N 1 0 254.330 1.109 20 10 CDCDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000397964295 725409153 /nfs/dbraw/zinc/40/91/53/725409153.db2.gz JJBFMYITOIOIAQ-WCBMZHEXSA-N 1 0 267.350 1.962 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1 ZINC000228356416 725409217 /nfs/dbraw/zinc/40/92/17/725409217.db2.gz DLEVDSUFSXKDBL-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO CCCN1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000817411055 725410390 /nfs/dbraw/zinc/41/03/90/725410390.db2.gz LXLFTERJVIGNLF-CQSZACIVSA-N 1 0 288.391 1.970 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1cccc(C)c1O ZINC000775700026 725416477 /nfs/dbraw/zinc/41/64/77/725416477.db2.gz KLSDDGLHSRPNFO-UHFFFAOYSA-N 1 0 281.352 1.712 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843439562 725435215 /nfs/dbraw/zinc/43/52/15/725435215.db2.gz KRKKCWIFSRELHK-MYJAWHEDSA-N 1 0 283.422 1.207 20 10 CDCDRO OC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000294026780 725438569 /nfs/dbraw/zinc/43/85/69/725438569.db2.gz NWPCCSLNSLSPER-NSHDSACASA-N 1 0 279.336 1.715 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](CO)COC(C)C)c1 ZINC000809768481 725451161 /nfs/dbraw/zinc/45/11/61/725451161.db2.gz MRZMTXPGWCUHCW-CQSZACIVSA-N 1 0 267.369 1.918 20 10 CDCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000067504767 725454368 /nfs/dbraw/zinc/45/43/68/725454368.db2.gz ROJZWRRQVXGYCQ-NSHDSACASA-N 1 0 258.325 1.391 20 10 CDCDRO CCc1cccc(C[N@H+](CCO)C2CCOCC2)c1O ZINC000848906014 725476268 /nfs/dbraw/zinc/47/62/68/725476268.db2.gz POYPUUBCJSMHDY-UHFFFAOYSA-N 1 0 279.380 1.928 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1F ZINC000166462073 725491659 /nfs/dbraw/zinc/49/16/59/725491659.db2.gz IAASVJZYCLMNPQ-LBPRGKRZSA-N 1 0 279.359 1.650 20 10 CDCDRO C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882309 725505630 /nfs/dbraw/zinc/50/56/30/725505630.db2.gz INLBQLGLUMQJJR-QWHCGFSZSA-N 1 0 290.411 1.804 20 10 CDCDRO CC(C)(C[NH3+])C(=O)NCCCSc1nccs1 ZINC000236607199 725505810 /nfs/dbraw/zinc/50/58/10/725505810.db2.gz UGFBYHKVBLMELQ-UHFFFAOYSA-N 1 0 273.427 1.726 20 10 CDCDRO COc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000857005993 725513807 /nfs/dbraw/zinc/51/38/07/725513807.db2.gz HHFZNEGHWSMUPB-LBPRGKRZSA-N 1 0 292.379 1.797 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C[C@H]2CNC(=O)C2)C2CC2)cc1 ZINC000851732494 725567337 /nfs/dbraw/zinc/56/73/37/725567337.db2.gz RVEFIEZPGHPSBF-CQSZACIVSA-N 1 0 287.407 1.853 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)cc1 ZINC000844404981 725596192 /nfs/dbraw/zinc/59/61/92/725596192.db2.gz XKGWEHKKBWNBFX-HZPDHXFCSA-N 1 0 278.396 1.724 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+](CCO)CC2CC2)c1O ZINC000708575707 725609653 /nfs/dbraw/zinc/60/96/53/725609653.db2.gz UREVHOTXGBSDPK-UHFFFAOYSA-N 1 0 281.327 1.938 20 10 CDCDRO COCCNC(=O)C1([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000839191781 725699089 /nfs/dbraw/zinc/69/90/89/725699089.db2.gz FIVHQDRVMSLEJY-UHFFFAOYSA-N 1 0 278.352 1.085 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000720939113 725711553 /nfs/dbraw/zinc/71/15/53/725711553.db2.gz HIGWFMFFYNCVDC-GARJFASQSA-N 1 0 251.326 1.822 20 10 CDCDRO C[NH+](C)C1(C(=O)NCCc2ccc(O)c(O)c2)CCC1 ZINC000157831862 725918318 /nfs/dbraw/zinc/91/83/18/725918318.db2.gz VWUWILJIAUHVAS-UHFFFAOYSA-N 1 0 278.352 1.241 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000848431539 725924543 /nfs/dbraw/zinc/92/45/43/725924543.db2.gz XXWVXFPSSMOENE-QWHCGFSZSA-N 1 0 291.395 1.246 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000846695742 725941179 /nfs/dbraw/zinc/94/11/79/725941179.db2.gz AEDBDZFAALQCJN-QWHCGFSZSA-N 1 0 293.411 1.573 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COCCN2)cc1 ZINC000863484074 725959798 /nfs/dbraw/zinc/95/97/98/725959798.db2.gz SUVJAULKBYZTBL-HNNXBMFYSA-N 1 0 277.412 1.611 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C(=O)NCCF ZINC000840943038 725986072 /nfs/dbraw/zinc/98/60/72/725986072.db2.gz PWSBSBPHTGWQKK-GFCCVEGCSA-N 1 0 281.375 1.625 20 10 CDCDRO CC[C@H]([NH2+]CCN1CCNC1=O)c1ccccc1O ZINC000808744432 725996438 /nfs/dbraw/zinc/99/64/38/725996438.db2.gz ZVKKISOVIDIHCG-LBPRGKRZSA-N 1 0 263.341 1.458 20 10 CDCDRO COc1cccc(CNC(=O)NC[C@H](C)[NH+](C)C)c1O ZINC000838683725 726006801 /nfs/dbraw/zinc/00/68/01/726006801.db2.gz HEUNBYBQUSUJEE-JTQLQIEISA-N 1 0 281.356 1.150 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+]CC2(C)C)cc1OC ZINC000843054648 726008742 /nfs/dbraw/zinc/00/87/42/726008742.db2.gz ZCMXFMUHUMGDFH-UHFFFAOYSA-N 1 0 280.368 1.593 20 10 CDCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@@H]1CCCO1 ZINC000877490047 1166046555 /nfs/dbraw/zinc/04/65/55/1166046555.db2.gz SRNNHEBEILTVOI-HIFRSBDPSA-N 1 0 265.353 1.984 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN3CC(=O)C3)cc2)CC1 ZINC001140303902 895726648 /nfs/dbraw/zinc/72/66/48/895726648.db2.gz DBNAGTHMJQFWOM-UHFFFAOYSA-N 1 0 273.380 1.213 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c1O ZINC001272625258 914206160 /nfs/dbraw/zinc/20/61/60/914206160.db2.gz JGSSTRDGDQMHJO-MRXNPFEDSA-N 1 0 290.363 1.455 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001270067425 904321504 /nfs/dbraw/zinc/32/15/04/904321504.db2.gz IMIYWLKATKJLTE-PBINXNQUSA-N 1 0 292.335 1.158 20 10 CDCDRO CCN(CC)c1ccc(CN2CC([NH2+]C)C2)c(OC)c1 ZINC001204706671 908445716 /nfs/dbraw/zinc/44/57/16/908445716.db2.gz LKXJIECCBKTKEV-UHFFFAOYSA-N 1 0 277.412 1.945 20 10 CDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC001172037087 911163746 /nfs/dbraw/zinc/16/37/46/911163746.db2.gz VOXHZRDKPWMXSY-CQSZACIVSA-N 1 0 275.396 1.853 20 10 CDCDRO C[C@@H]1CN(Cc2cc(F)c(F)cc2O)C[C@H](C)[NH2+]1 ZINC001236577905 915650470 /nfs/dbraw/zinc/65/04/70/915650470.db2.gz IBALMRWHNFEGHR-DTORHVGOSA-N 1 0 256.296 1.853 20 10 CDCDRO O=C([C@H]1C[NH+]2CCC1CC2)N1CCc2cccc(O)c2C1 ZINC001182013615 917615428 /nfs/dbraw/zinc/61/54/28/917615428.db2.gz RVEBWXHURHCGTL-HNNXBMFYSA-N 1 0 286.375 1.619 20 10 CDCDRO COc1cc(CN(C)CCF)cc(C[NH+](C)C)c1O ZINC001139259774 936611708 /nfs/dbraw/zinc/61/17/08/936611708.db2.gz GXYZDTCIUMGXEP-UHFFFAOYSA-N 1 0 270.348 1.864 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001140178490 936684356 /nfs/dbraw/zinc/68/43/56/936684356.db2.gz MPLFYRMGTWDULQ-GOEBONIOSA-N 1 0 279.380 1.574 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001140742471 936747946 /nfs/dbraw/zinc/74/79/46/936747946.db2.gz PLEICSYOAADDQH-PWSUYJOCSA-N 1 0 255.289 1.311 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c1O ZINC001140744100 936748642 /nfs/dbraw/zinc/74/86/42/936748642.db2.gz LYWZCMOGIBRESC-BONVTDFDSA-N 1 0 265.353 1.999 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(O)c(C)c2O)C[C@H]1C ZINC001140751326 936750112 /nfs/dbraw/zinc/75/01/12/936750112.db2.gz SBGYIVDLRQTLAI-LLVKDONJSA-N 1 0 264.369 1.932 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001140948054 936782243 /nfs/dbraw/zinc/78/22/43/936782243.db2.gz QVIXQPSZHQSWKQ-AWEZNQCLSA-N 1 0 251.326 1.284 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@@H]([NH+](C)C)C2)c(OC)c1 ZINC001141028569 936794079 /nfs/dbraw/zinc/79/40/79/936794079.db2.gz UYTQJZNIGHGMNP-GFCCVEGCSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC3(COC3)C2)c(OC)c1 ZINC001141026311 936794398 /nfs/dbraw/zinc/79/43/98/936794398.db2.gz LCTPBBJWHSSOBB-UHFFFAOYSA-N 1 0 279.336 1.632 20 10 CDCDRO CC(=O)NC1CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076474 936810113 /nfs/dbraw/zinc/81/01/13/936810113.db2.gz SUPGXBZTKYQHLF-UHFFFAOYSA-N 1 0 299.418 1.706 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c1 ZINC001141156586 936821394 /nfs/dbraw/zinc/82/13/94/936821394.db2.gz NXFXCUHOEGSVFL-YPMHNXCESA-N 1 0 255.289 1.393 20 10 CDCDRO CC[N@H+](CCOC)Cc1ccc2c(c1)OCCN2C ZINC001141139178 936818819 /nfs/dbraw/zinc/81/88/19/936818819.db2.gz MAZZGCWFEDINSM-UHFFFAOYSA-N 1 0 264.369 1.984 20 10 CDCDRO CCN(C(C)=O)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161847 936823147 /nfs/dbraw/zinc/82/31/47/936823147.db2.gz FZVNSYNWBMQAPE-UHFFFAOYSA-N 1 0 292.379 1.931 20 10 CDCDRO [NH3+]CCN(CCO)c1ccc(O[C@H]2CCCCO2)cc1 ZINC001163837218 924303985 /nfs/dbraw/zinc/30/39/85/924303985.db2.gz VJXLGMGPFJLKJM-HNNXBMFYSA-N 1 0 280.368 1.349 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(CCO)CC2)c1 ZINC000775647977 924507791 /nfs/dbraw/zinc/50/77/91/924507791.db2.gz KTKVRFADIXKRPW-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO CCNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001195365358 924566873 /nfs/dbraw/zinc/56/68/73/924566873.db2.gz IUPCJBFXADZMCO-UHFFFAOYSA-N 1 0 293.436 1.841 20 10 CDCDRO COC(=O)c1cc(OC)ccc1N1CC[C@@H]([NH3+])C1 ZINC001164281590 924749976 /nfs/dbraw/zinc/74/99/76/924749976.db2.gz HTAZRIVERGPNSI-SECBINFHSA-N 1 0 250.298 1.019 20 10 CDCDRO C[NH2+]CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841934615 937023666 /nfs/dbraw/zinc/02/36/66/937023666.db2.gz CNWKMQJWSPZIIQ-UHFFFAOYSA-N 1 0 277.368 1.290 20 10 CDCDRO CC(C)(C)c1cccc(CN2CCO[C@@H](CO)C2)c1O ZINC001143103621 937120523 /nfs/dbraw/zinc/12/05/23/937120523.db2.gz HPFNMHGENAFXGA-CYBMUJFWSA-N 1 0 279.380 1.883 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001143104741 937120715 /nfs/dbraw/zinc/12/07/15/937120715.db2.gz YZNZIYGCNKEJSP-HIFRSBDPSA-N 1 0 293.407 1.865 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000817975731 930655365 /nfs/dbraw/zinc/65/53/65/930655365.db2.gz AHBFNURRFQJXGA-DCAQKATOSA-N 1 0 268.332 1.751 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)cc1C ZINC001170993843 931182943 /nfs/dbraw/zinc/18/29/43/931182943.db2.gz BFKKMFFPXDNSQU-UHFFFAOYSA-N 1 0 266.341 1.332 20 10 CDCDRO OC[C@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499400 931858081 /nfs/dbraw/zinc/85/80/81/931858081.db2.gz FYBYIWINBBKWLP-SECBINFHSA-N 1 0 253.298 1.150 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001144499165 931858370 /nfs/dbraw/zinc/85/83/70/931858370.db2.gz CUSOJUXXINTEFL-AOOOYVTPSA-N 1 0 251.282 1.167 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@@]1(C)O ZINC001144504375 931864781 /nfs/dbraw/zinc/86/47/81/931864781.db2.gz RHLFCZIEIBPQAH-MEBBXXQBSA-N 1 0 281.352 1.786 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]12 ZINC001144520411 931872028 /nfs/dbraw/zinc/87/20/28/931872028.db2.gz PZMNEZFGMPWMOB-MWLCHTKSSA-N 1 0 277.320 1.604 20 10 CDCDRO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514865 931878850 /nfs/dbraw/zinc/87/88/50/931878850.db2.gz VOHZOBDTJDUDGA-NSHDSACASA-N 1 0 281.308 1.331 20 10 CDCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515414 931879302 /nfs/dbraw/zinc/87/93/02/931879302.db2.gz NSSXGCGRHJJNEQ-SNVBAGLBSA-N 1 0 295.335 1.579 20 10 CDCDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515599 931880174 /nfs/dbraw/zinc/88/01/74/931880174.db2.gz RTDLTZOFZGCLTA-LBPRGKRZSA-N 1 0 265.309 1.747 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN(C)C3)c(O)c1 ZINC001275585272 931895157 /nfs/dbraw/zinc/89/51/57/931895157.db2.gz QLESRIPJUWVGTO-DOMZBBRYSA-N 1 0 275.396 1.594 20 10 CDCDRO COCCC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138128715 932460232 /nfs/dbraw/zinc/46/02/32/932460232.db2.gz WIVDGZUEXBAPMI-UHFFFAOYSA-N 1 0 282.359 1.685 20 10 CDCDRO [NH3+]Cc1ncccc1NC(=O)c1cccc(O)c1O ZINC001148224841 932672541 /nfs/dbraw/zinc/67/25/41/932672541.db2.gz WOEBCZHBZHNIFD-UHFFFAOYSA-N 1 0 259.265 1.204 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@@H]2C)cc1C ZINC001122927735 936083597 /nfs/dbraw/zinc/08/35/97/936083597.db2.gz FKAVDPJJRRWPKD-FZMZJTMJSA-N 1 0 276.380 1.865 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c1O ZINC001203599235 939695379 /nfs/dbraw/zinc/69/53/79/939695379.db2.gz DYROLZLFDOHVBO-ZDUSSCGKSA-N 1 0 278.352 1.453 20 10 CDCDRO CCOc1cccc(CN2CC(N(C)C3COC3)C2)c1O ZINC001203614118 939696594 /nfs/dbraw/zinc/69/65/94/939696594.db2.gz PHHREIIIIDULMI-UHFFFAOYSA-N 1 0 292.379 1.306 20 10 CDCDRO Oc1ccc(C[NH+]2CCC(n3cnnc3)CC2)cc1O ZINC001203879981 939710732 /nfs/dbraw/zinc/71/07/32/939710732.db2.gz LEIMTYWNVKZZHU-UHFFFAOYSA-N 1 0 274.324 1.526 20 10 CDCDRO Oc1ccc(CN2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC001204275534 939749849 /nfs/dbraw/zinc/74/98/49/939749849.db2.gz VPYVLLVYVPYYRH-UHFFFAOYSA-N 1 0 262.353 1.625 20 10 CDCDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)O1 ZINC001204279425 939752419 /nfs/dbraw/zinc/75/24/19/939752419.db2.gz YSDGRIZMLVGYHA-CQSZACIVSA-N 1 0 278.308 1.172 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc(O)c1O ZINC001204346305 939759475 /nfs/dbraw/zinc/75/94/75/939759475.db2.gz MRVFQASAVRNISK-YPMHNXCESA-N 1 0 279.336 1.717 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(N2CCOCC2)cc1 ZINC001205069412 939819951 /nfs/dbraw/zinc/81/99/51/939819951.db2.gz ZRASRIAHCAPCLW-YOEHRIQHSA-N 1 0 289.423 1.835 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC[C@H]1C[NH3+] ZINC001205626780 939909701 /nfs/dbraw/zinc/90/97/01/939909701.db2.gz JBSJGITYMQUKND-YPMHNXCESA-N 1 0 292.379 1.897 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1 ZINC001206404609 940032471 /nfs/dbraw/zinc/03/24/71/940032471.db2.gz MNNQNAIQXUYRIL-GHMZBOCLSA-N 1 0 254.305 1.272 20 10 CDCDRO COc1ccc(C[NH+]2CCC(CO)CC2)c(O)c1 ZINC000305740883 940893965 /nfs/dbraw/zinc/89/39/65/940893965.db2.gz ZFECFYONGXNCLX-UHFFFAOYSA-N 1 0 251.326 1.605 20 10 CDCDRO C[C@H]1CC[C@H](NC(=O)CCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001219584946 941359196 /nfs/dbraw/zinc/35/91/96/941359196.db2.gz NQEQUQQVBKEDNZ-JQWIXIFHSA-N 1 0 278.352 1.287 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2C[NH2+]Cc3ccsc32)cc1 ZINC001219826553 941389585 /nfs/dbraw/zinc/38/95/85/941389585.db2.gz TWFJKDXMTYEVSH-ZDUSSCGKSA-N 1 0 287.388 1.834 20 10 CDCDRO C[NH2+]CCC(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212845 941424266 /nfs/dbraw/zinc/42/42/66/941424266.db2.gz YQAYYPPMJGCNEG-UHFFFAOYSA-N 1 0 293.754 1.820 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226468137 942010442 /nfs/dbraw/zinc/01/04/42/942010442.db2.gz MSOSHQYWFWAWOA-QMMMGPOBSA-N 1 0 299.323 1.466 20 10 CDCDRO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001277440934 942575915 /nfs/dbraw/zinc/57/59/15/942575915.db2.gz HFOUEAHWEMIBRZ-BLLLJJGKSA-N 1 0 298.346 1.718 20 10 CDCDRO C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231455602 942899629 /nfs/dbraw/zinc/89/96/29/942899629.db2.gz RKZZZEVCVUTHBN-BETUJISGSA-N 1 0 276.336 1.084 20 10 CDCDRO Cc1cccc(C[NH+]2CC3(C2)CCN(C)C3=O)c1O ZINC001231594487 942938902 /nfs/dbraw/zinc/93/89/02/942938902.db2.gz GMAUZQQORLBFDP-UHFFFAOYSA-N 1 0 260.337 1.365 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001231591299 942939215 /nfs/dbraw/zinc/93/92/15/942939215.db2.gz ZXNSXVWWPJWBCC-ZFWWWQNUSA-N 1 0 265.353 1.266 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(O)cc1O ZINC001231634456 942948774 /nfs/dbraw/zinc/94/87/74/942948774.db2.gz NESHRFROKPVBDD-ZYHUDNBSSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(CN2CC[NH+](CC3CC3)CC2)c(O)cc1O ZINC001231634858 942950831 /nfs/dbraw/zinc/95/08/31/942950831.db2.gz ALGVQAYFMNOJCU-UHFFFAOYSA-N 1 0 292.379 1.634 20 10 CDCDRO Cc1cc(C)c(C[N@H+]2CCCN(C)C(=O)C2)c(O)c1 ZINC001231847025 943026978 /nfs/dbraw/zinc/02/69/78/943026978.db2.gz UNZOHCZQSFCXLI-UHFFFAOYSA-N 1 0 262.353 1.673 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC001231842383 943027257 /nfs/dbraw/zinc/02/72/57/943027257.db2.gz QVKINMRYWXOJGO-GFCCVEGCSA-N 1 0 262.353 1.706 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnccn2)c(O)c1 ZINC001232838724 943415257 /nfs/dbraw/zinc/41/52/57/943415257.db2.gz CMIQUVWRIXCQEJ-UHFFFAOYSA-N 1 0 272.352 1.880 20 10 CDCDRO C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(F)c(F)c1[O-] ZINC001233078538 943486744 /nfs/dbraw/zinc/48/67/44/943486744.db2.gz YDMXFPSBEFOWPG-UHFFFAOYSA-N 1 0 299.365 1.350 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1 ZINC001233284559 943531679 /nfs/dbraw/zinc/53/16/79/943531679.db2.gz ZJOQQMLPWHDTMJ-IUODEOHRSA-N 1 0 279.380 1.475 20 10 CDCDRO CN(Cc1c(O)ccc(F)c1F)[C@H]1CC[N@H+](C)C1 ZINC001233334463 943545555 /nfs/dbraw/zinc/54/55/55/943545555.db2.gz IDOOYKCMBQYZOR-VIFPVBQESA-N 1 0 256.296 1.806 20 10 CDCDRO CC[NH+]1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233331958 943547137 /nfs/dbraw/zinc/54/71/37/943547137.db2.gz RUHOKJXTXKPRHS-UHFFFAOYSA-N 1 0 256.296 1.808 20 10 CDCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)c(O)cc1O ZINC001233483727 943593072 /nfs/dbraw/zinc/59/30/72/943593072.db2.gz JKNFSMRQMSIMFZ-AOOOYVTPSA-N 1 0 263.293 1.499 20 10 CDCDRO CC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486789 943595158 /nfs/dbraw/zinc/59/51/58/943595158.db2.gz BVAYUEDYULLLGN-VIFPVBQESA-N 1 0 251.282 1.214 20 10 CDCDRO CC(C)[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)CC[NH2+]1 ZINC001235472668 944167564 /nfs/dbraw/zinc/16/75/64/944167564.db2.gz VAGADDVYFIAVTE-HNNXBMFYSA-N 1 0 289.423 1.945 20 10 CDCDRO COC(=O)Cc1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235998300 944367134 /nfs/dbraw/zinc/36/71/34/944367134.db2.gz YCHZSCNTASTYKX-CJNGLKHVSA-N 1 0 290.363 1.031 20 10 CDCDRO COc1cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(O)cc1O ZINC001236577862 944515133 /nfs/dbraw/zinc/51/51/33/944515133.db2.gz HXWWZOBPWGDLKD-NXEZZACHSA-N 1 0 266.341 1.289 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(Cl)c1 ZINC001236798009 944571292 /nfs/dbraw/zinc/57/12/92/944571292.db2.gz KJTCINOUGHBRJF-DGCLKSJQSA-N 1 0 289.734 1.959 20 10 CDCDRO COc1cc(C)c(C[NH+]2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001236812342 944579012 /nfs/dbraw/zinc/57/90/12/944579012.db2.gz CNVXYRIMAFDNPE-UHFFFAOYSA-N 1 0 278.352 1.229 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)CCC(=O)N(C)C ZINC001237487810 944813017 /nfs/dbraw/zinc/81/30/17/944813017.db2.gz NIQIDAHJEQCNET-UHFFFAOYSA-N 1 0 250.342 1.611 20 10 CDCDRO COc1cc(CN2CCC([NH+](C)C)CC2)c(O)c(OC)c1 ZINC001237675275 944920893 /nfs/dbraw/zinc/92/08/93/944920893.db2.gz VFEAAVDIVQQGEN-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO CCOc1ccc(N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC001261298068 946046806 /nfs/dbraw/zinc/04/68/06/946046806.db2.gz YGHRKLZWGBZCIP-CYBMUJFWSA-N 1 0 264.369 1.588 20 10 CDCDRO Oc1cccc(C[NH2+][C@H]2CC3CCN(CC3)C2)c1O ZINC001254848550 947626523 /nfs/dbraw/zinc/62/65/23/947626523.db2.gz PTYFAIPVKIYKLZ-ZDUSSCGKSA-N 1 0 262.353 1.672 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+]C2CCSCC2)cc1O ZINC001255076134 947719882 /nfs/dbraw/zinc/71/98/82/947719882.db2.gz HTVBSARWRPWGJK-CYBMUJFWSA-N 1 0 269.366 1.616 20 10 CDCDRO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001255242437 947789109 /nfs/dbraw/zinc/78/91/09/947789109.db2.gz HNNBXGWKYUGCQU-ZDUSSCGKSA-N 1 0 295.402 1.390 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCSC2)cc1O ZINC001255267789 947794892 /nfs/dbraw/zinc/79/48/92/947794892.db2.gz RCFCPJKRTDOMGL-SKDRFNHKSA-N 1 0 255.339 1.226 20 10 CDCDRO C[N@@H+]1CCC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255492779 947947538 /nfs/dbraw/zinc/94/75/38/947947538.db2.gz MPHWRAKCHXVLJI-CQSZACIVSA-N 1 0 276.380 1.940 20 10 CDCDRO COC(=O)CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258345827 948765630 /nfs/dbraw/zinc/76/56/30/948765630.db2.gz KKIVRYBYKGTGOQ-TVQRCGJNSA-N 1 0 283.324 1.063 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H]2C)c(O)c1 ZINC001249172102 949440533 /nfs/dbraw/zinc/44/05/33/949440533.db2.gz IYEXEKDFWGYMNB-LLVKDONJSA-N 1 0 279.336 1.328 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC001249201037 949455040 /nfs/dbraw/zinc/45/50/40/949455040.db2.gz BTHPANLHINVDQA-CQSZACIVSA-N 1 0 292.379 1.244 20 10 CDCDRO COC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001252819655 951661472 /nfs/dbraw/zinc/66/14/72/951661472.db2.gz ZHKMNBZUYAIOKO-AWEZNQCLSA-N 1 0 294.395 1.133 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)NCc1cccc(OC)c1O ZINC001327485481 954902641 /nfs/dbraw/zinc/90/26/41/954902641.db2.gz FKRILWIITFFNLH-SNVBAGLBSA-N 1 0 281.356 1.198 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCS(C)(=O)=O)cc1F ZINC001308227444 956497718 /nfs/dbraw/zinc/49/77/18/956497718.db2.gz LAHPPOBAKULKFA-UHFFFAOYSA-N 1 0 274.361 1.026 20 10 CDCDRO OCC1CCN(CC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC001318516118 958151355 /nfs/dbraw/zinc/15/13/55/958151355.db2.gz YYMQUWNHIRJHLR-UHFFFAOYSA-N 1 0 298.814 1.840 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001336909292 960732507 /nfs/dbraw/zinc/73/25/07/960732507.db2.gz OKRYQXAUPJTZSF-VNHYZAJKSA-N 1 0 288.395 1.456 20 10 CDCDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC001323566173 960826538 /nfs/dbraw/zinc/82/65/38/960826538.db2.gz GGKWLQBEYMASSI-UKOWJOKBSA-N 1 0 290.363 1.567 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNCC[NH3+] ZINC001340178601 962792554 /nfs/dbraw/zinc/79/25/54/962792554.db2.gz CGQKQVPFCKJBRJ-UHFFFAOYSA-N 1 0 292.427 1.038 20 10 CDCDRO C[NH2+]C1(C(=O)NCc2ccc(N(C)C)cc2C)CCC1 ZINC001340222745 962826750 /nfs/dbraw/zinc/82/67/50/962826750.db2.gz OVTBPIMUBCUBAK-UHFFFAOYSA-N 1 0 275.396 1.819 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)C12CC(C1)C[NH2+]2 ZINC001341847370 963558086 /nfs/dbraw/zinc/55/80/86/963558086.db2.gz SXULITGVDVUXIE-UHFFFAOYSA-N 1 0 286.375 1.639 20 10 CDCDRO Cn1cc(/C=C/C(=O)N2C[C@H](CC[NH3+])c3ccccc32)cn1 ZINC001354511512 968746865 /nfs/dbraw/zinc/74/68/65/968746865.db2.gz GKAZDCXDEFSTFU-UZYOAWRESA-N 1 0 296.374 1.913 20 10 CDCDRO Nc1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC001356556785 969426911 /nfs/dbraw/zinc/42/69/11/969426911.db2.gz JQBFSGJWSHXXCH-UHFFFAOYSA-N 1 0 290.411 1.944 20 10 CDCDRO OCc1cn(CCC[NH2+]Cc2cc(Cl)ccc2O)nn1 ZINC000810162330 1163176876 /nfs/dbraw/zinc/17/68/76/1163176876.db2.gz CWEYCEFDOKANTK-UHFFFAOYSA-N 1 0 296.758 1.309 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H](O)C(C)(C)C2)c1O ZINC000279067832 362287179 /nfs/dbraw/zinc/28/71/79/362287179.db2.gz ADUZGXDAFOHPLW-ZDUSSCGKSA-N 1 0 281.327 1.937 20 10 CDCDRO COc1cc(Cl)cc(CNC2(C)C[NH2+]C2)c1O ZINC001579155922 1172108622 /nfs/dbraw/zinc/10/86/22/1172108622.db2.gz WSGHVXDRBDXENS-UHFFFAOYSA-N 1 0 256.733 1.506 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)c1O ZINC000293921504 358489143 /nfs/dbraw/zinc/48/91/43/358489143.db2.gz MQOHUJAJEHBZQW-ONGXEEELSA-N 1 0 285.365 1.066 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCCO)CC2)cc1 ZINC000035649687 356153629 /nfs/dbraw/zinc/15/36/29/356153629.db2.gz FMNNGYVCFZAABM-UHFFFAOYSA-N 1 0 264.369 1.590 20 10 CDCDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037751964 356528845 /nfs/dbraw/zinc/52/88/45/356528845.db2.gz KOIIODDQLGUWFN-LBPRGKRZSA-N 1 0 263.385 1.882 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCCO1)OCO2 ZINC000042880561 358983698 /nfs/dbraw/zinc/98/36/98/358983698.db2.gz LYVIUYGEELDFLE-NSHDSACASA-N 1 0 265.309 1.780 20 10 CDCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1cnn(C)c1 ZINC000515063545 360430588 /nfs/dbraw/zinc/43/05/88/360430588.db2.gz WKLSTXGLTURDNH-UHFFFAOYSA-N 1 0 272.352 1.459 20 10 CDCDRO COc1cccc(C[N@@H+]2CCOC[C@@H](C)C2)c1O ZINC000370051020 360686484 /nfs/dbraw/zinc/68/64/84/360686484.db2.gz BDEJJYYALXPOTO-NSHDSACASA-N 1 0 251.326 1.869 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]([NH+](C)C)C2)cc1OC ZINC000271073318 364907208 /nfs/dbraw/zinc/90/72/08/364907208.db2.gz FZEBWYIHQBSBDE-LBPRGKRZSA-N 1 0 280.368 1.545 20 10 CDCDRO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(O)c1O ZINC000272709639 365360566 /nfs/dbraw/zinc/36/05/66/365360566.db2.gz DLYZLAPFFUBGBS-GFCCVEGCSA-N 1 0 292.379 1.820 20 10 CDCDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000273718696 365520486 /nfs/dbraw/zinc/52/04/86/365520486.db2.gz HSCXLFQZHFXASA-ZDUSSCGKSA-N 1 0 293.342 1.567 20 10 CDCDRO CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1O ZINC000230994407 367539701 /nfs/dbraw/zinc/53/97/01/367539701.db2.gz ALJZEBKHFIXTGK-LBPRGKRZSA-N 1 0 286.397 1.324 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c1 ZINC000281202913 367604080 /nfs/dbraw/zinc/60/40/80/367604080.db2.gz TTXJRMPESPJDHE-MRXNPFEDSA-N 1 0 292.379 1.749 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1C ZINC000281349456 367625460 /nfs/dbraw/zinc/62/54/60/367625460.db2.gz TYWAEEJEWYYFLH-KGLIPLIRSA-N 1 0 290.363 1.939 20 10 CDCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)NCCF ZINC000282437418 367884514 /nfs/dbraw/zinc/88/45/14/367884514.db2.gz DOZMPDXZSPDZCP-IUCAKERBSA-N 1 0 272.295 1.656 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)cc1C ZINC000284250551 368508507 /nfs/dbraw/zinc/50/85/07/368508507.db2.gz FPLDKKFJOUEBHX-GJZGRUSLSA-N 1 0 292.423 1.896 20 10 CDCDRO COc1cccc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1O ZINC000284289255 368509277 /nfs/dbraw/zinc/50/92/77/368509277.db2.gz IAAFJMHTLGAMLJ-STQMWFEESA-N 1 0 294.395 1.288 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286883013 369011533 /nfs/dbraw/zinc/01/15/33/369011533.db2.gz FJNMPCKARZLRBC-STUBTGCMSA-N 1 0 264.325 1.177 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134524622 369565984 /nfs/dbraw/zinc/56/59/84/369565984.db2.gz POLNXYLAJIXXLX-GFCCVEGCSA-N 1 0 262.353 1.740 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000274170728 371188647 /nfs/dbraw/zinc/18/86/47/371188647.db2.gz WNWHFTRMTJLPSF-ZDUSSCGKSA-N 1 0 283.393 1.710 20 10 CDCDRO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1O ZINC000296835379 371929781 /nfs/dbraw/zinc/92/97/81/371929781.db2.gz DDXKILFYHITNEF-YOGCLGLASA-N 1 0 290.363 1.761 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000120950208 374618636 /nfs/dbraw/zinc/61/86/36/374618636.db2.gz YACPHBAIQHBLPW-QGZVFWFLSA-N 1 0 289.423 1.659 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000123965304 374743837 /nfs/dbraw/zinc/74/38/37/374743837.db2.gz BXQILSBSCLRYQV-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)c(O)c1 ZINC000271191653 391291110 /nfs/dbraw/zinc/29/11/10/391291110.db2.gz LVHLXDONSDBGKO-AWEZNQCLSA-N 1 0 292.379 1.844 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccccc1O ZINC000281917014 391426760 /nfs/dbraw/zinc/42/67/60/391426760.db2.gz AHFYRFLAICGNTD-JQWIXIFHSA-N 1 0 268.332 1.907 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000372692738 391862157 /nfs/dbraw/zinc/86/21/57/391862157.db2.gz USAVCULDHFXGJA-OAHLLOKOSA-N 1 0 292.335 1.475 20 10 CDCDRO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000038052028 174063601 /nfs/dbraw/zinc/06/36/01/174063601.db2.gz ZPKWKQVOKTUZAY-GFCCVEGCSA-N 1 0 281.377 1.146 20 10 CDCDRO CN(C(=O)c1cccc(O)c1O)[C@H]1CCC[N@H+](C)C1 ZINC000126385377 260349862 /nfs/dbraw/zinc/34/98/62/260349862.db2.gz ICGNMHWYTDXVHZ-JTQLQIEISA-N 1 0 264.325 1.264 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000155025012 261097227 /nfs/dbraw/zinc/09/72/27/261097227.db2.gz FWKVNFGKZGITTR-GFCCVEGCSA-N 1 0 278.352 1.488 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc(F)ccc1O ZINC000186178693 262083592 /nfs/dbraw/zinc/08/35/92/262083592.db2.gz WKWJYJPCVAVJCC-TVQRCGJNSA-N 1 0 255.289 1.333 20 10 CDCDRO CC(C)NC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000054174154 262259461 /nfs/dbraw/zinc/25/94/61/262259461.db2.gz NADUQOQQHPFPDU-UHFFFAOYSA-N 1 0 262.353 1.626 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186223703 262312101 /nfs/dbraw/zinc/31/21/01/262312101.db2.gz YBNBQFVSWBKSKZ-SNVBAGLBSA-N 1 0 280.368 1.824 20 10 CDCDRO COCC1(O)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000271192162 262994395 /nfs/dbraw/zinc/99/43/95/262994395.db2.gz PVGJJUAZFNLMRP-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000276815595 263038131 /nfs/dbraw/zinc/03/81/31/263038131.db2.gz OPWMEWRFLZIYOK-CYBMUJFWSA-N 1 0 278.327 1.728 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1OC ZINC000377192947 268054483 /nfs/dbraw/zinc/05/44/83/268054483.db2.gz MUNFHCPWVBFJBS-JTQLQIEISA-N 1 0 294.351 1.107 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669250 281352483 /nfs/dbraw/zinc/35/24/83/281352483.db2.gz SWYPVTIKUCIEJT-IYBDPMFKSA-N 1 0 295.379 1.214 20 10 CDCDRO CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1O ZINC000183342804 327760107 /nfs/dbraw/zinc/76/01/07/327760107.db2.gz NTDHQTZFHUAMRP-ZDUSSCGKSA-N 1 0 278.352 1.292 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[NH2+]C1CC1 ZINC000563411727 328064506 /nfs/dbraw/zinc/06/45/06/328064506.db2.gz JQTXWKUHFZUDIE-UHFFFAOYSA-N 1 0 289.379 1.620 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CCO)C(C)C)c1 ZINC000224869572 329244957 /nfs/dbraw/zinc/24/49/57/329244957.db2.gz YNZCEWSERDBXSR-CYBMUJFWSA-N 1 0 253.342 1.897 20 10 CDCDRO CC(C)NC(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226584379 329261583 /nfs/dbraw/zinc/26/15/83/329261583.db2.gz LREHNBIFVXVLBS-UHFFFAOYSA-N 1 0 254.305 1.536 20 10 CDCDRO Cc1cccc(C[NH2+]CCCS(C)(=O)=O)c1O ZINC000124801436 329574276 /nfs/dbraw/zinc/57/42/76/329574276.db2.gz DSPDYNRHDQVAKS-UHFFFAOYSA-N 1 0 257.355 1.225 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000571687975 329900390 /nfs/dbraw/zinc/90/03/90/329900390.db2.gz LJFOQEBFOJWKGR-INIZCTEOSA-N 1 0 289.379 1.478 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000262591134 330022478 /nfs/dbraw/zinc/02/24/78/330022478.db2.gz CKPCBRPJCOAPBY-OAHLLOKOSA-N 1 0 275.396 1.835 20 10 CDCDRO COCCn1c(C)c(C)c2cc(C(=O)NCC[NH3+])ccc21 ZINC000514795224 330465470 /nfs/dbraw/zinc/46/54/70/330465470.db2.gz ZPLBSROSKMGHOL-UHFFFAOYSA-N 1 0 289.379 1.593 20 10 CDCDRO CCOc1cccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000219798656 333157234 /nfs/dbraw/zinc/15/72/34/333157234.db2.gz NELGHHONUKCDRO-GXTWGEPZSA-N 1 0 276.380 1.975 20 10 CDCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236872921 520244660 /nfs/dbraw/zinc/24/46/60/520244660.db2.gz DSMOBXVOUPFZIQ-AWEZNQCLSA-N 1 0 275.396 1.612 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H](CO)COC)c(O)c1 ZINC000279816570 520370811 /nfs/dbraw/zinc/37/08/11/520370811.db2.gz PCEYKWXHTHFVPY-LBPRGKRZSA-N 1 0 269.341 1.278 20 10 CDCDRO CCC[N@H+](CC(=O)NC(=O)NC)Cc1ccccc1O ZINC000299627023 521543017 /nfs/dbraw/zinc/54/30/17/521543017.db2.gz KNYWCNCJPOQLQL-UHFFFAOYSA-N 1 0 279.340 1.060 20 10 CDCDRO CCNC(=O)C1(C[NH2+]Cc2cccc(OC)c2O)CCC1 ZINC000277397131 521733393 /nfs/dbraw/zinc/73/33/93/521733393.db2.gz KFJAZAFZCDCFSX-UHFFFAOYSA-N 1 0 292.379 1.797 20 10 CDCDRO C[NH+](C)C[C@@](C)(O)CNCc1c(O)cccc1Cl ZINC000131444164 521855495 /nfs/dbraw/zinc/85/54/95/521855495.db2.gz PAHABKWAIUXAIW-ZDUSSCGKSA-N 1 0 272.776 1.448 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1F ZINC000264982293 522212900 /nfs/dbraw/zinc/21/29/00/522212900.db2.gz UWVNMMUZJMFCMU-NSHDSACASA-N 1 0 265.332 1.212 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCCO1 ZINC000278555226 522752407 /nfs/dbraw/zinc/75/24/07/522752407.db2.gz BVRWNMUNRTZABO-GXTWGEPZSA-N 1 0 251.326 1.676 20 10 CDCDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000119550099 522793532 /nfs/dbraw/zinc/79/35/32/522793532.db2.gz LCSUHZCSLJGHHY-UHFFFAOYSA-N 1 0 263.337 1.910 20 10 CDCDRO C[N@H+]1CC=C(CNC(=O)c2cccc(O)c2O)CC1 ZINC000279797742 523747940 /nfs/dbraw/zinc/74/79/40/523747940.db2.gz JHUCJLQJRPJZFX-UHFFFAOYSA-N 1 0 262.309 1.090 20 10 CDCDRO COCCOCCOCC[N@H+](C)Cc1ccccc1O ZINC000276232598 524011659 /nfs/dbraw/zinc/01/16/59/524011659.db2.gz SAOHWCSLLGBHNE-UHFFFAOYSA-N 1 0 283.368 1.504 20 10 CDCDRO C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC000278585664 524016149 /nfs/dbraw/zinc/01/61/49/524016149.db2.gz HPPDLUWXGWWAKS-TXEJJXNPSA-N 1 0 250.317 1.525 20 10 CDCDRO C[NH+](C)C(C)(C)CNC(=O)c1c(F)ccc(O)c1O ZINC000276491544 524033367 /nfs/dbraw/zinc/03/33/67/524033367.db2.gz ARBBXYWGXVPBEU-UHFFFAOYSA-N 1 0 270.304 1.307 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@](F)(CO)C2)c1O ZINC000289962606 524391819 /nfs/dbraw/zinc/39/18/19/524391819.db2.gz YOLQSJUACIZOJA-AWEZNQCLSA-N 1 0 253.317 1.997 20 10 CDCDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037782715 524599653 /nfs/dbraw/zinc/59/96/53/524599653.db2.gz KLCVPDAMZUTYBS-LBPRGKRZSA-N 1 0 274.364 1.722 20 10 CDCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000290007868 525010123 /nfs/dbraw/zinc/01/01/23/525010123.db2.gz SDKMEUVYWMTVBF-DGCLKSJQSA-N 1 0 293.386 1.896 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@]2(CCOC2)O1 ZINC000280321976 525016875 /nfs/dbraw/zinc/01/68/75/525016875.db2.gz QKIZMKUOZHDVNU-DOMZBBRYSA-N 1 0 263.337 1.772 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289803334 525347068 /nfs/dbraw/zinc/34/70/68/525347068.db2.gz SMZBJAYMUGCREN-GOEBONIOSA-N 1 0 290.407 1.996 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccccc1O ZINC000280923877 525377557 /nfs/dbraw/zinc/37/75/57/525377557.db2.gz RHGLFDDILWXPAQ-AVGNSLFASA-N 1 0 265.353 1.688 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1O ZINC000131142011 525916915 /nfs/dbraw/zinc/91/69/15/525916915.db2.gz LILNWZSEKXJRPI-MGNBDDOMSA-N 1 0 271.382 1.600 20 10 CDCDRO CC[NH+]1CCC(CNC(=O)NCc2ccccc2O)CC1 ZINC000726251006 574494706 /nfs/dbraw/zinc/49/47/06/574494706.db2.gz OJTKOUBMRSHOGQ-UHFFFAOYSA-N 1 0 291.395 1.923 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000730106994 574850873 /nfs/dbraw/zinc/85/08/73/574850873.db2.gz XBAFKIPSQXDREB-UHFFFAOYSA-N 1 0 281.375 1.850 20 10 CDCDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C1=CC(=O)CS1 ZINC000765253374 576002160 /nfs/dbraw/zinc/00/21/60/576002160.db2.gz RFDOHBQNHZZWTC-NSHDSACASA-N 1 0 298.408 1.420 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000765267593 576003180 /nfs/dbraw/zinc/00/31/80/576003180.db2.gz OXEMJAGDJDFNQS-SNVBAGLBSA-N 1 0 285.365 1.068 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000765267592 576003307 /nfs/dbraw/zinc/00/33/07/576003307.db2.gz OXEMJAGDJDFNQS-JTQLQIEISA-N 1 0 285.365 1.068 20 10 CDCDRO COc1cccc(O)c1CN1CC[NH+](C(C)C)CC1 ZINC000768241596 576266716 /nfs/dbraw/zinc/26/67/16/576266716.db2.gz WXIPJJBFHTVCDX-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCCOC1 ZINC000768453587 576285651 /nfs/dbraw/zinc/28/56/51/576285651.db2.gz ZCLPKCMGFKVOBJ-NHYWBVRUSA-N 1 0 293.363 1.676 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCCOC1 ZINC000768453586 576285698 /nfs/dbraw/zinc/28/56/98/576285698.db2.gz ZCLPKCMGFKVOBJ-IAQYHMDHSA-N 1 0 293.363 1.676 20 10 CDCDRO COc1cc(C[N@H+](C)[C@H]2CCNC2=O)c(O)cc1C ZINC000768464591 576287239 /nfs/dbraw/zinc/28/72/39/576287239.db2.gz CLXCERXVVKPBPN-NSHDSACASA-N 1 0 264.325 1.030 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCSC1 ZINC000768466318 576288100 /nfs/dbraw/zinc/28/81/00/576288100.db2.gz YSXVPUUAGYEUKC-GXFFZTMASA-N 1 0 281.377 1.755 20 10 CDCDRO CCC[N@H+](CC(=O)N(C)C)Cc1c(O)cccc1OC ZINC000768997118 576321336 /nfs/dbraw/zinc/32/13/36/576321336.db2.gz CAMVBNKGFBGBFG-UHFFFAOYSA-N 1 0 280.368 1.701 20 10 CDCDRO COc1cccc(O)c1C[N@H+](CCO)CC1CC1 ZINC000769110155 576330795 /nfs/dbraw/zinc/33/07/95/576330795.db2.gz ARNSJKXCSBYFEK-UHFFFAOYSA-N 1 0 251.326 1.605 20 10 CDCDRO C[N@H+](Cc1cn[nH]c1)Cc1cc2c(cc1O)OCO2 ZINC000769427400 576353501 /nfs/dbraw/zinc/35/35/01/576353501.db2.gz YOMWGUMGPNRAOQ-UHFFFAOYSA-N 1 0 261.281 1.476 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769445048 576354413 /nfs/dbraw/zinc/35/44/13/576354413.db2.gz CXJCSBDTFJSTBE-CQSZACIVSA-N 1 0 294.370 1.883 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000761222489 576560982 /nfs/dbraw/zinc/56/09/82/576560982.db2.gz JMTCSJRTPRTJQD-KGLIPLIRSA-N 1 0 265.353 1.984 20 10 CDCDRO Cn1cc([C@@H](O)C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000742376264 576599134 /nfs/dbraw/zinc/59/91/34/576599134.db2.gz OSEKARTUEQPJTL-ZDUSSCGKSA-N 1 0 281.743 1.602 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1O ZINC000762786904 576671627 /nfs/dbraw/zinc/67/16/27/576671627.db2.gz LOTUVXLAHPINMI-YGRLFVJLSA-N 1 0 284.787 1.763 20 10 CDCDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C1=CC(=O)CS1 ZINC000748322490 576905500 /nfs/dbraw/zinc/90/55/00/576905500.db2.gz YWCDEHSTSBXYTP-GFCCVEGCSA-N 1 0 298.408 1.637 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Cl)ccc1O ZINC000756554889 576995447 /nfs/dbraw/zinc/99/54/47/576995447.db2.gz JVKLLICYMFTDSO-ONGXEEELSA-N 1 0 272.776 1.619 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCOC2)c2c1c(F)ccc2O ZINC000756769824 577003596 /nfs/dbraw/zinc/00/35/96/577003596.db2.gz NYYBHNQAKHRFCO-OSQNNJELSA-N 1 0 281.327 1.821 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)N[C@H](C)c1ccccc1O ZINC000892043599 617437323 /nfs/dbraw/zinc/43/73/23/617437323.db2.gz DOMSKTPLNAUXSJ-NXEZZACHSA-N 1 0 251.330 1.347 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC(C)(C)[NH3+])c1 ZINC000892860618 617835643 /nfs/dbraw/zinc/83/56/43/617835643.db2.gz JRWWHSLBCKDNEQ-JTQLQIEISA-N 1 0 295.383 1.888 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCOC[C@H]1C ZINC000840937480 617612843 /nfs/dbraw/zinc/61/28/43/617612843.db2.gz UWBUQNIJHYUJOZ-OAHLLOKOSA-N 1 0 291.439 1.871 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1O ZINC000892266614 617613685 /nfs/dbraw/zinc/61/36/85/617613685.db2.gz CYVJZWLSGVLNJG-SMDDNHRTSA-N 1 0 289.379 1.895 20 10 CDCDRO O=C(NC[C@H]1CCC[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000891978622 617927756 /nfs/dbraw/zinc/92/77/56/617927756.db2.gz FLNUWJPYIFJSEE-NSHDSACASA-N 1 0 275.352 1.417 20 10 CDCDRO COc1ccc(C[NH2+]CCOC(C)C)c(O)c1OC ZINC000893565117 618131346 /nfs/dbraw/zinc/13/13/46/618131346.db2.gz KEHIAUAZFCYYJR-UHFFFAOYSA-N 1 0 269.341 1.924 20 10 CDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000893947012 618213100 /nfs/dbraw/zinc/21/31/00/618213100.db2.gz GUPGDTFFZKAWJG-ZDUSSCGKSA-N 1 0 292.379 1.810 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000795583999 618390293 /nfs/dbraw/zinc/39/02/93/618390293.db2.gz VDYNZBZUZVJZQW-NWDGAFQWSA-N 1 0 281.352 1.135 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)c1O ZINC000894287698 618488883 /nfs/dbraw/zinc/48/88/83/618488883.db2.gz JQYVXBVYHQNCCR-DGCLKSJQSA-N 1 0 292.379 1.843 20 10 CDCDRO CC(C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000034822964 618536710 /nfs/dbraw/zinc/53/67/10/618536710.db2.gz LAQBDXKCWINPNW-CQSZACIVSA-N 1 0 275.396 1.886 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1([S@](C)=O)CC1 ZINC000877499035 618629015 /nfs/dbraw/zinc/62/90/15/618629015.db2.gz KWKZWEGWTGGHAX-KRWDZBQOSA-N 1 0 253.367 1.701 20 10 CDCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000841065082 618679212 /nfs/dbraw/zinc/67/92/12/618679212.db2.gz MNEGGOUWXKDVLD-ONGXEEELSA-N 1 0 264.325 1.351 20 10 CDCDRO COC[C@]1(CNCc2cc(OC)ccc2O)CCC[NH2+]1 ZINC000841067085 618680213 /nfs/dbraw/zinc/68/02/13/618680213.db2.gz JRTGKJQOPLDUDJ-OAHLLOKOSA-N 1 0 280.368 1.259 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000894432253 618881512 /nfs/dbraw/zinc/88/15/12/618881512.db2.gz XQXBCDDYAPJIKY-VXGBXAGGSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000894541532 618950885 /nfs/dbraw/zinc/95/08/85/618950885.db2.gz RRCHUNLQPGKVHJ-YPMHNXCESA-N 1 0 265.353 1.960 20 10 CDCDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)OC ZINC000894552295 618961115 /nfs/dbraw/zinc/96/11/15/618961115.db2.gz HKVVQMIBWZMEPO-NSHDSACASA-N 1 0 269.341 1.924 20 10 CDCDRO COc1ccc(C[NH2+]C(C)(C)CN(C)C)c(O)c1OC ZINC000894811976 619070863 /nfs/dbraw/zinc/07/08/63/619070863.db2.gz WIAQEMSHCHCLMV-UHFFFAOYSA-N 1 0 282.384 1.839 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)c(O)c1OC ZINC000895124278 619319472 /nfs/dbraw/zinc/31/94/72/619319472.db2.gz NQTYGQKVKUOWKI-MWLCHTKSSA-N 1 0 267.325 1.676 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000895564181 619728547 /nfs/dbraw/zinc/72/85/47/619728547.db2.gz AFZQJPHWWNTKGR-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c(O)c1 ZINC000895749391 619821546 /nfs/dbraw/zinc/82/15/46/619821546.db2.gz QSKIHHPCBGPFBR-UONOGXRCSA-N 1 0 265.353 1.720 20 10 CDCDRO O=C1NCCN1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000895814922 619858546 /nfs/dbraw/zinc/85/85/46/619858546.db2.gz TXBLNDPRNMCJSO-UHFFFAOYSA-N 1 0 285.347 1.660 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CC(COC)C2)c1 ZINC000895971012 619928524 /nfs/dbraw/zinc/92/85/24/619928524.db2.gz JNAWRHYSVMZECS-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2COC[C@@H]2C)c(O)c1OC ZINC000896733154 620216485 /nfs/dbraw/zinc/21/64/85/620216485.db2.gz NQDHMSUACGKVEQ-ONGXEEELSA-N 1 0 267.325 1.534 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCCc1ccc(N)cc1 ZINC000841905680 620269192 /nfs/dbraw/zinc/26/91/92/620269192.db2.gz HLIWCPPNBJOJNT-NSHDSACASA-N 1 0 264.373 1.061 20 10 CDCDRO CCOCCOCC[NH2+]Cc1cc(F)ccc1O ZINC000897204274 620416938 /nfs/dbraw/zinc/41/69/38/620416938.db2.gz MSPOCKWTVHNNJH-UHFFFAOYSA-N 1 0 257.305 1.674 20 10 CDCDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCOC2)N(C)C)cc1 ZINC000898451297 621741905 /nfs/dbraw/zinc/74/19/05/621741905.db2.gz WXWDXCPBXXBMKD-ZBFHGGJFSA-N 1 0 277.412 1.734 20 10 CDCDRO CC[C@H](CO)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000929820374 631444908 /nfs/dbraw/zinc/44/49/08/631444908.db2.gz CVLUVJIVEMBPIE-GFCCVEGCSA-N 1 0 282.359 1.727 20 10 CDCDRO COc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c(O)cc1C ZINC000788046741 631828817 /nfs/dbraw/zinc/82/88/17/631828817.db2.gz JQXJUKIYMPUZAI-NSHDSACASA-N 1 0 278.352 1.420 20 10 CDCDRO [NH3+]CCc1ccccc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170323017 1162337070 /nfs/dbraw/zinc/33/70/70/1162337070.db2.gz TWJMWXGYSDWXPN-UHFFFAOYSA-N 1 0 286.331 1.894 20 10 CDCDRO Oc1ccc(O)c(C[NH+]2CC3(CN(Cc4ccc[nH]4)C3)C2)c1 ZINC001275419184 1166670711 /nfs/dbraw/zinc/67/07/11/1166670711.db2.gz RZEIVUKCBWHDTB-UHFFFAOYSA-N 1 0 299.374 1.744 20 10 CDCDRO COCC(COC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000388383094 726986352 /nfs/dbraw/zinc/98/63/52/726986352.db2.gz UTBUQZLFLASHAM-SNVBAGLBSA-N 1 0 269.341 1.713 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096187 727114137 /nfs/dbraw/zinc/11/41/37/727114137.db2.gz YREICVPBIFHDLJ-OAHLLOKOSA-N 1 0 262.353 1.160 20 10 CDCDRO CCC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000877503630 726008976 /nfs/dbraw/zinc/00/89/76/726008976.db2.gz RRAPUHNURDWMKT-CYBMUJFWSA-N 1 0 290.363 1.670 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Cl)ccc1O ZINC000817977396 726010264 /nfs/dbraw/zinc/01/02/64/726010264.db2.gz JFVZRMDXNUDBML-XDRUHAPNSA-N 1 0 252.745 1.914 20 10 CDCDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1O ZINC000312049300 726010953 /nfs/dbraw/zinc/01/09/53/726010953.db2.gz WMBICONETCZDRN-KOLCDFICSA-N 1 0 264.325 1.262 20 10 CDCDRO Cc1ccc(C[NH2+]CCN(C)CC(F)F)c(O)c1 ZINC000877662496 726013500 /nfs/dbraw/zinc/01/35/00/726013500.db2.gz TXOXVJKEVCAWRN-UHFFFAOYSA-N 1 0 258.312 1.987 20 10 CDCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]CCc1ccc(N)cc1 ZINC000817958250 726018194 /nfs/dbraw/zinc/01/81/94/726018194.db2.gz UVWWUYAWMSYKMN-WFASDCNBSA-N 1 0 263.385 1.168 20 10 CDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)Cn1cccn1 ZINC000819094200 726018467 /nfs/dbraw/zinc/01/84/67/726018467.db2.gz BMTBKHRXHBMJTH-KRWDZBQOSA-N 1 0 298.390 1.410 20 10 CDCDRO Nc1ccc(CCNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000841934927 726019626 /nfs/dbraw/zinc/01/96/26/726019626.db2.gz CXOCTLJCZQNDIU-CYBMUJFWSA-N 1 0 276.384 1.110 20 10 CDCDRO CCN1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1=O ZINC000708695614 726022011 /nfs/dbraw/zinc/02/20/11/726022011.db2.gz KPMPLTUHUIIPPW-ZWNOBZJWSA-N 1 0 278.352 1.672 20 10 CDCDRO OC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000929635838 726041066 /nfs/dbraw/zinc/04/10/66/726041066.db2.gz PYEVTTVNHVWLMK-AWEZNQCLSA-N 1 0 265.353 1.490 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000846960189 726041135 /nfs/dbraw/zinc/04/11/35/726041135.db2.gz MVFOSGNPWAMLRL-CHWSQXEVSA-N 1 0 281.327 1.983 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000851682011 726052254 /nfs/dbraw/zinc/05/22/54/726052254.db2.gz SOCFXNKPSMWVFP-GFCCVEGCSA-N 1 0 278.400 1.502 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000848409949 726054624 /nfs/dbraw/zinc/05/46/24/726054624.db2.gz BNRYBCJSDUACGE-LBPRGKRZSA-N 1 0 261.369 1.511 20 10 CDCDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817896704 726055530 /nfs/dbraw/zinc/05/55/30/726055530.db2.gz QBZDZQXVJHIJGW-GJZGRUSLSA-N 1 0 291.395 1.136 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000834903585 726118607 /nfs/dbraw/zinc/11/86/07/726118607.db2.gz IZEMHGFDPKCZDD-GAJTVXKRSA-N 1 0 269.316 1.986 20 10 CDCDRO C[C@@H](C[NH2+]CCCSc1nccs1)S(C)(=O)=O ZINC000819062594 726169488 /nfs/dbraw/zinc/16/94/88/726169488.db2.gz GHQZDVBBICPLIE-VIFPVBQESA-N 1 0 294.467 1.648 20 10 CDCDRO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000827634625 726217275 /nfs/dbraw/zinc/21/72/75/726217275.db2.gz WMXJYGDVORLXRP-LBPRGKRZSA-N 1 0 292.354 1.976 20 10 CDCDRO C[C@H](O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877046984 726249550 /nfs/dbraw/zinc/24/95/50/726249550.db2.gz WCTJLFNZFZYSLD-ZDUSSCGKSA-N 1 0 278.396 1.508 20 10 CDCDRO C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817895840 726252224 /nfs/dbraw/zinc/25/22/24/726252224.db2.gz WVIWSHHLLDLPOF-YOEHRIQHSA-N 1 0 289.423 1.753 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000840885478 726254746 /nfs/dbraw/zinc/25/47/46/726254746.db2.gz XAEJPBXZXRAVRI-SNVBAGLBSA-N 1 0 299.392 1.629 20 10 CDCDRO CN1CC[C@](O)(C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000705720937 726265290 /nfs/dbraw/zinc/26/52/90/726265290.db2.gz ZEPNVOWINIKEHR-DOMZBBRYSA-N 1 0 262.353 1.036 20 10 CDCDRO COC[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886588772 726271321 /nfs/dbraw/zinc/27/13/21/726271321.db2.gz YONMSRWVZVNHLX-NXEZZACHSA-N 1 0 257.305 1.843 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)c(O)c1 ZINC000923008752 726279916 /nfs/dbraw/zinc/27/99/16/726279916.db2.gz XONJFNWDZPSSIS-UMSPYCQHSA-N 1 0 251.326 1.651 20 10 CDCDRO Nc1ccc(CC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000846699150 726285278 /nfs/dbraw/zinc/28/52/78/726285278.db2.gz HCKFXITWJXJRJU-UHFFFAOYSA-N 1 0 261.369 1.317 20 10 CDCDRO CCCCOC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996969 726293341 /nfs/dbraw/zinc/29/33/41/726293341.db2.gz OBTCJJRMJOFOAN-OAHLLOKOSA-N 1 0 279.380 1.889 20 10 CDCDRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]2N1 ZINC000827141158 726335073 /nfs/dbraw/zinc/33/50/73/726335073.db2.gz PQNNGGNJTLSZJH-AAEUAGOBSA-N 1 0 260.337 1.493 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])CC2CC2)c1 ZINC000884309987 726344735 /nfs/dbraw/zinc/34/47/35/726344735.db2.gz LMSSOIXJSWMNHM-NOZJJQNGSA-N 1 0 278.352 1.705 20 10 CDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CC12COC2 ZINC000824490038 726357439 /nfs/dbraw/zinc/35/74/39/726357439.db2.gz SPNCBTOKMOCZJR-ZDUSSCGKSA-N 1 0 291.347 1.404 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCC1(CO)CC1 ZINC000825040987 726381193 /nfs/dbraw/zinc/38/11/93/726381193.db2.gz XKYBWNYTURVCTA-UHFFFAOYSA-N 1 0 251.326 1.653 20 10 CDCDRO COC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000048398951 726406591 /nfs/dbraw/zinc/40/65/91/726406591.db2.gz YJFQIAQYFDJTNK-UHFFFAOYSA-N 1 0 265.309 1.732 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000846145094 726805959 /nfs/dbraw/zinc/80/59/59/726805959.db2.gz KHADGFDDTNDEBY-JQWIXIFHSA-N 1 0 278.352 1.672 20 10 CDCDRO COCCOCC[N@H+](C)Cc1c(O)cccc1OC ZINC000809789924 726808535 /nfs/dbraw/zinc/80/85/35/726808535.db2.gz NSKYLABTCKZZTN-UHFFFAOYSA-N 1 0 269.341 1.496 20 10 CDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886253583 726830944 /nfs/dbraw/zinc/83/09/44/726830944.db2.gz AVZXIGRKEHGTDN-SCNFRKTESA-N 1 0 276.380 1.240 20 10 CDCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000841922989 726847324 /nfs/dbraw/zinc/84/73/24/726847324.db2.gz WLTZVZSFTIBCKQ-AWEZNQCLSA-N 1 0 276.384 1.253 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C[NH3+])OC ZINC000227364687 726848120 /nfs/dbraw/zinc/84/81/20/726848120.db2.gz QVYHDIWJIPUKIR-AWEZNQCLSA-N 1 0 279.384 1.075 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCC(=O)NC1CC1 ZINC000876935070 726852914 /nfs/dbraw/zinc/85/29/14/726852914.db2.gz NFYJONTVMXZOJO-UHFFFAOYSA-N 1 0 262.353 1.849 20 10 CDCDRO CN(CCC[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709657 726863573 /nfs/dbraw/zinc/86/35/73/726863573.db2.gz JWSDCPDPHPACSS-UHFFFAOYSA-N 1 0 290.411 1.777 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1 ZINC000130956980 726864944 /nfs/dbraw/zinc/86/49/44/726864944.db2.gz PIBQNJTWKWXFQG-YPMLDQLKSA-N 1 0 271.382 1.600 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCNC1=O ZINC000840942414 726878740 /nfs/dbraw/zinc/87/87/40/726878740.db2.gz KHTJVPRVQOUTLC-OAHLLOKOSA-N 1 0 275.396 1.771 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CCO)c1O ZINC000779201468 726885826 /nfs/dbraw/zinc/88/58/26/726885826.db2.gz FOJVBLVRXGVSQZ-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[C@@H]([NH3+])C3CC3)ccc21 ZINC000827913621 726906558 /nfs/dbraw/zinc/90/65/58/726906558.db2.gz DUTLTWWUTFEVEW-OAHLLOKOSA-N 1 0 287.407 1.813 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1O ZINC000877525926 726923517 /nfs/dbraw/zinc/92/35/17/726923517.db2.gz MXZFAMNCCOFFTG-WCQYABFASA-N 1 0 292.379 1.938 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000841829319 726958008 /nfs/dbraw/zinc/95/80/08/726958008.db2.gz ZYLFJOFFBINMMR-CYBMUJFWSA-N 1 0 290.411 1.551 20 10 CDCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886525002 727034464 /nfs/dbraw/zinc/03/44/64/727034464.db2.gz VOMAWVBXFMFOGA-CHWSQXEVSA-N 1 0 295.402 1.818 20 10 CDCDRO COc1ccc(O)c(C[N@H+](CCO)C2CCN(C)CC2)c1 ZINC000305772715 727040499 /nfs/dbraw/zinc/04/04/99/727040499.db2.gz LHJMDLUDDAPBMR-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000817412058 727048342 /nfs/dbraw/zinc/04/83/42/727048342.db2.gz BXLFPCPAWFDCKW-CYBMUJFWSA-N 1 0 295.379 1.763 20 10 CDCDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000171842867 727077503 /nfs/dbraw/zinc/07/75/03/727077503.db2.gz QQBHAHLKVXMVOF-AWEZNQCLSA-N 1 0 267.325 1.618 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@](CO)(COC)C2)c1O ZINC000848915563 727092861 /nfs/dbraw/zinc/09/28/61/727092861.db2.gz XSMWGOMVENTHMF-INIZCTEOSA-N 1 0 279.380 1.785 20 10 CDCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ncc[nH]1 ZINC000817941844 727099274 /nfs/dbraw/zinc/09/92/74/727099274.db2.gz LCKYBLWHGQPJNW-BXUZGUMPSA-N 1 0 273.384 1.826 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000877613335 727107062 /nfs/dbraw/zinc/10/70/62/727107062.db2.gz FMVLDLPMIUBCHY-GFCCVEGCSA-N 1 0 274.364 1.801 20 10 CDCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCCSc1nccs1 ZINC000925101473 727172973 /nfs/dbraw/zinc/17/29/73/727172973.db2.gz IADOQXBVTNAFGY-VIFPVBQESA-N 1 0 285.438 1.740 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000877460609 727202613 /nfs/dbraw/zinc/20/26/13/727202613.db2.gz RMINJOUKHVYLMS-AWEZNQCLSA-N 1 0 292.423 1.978 20 10 CDCDRO C[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000853244406 727206521 /nfs/dbraw/zinc/20/65/21/727206521.db2.gz LMHZTTMQSMCQPB-CYBMUJFWSA-N 1 0 292.427 1.892 20 10 CDCDRO COc1ccc(N2CC[C@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000849349527 727250126 /nfs/dbraw/zinc/25/01/26/727250126.db2.gz CCJCSCGVXLPBOG-KGLIPLIRSA-N 1 0 275.396 1.616 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000821064757 727273290 /nfs/dbraw/zinc/27/32/90/727273290.db2.gz GYFNZJQSOCDVAG-VHSXEESVSA-N 1 0 266.341 1.528 20 10 CDCDRO C[C@H](O)[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929294517 727304964 /nfs/dbraw/zinc/30/49/64/727304964.db2.gz DYUZOSXZCFFSOM-LRDDRELGSA-N 1 0 278.396 1.459 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000818431362 727320341 /nfs/dbraw/zinc/32/03/41/727320341.db2.gz JVKRIVWQBQNGFF-DLBZAZTESA-N 1 0 299.422 1.413 20 10 CDCDRO COc1cc(C[NH+](CCO)CCO)c(O)c(C(C)(C)C)c1 ZINC000862429110 727327907 /nfs/dbraw/zinc/32/79/07/727327907.db2.gz ASUDFQGVKMMUKS-UHFFFAOYSA-N 1 0 297.395 1.485 20 10 CDCDRO C[NH2+]CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725984 727337887 /nfs/dbraw/zinc/33/78/87/727337887.db2.gz RAZAZJJVXCDXGR-CYBMUJFWSA-N 1 0 291.395 1.310 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000133709995 727343722 /nfs/dbraw/zinc/34/37/22/727343722.db2.gz SWHKACLGBRNIDO-OLZOCXBDSA-N 1 0 291.395 1.327 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(OC)ccc1O ZINC000114542933 727364007 /nfs/dbraw/zinc/36/40/07/727364007.db2.gz UEVUOMBSQDJCJD-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C[C@@H](C)[NH3+])CC2)cc1 ZINC000037607257 727366645 /nfs/dbraw/zinc/36/66/45/727366645.db2.gz NKPVLDLQCYZYLE-GFCCVEGCSA-N 1 0 277.368 1.081 20 10 CDCDRO COc1ccc(O)c(CN2CCC([NH+](C)C)CC2)c1 ZINC000132206610 727396364 /nfs/dbraw/zinc/39/63/64/727396364.db2.gz FFBPXGSHRDXHAL-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)c1O ZINC000848900025 727398651 /nfs/dbraw/zinc/39/86/51/727398651.db2.gz WZDKYGALTNGOPY-ZIAGYGMSSA-N 1 0 276.380 1.959 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCN(C)C2=O)cc1OC ZINC000776231564 727402058 /nfs/dbraw/zinc/40/20/58/727402058.db2.gz JSCFFWQBXLRBRY-LLVKDONJSA-N 1 0 294.351 1.120 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC000824892965 727414498 /nfs/dbraw/zinc/41/44/98/727414498.db2.gz HMPFUNFZHRXYGV-WCQYABFASA-N 1 0 262.353 1.537 20 10 CDCDRO CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1ccccc1O ZINC000775415657 727423965 /nfs/dbraw/zinc/42/39/65/727423965.db2.gz UHZCLICPEIQKFT-LBPRGKRZSA-N 1 0 286.397 1.372 20 10 CDCDRO COCCN(C[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000843359032 727446737 /nfs/dbraw/zinc/44/67/37/727446737.db2.gz DPGOYFSDIVPWCF-LLVKDONJSA-N 1 0 268.357 1.504 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2COCCO2)cc1C ZINC000037998249 727456530 /nfs/dbraw/zinc/45/65/30/727456530.db2.gz ZOEYCTNLLNVENG-ZDUSSCGKSA-N 1 0 251.326 1.509 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000775023462 727461446 /nfs/dbraw/zinc/46/14/46/727461446.db2.gz KGUWMWCQNULRML-NSHDSACASA-N 1 0 296.323 1.560 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c(O)c1 ZINC000717355858 727849796 /nfs/dbraw/zinc/84/97/96/727849796.db2.gz XALNTWXVPWQRDB-VXGBXAGGSA-N 1 0 252.358 1.274 20 10 CDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000841831799 727854381 /nfs/dbraw/zinc/85/43/81/727854381.db2.gz GBIQEBBHSLQRIQ-AWEZNQCLSA-N 1 0 286.379 1.224 20 10 CDCDRO COCC[N@H+](Cc1ccc(C)cc1O)[C@H](C)C(N)=O ZINC000876695857 727887858 /nfs/dbraw/zinc/88/78/58/727887858.db2.gz JIQUAFKEAOKOEW-LLVKDONJSA-N 1 0 266.341 1.023 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@H](C)O1 ZINC000190206613 727892939 /nfs/dbraw/zinc/89/29/39/727892939.db2.gz TUXZBNYGCUEIED-JSGCOSHPSA-N 1 0 295.379 1.945 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2cccn2)c1 ZINC000049074699 727897834 /nfs/dbraw/zinc/89/78/34/727897834.db2.gz DSGJBHFLDVIZGB-LLVKDONJSA-N 1 0 261.325 1.948 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C2(C)C[NH2+]C2)cc1 ZINC000399156908 728029573 /nfs/dbraw/zinc/02/95/73/728029573.db2.gz BUQSSHWZFPRLNW-UHFFFAOYSA-N 1 0 261.369 1.321 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCCS(C)(=O)=O ZINC000877599171 728074997 /nfs/dbraw/zinc/07/49/97/728074997.db2.gz YQBSVAZDQIQDTF-UHFFFAOYSA-N 1 0 271.382 1.615 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CC(=O)N2CCCC2)c1O ZINC000874026356 728087577 /nfs/dbraw/zinc/08/75/77/728087577.db2.gz PIACXWOUVKNPOR-UHFFFAOYSA-N 1 0 292.379 1.763 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3cnccn3)cc2)CC1 ZINC000792687902 728093462 /nfs/dbraw/zinc/09/34/62/728093462.db2.gz HRAACMPRFQOBMA-UHFFFAOYSA-N 1 0 283.379 1.841 20 10 CDCDRO Cc1cc(C(=O)N(C)CC[NH3+])c(C)n1-c1ccccn1 ZINC000842509062 728171334 /nfs/dbraw/zinc/17/13/34/728171334.db2.gz GYRQGFCIJAJUPI-UHFFFAOYSA-N 1 0 272.352 1.520 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000846170307 728228507 /nfs/dbraw/zinc/22/85/07/728228507.db2.gz WRAMTCBTUZZEDJ-MVWJERBFSA-N 1 0 251.326 1.965 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000130298252 728305905 /nfs/dbraw/zinc/30/59/05/728305905.db2.gz YVVLSDCPWASEGF-CQSZACIVSA-N 1 0 291.395 1.090 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN(C)C[C@H]2CO)c1O ZINC000877643189 728340370 /nfs/dbraw/zinc/34/03/70/728340370.db2.gz BYLXFEZIVYNOHM-AWEZNQCLSA-N 1 0 264.369 1.063 20 10 CDCDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924902123 728349219 /nfs/dbraw/zinc/34/92/19/728349219.db2.gz XAIROYUHSWDFIQ-RISCZKNCSA-N 1 0 274.364 1.768 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CCO[C@@H](C)C2)c1O ZINC000848895605 728353027 /nfs/dbraw/zinc/35/30/27/728353027.db2.gz OOIHDSSKIFYSFO-ZDUSSCGKSA-N 1 0 278.396 1.765 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCS(=O)CC2)c1 ZINC000158010553 728366959 /nfs/dbraw/zinc/36/69/59/728366959.db2.gz PCRDIPZNCDFNHF-OZMOWAPCSA-N 1 0 283.393 1.963 20 10 CDCDRO CCOc1cccc(CN2CCC[C@H]([NH2+]C)C2)c1O ZINC000053201205 728373811 /nfs/dbraw/zinc/37/38/11/728373811.db2.gz FWUJBFTWIXRNTF-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO CCOCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071124117 728377352 /nfs/dbraw/zinc/37/73/52/728377352.db2.gz JVBIEXDLYZYNDU-UHFFFAOYSA-N 1 0 278.396 1.992 20 10 CDCDRO Cc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)c(O)c1 ZINC000876892700 1165934646 /nfs/dbraw/zinc/93/46/46/1165934646.db2.gz RUTVNRVEVBJUPQ-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000877560494 1166058101 /nfs/dbraw/zinc/05/81/01/1166058101.db2.gz SHVYNGYQZYUWMY-UHFFFAOYSA-N 1 0 258.325 1.986 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2c(O)ccc(F)c2F)CC[C@@H]1F ZINC001206200636 912568302 /nfs/dbraw/zinc/56/83/02/912568302.db2.gz SIRJQFNNCRJIML-GXSJLCMTSA-N 1 0 274.286 1.932 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@H]1CCC[N@@H+](C)C1 ZINC001234474775 913679618 /nfs/dbraw/zinc/67/96/18/913679618.db2.gz WXNQEDHKSNRDKA-JTQLQIEISA-N 1 0 265.309 1.773 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CCn2cccn2)cc1OC ZINC000160176831 893923653 /nfs/dbraw/zinc/92/36/53/893923653.db2.gz SMRCYTKNLBRRRY-UHFFFAOYSA-N 1 0 291.351 1.738 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069141380 895178209 /nfs/dbraw/zinc/17/82/09/895178209.db2.gz SDZDVCFVEXZGSS-GHMZBOCLSA-N 1 0 299.392 1.629 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1OC ZINC001140178476 895201847 /nfs/dbraw/zinc/20/18/47/895201847.db2.gz MKBULWCYYNFFBW-OKILXGFUSA-N 1 0 265.353 1.855 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CCN([C@H]3CCOC3)CC2)c1O ZINC001140178581 895202236 /nfs/dbraw/zinc/20/22/36/895202236.db2.gz PJPHHLPORLHUOQ-HNNXBMFYSA-N 1 0 290.407 1.916 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@H](C)O1 ZINC000249942078 902491324 /nfs/dbraw/zinc/49/13/24/902491324.db2.gz TUXZBNYGCUEIED-GXTWGEPZSA-N 1 0 295.379 1.945 20 10 CDCDRO C[n+]1cccc(NCCc2cc(O)c(O)cc2O)c1 ZINC001168013140 905548770 /nfs/dbraw/zinc/54/87/70/905548770.db2.gz FBLCXIRSKGOTSW-UHFFFAOYSA-O 1 0 261.301 1.283 20 10 CDCDRO COc1cc(O)c(CN2CC(C)([NH3+])C2)cc1Cl ZINC001204985162 905694729 /nfs/dbraw/zinc/69/47/29/905694729.db2.gz FTOSPFXPOOPWDH-UHFFFAOYSA-N 1 0 256.733 1.587 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CCO1 ZINC001168079532 906745442 /nfs/dbraw/zinc/74/54/42/906745442.db2.gz PSHHFUKKCFHFOH-GXSJLCMTSA-N 1 0 267.325 1.503 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000922284654 921468794 /nfs/dbraw/zinc/46/87/94/921468794.db2.gz SGXZPPGPKNVUFH-UHFFFAOYSA-N 1 0 273.336 1.717 20 10 CDCDRO O=C1CC[C@@H]2C[C@H]([NH2+]CCc3ccc(O)c(O)c3)CCN12 ZINC001172150288 911364653 /nfs/dbraw/zinc/36/46/53/911364653.db2.gz MNKWXUQERSAPCF-CHWSQXEVSA-N 1 0 290.363 1.383 20 10 CDCDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922641233 921722886 /nfs/dbraw/zinc/72/28/86/921722886.db2.gz YOYHXCXMGNPRJM-SUMWQHHRSA-N 1 0 290.407 1.772 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001173165381 912205199 /nfs/dbraw/zinc/20/51/99/912205199.db2.gz GMFVNYYYLJZBIZ-NURSFMCSSA-N 1 0 267.325 1.288 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)NCC[NH+](C)C)cc1 ZINC001180122149 916166837 /nfs/dbraw/zinc/16/68/37/916166837.db2.gz JGUPROJCHVLYBX-JXMROGBWSA-N 1 0 261.369 1.444 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c2ccccc2n1C ZINC001138252588 936501610 /nfs/dbraw/zinc/50/16/10/936501610.db2.gz MPIJXYARZZXGFD-CXAGYDPISA-N 1 0 288.391 1.662 20 10 CDCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499010 936543078 /nfs/dbraw/zinc/54/30/78/936543078.db2.gz SJRPJEPHLYPEJI-RHSMWYFYSA-N 1 0 290.407 1.868 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000832495804 936583427 /nfs/dbraw/zinc/58/34/27/936583427.db2.gz ICSQPHMLFXBVPB-GHMZBOCLSA-N 1 0 264.325 1.310 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140055983 936674522 /nfs/dbraw/zinc/67/45/22/936674522.db2.gz CNKNQYMRFCYQFL-ZDUSSCGKSA-N 1 0 289.310 1.975 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)N1 ZINC001140341832 936703526 /nfs/dbraw/zinc/70/35/26/936703526.db2.gz JJPARZKQCXCTMV-UHFFFAOYSA-N 1 0 295.770 1.693 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001140948154 936782440 /nfs/dbraw/zinc/78/24/40/936782440.db2.gz VWJLQJGIDZBZAP-GJZGRUSLSA-N 1 0 265.353 1.266 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(O)c1 ZINC001140951048 936783398 /nfs/dbraw/zinc/78/33/98/936783398.db2.gz WCRWZYGJFSSTGZ-UHFFFAOYSA-N 1 0 287.319 1.460 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c(O)c1 ZINC001140953617 936783719 /nfs/dbraw/zinc/78/37/19/936783719.db2.gz DUPKKJVQLYANJI-CQSZACIVSA-N 1 0 274.364 1.897 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031257 936795198 /nfs/dbraw/zinc/79/51/98/936795198.db2.gz AGWVFTMBSNUGDY-ZWNOBZJWSA-N 1 0 281.352 1.612 20 10 CDCDRO O=C1C[C@@H](C[NH2+]Cc2c(O)cccc2Br)CN1 ZINC000706881364 923111046 /nfs/dbraw/zinc/11/10/46/923111046.db2.gz RCQHHXWACNHZNM-QMMMGPOBSA-N 1 0 299.168 1.380 20 10 CDCDRO CN1CCOc2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](C)C4)ccc21 ZINC001141143657 936819724 /nfs/dbraw/zinc/81/97/24/936819724.db2.gz FGSFRIYQHFJQMW-GASCZTMLSA-N 1 0 287.407 1.794 20 10 CDCDRO CC1(C(N)=O)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159166 936822357 /nfs/dbraw/zinc/82/23/57/936822357.db2.gz AXWLBAHBZSEJDK-UHFFFAOYSA-N 1 0 264.325 1.185 20 10 CDCDRO Oc1ccc(O)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC001141158827 936822471 /nfs/dbraw/zinc/82/24/71/936822471.db2.gz OICDSRBGJYVELW-OAHLLOKOSA-N 1 0 292.379 1.394 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC([NH+]2CCCC2)C1 ZINC001142524777 937027191 /nfs/dbraw/zinc/02/71/91/937027191.db2.gz KBGCKKXJPSCYGI-UHFFFAOYSA-N 1 0 268.307 1.950 20 10 CDCDRO CCOc1ccc(O)c(CN(C)[C@H]2CC[NH2+]C2)c1 ZINC000843049757 937106917 /nfs/dbraw/zinc/10/69/17/937106917.db2.gz VQOKCJUESUCNHR-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCOCCF)cc1F ZINC000853091430 927947964 /nfs/dbraw/zinc/94/79/64/927947964.db2.gz HLGARDDHXVHZFW-UHFFFAOYSA-N 1 0 258.312 1.967 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000857062153 928657329 /nfs/dbraw/zinc/65/73/29/928657329.db2.gz YRVRYROPGWHQKS-RYUDHWBXSA-N 1 0 265.353 1.851 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCc2cncn2C)cc1F ZINC000857782757 928749498 /nfs/dbraw/zinc/74/94/98/928749498.db2.gz CNDQSFBPVCXCTF-UHFFFAOYSA-N 1 0 276.359 1.958 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1 ZINC000697580761 937283883 /nfs/dbraw/zinc/28/38/83/937283883.db2.gz WDTKMUQOOZPKDJ-GHMZBOCLSA-N 1 0 271.382 1.784 20 10 CDCDRO 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COC(=O)c1cccc(O)c1Nc1cc[nH+]cc1OC ZINC001211262992 940743412 /nfs/dbraw/zinc/74/34/12/940743412.db2.gz DKIGETOBNSNIJO-UHFFFAOYSA-N 1 0 274.276 1.748 20 10 CDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000316737793 941494069 /nfs/dbraw/zinc/49/40/69/941494069.db2.gz KIYAVPNOJVSGEM-KRWDZBQOSA-N 1 0 290.407 1.774 20 10 CDCDRO COc1ccc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(OC)c1 ZINC001276993896 941787894 /nfs/dbraw/zinc/78/78/94/941787894.db2.gz HWKZLALPPWWQSK-ZFWWWQNUSA-N 1 0 278.352 1.223 20 10 CDCDRO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1O ZINC001277442522 942579269 /nfs/dbraw/zinc/57/92/69/942579269.db2.gz WYKLWBFBUJYZDV-DOMZBBRYSA-N 1 0 260.337 1.445 20 10 CDCDRO Cc1cc(F)cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC001277519172 942890944 /nfs/dbraw/zinc/89/09/44/942890944.db2.gz NCVKNPCXQAMIQM-SMDDNHRTSA-N 1 0 264.344 1.976 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(OC)c(O)cc1O ZINC001231634127 942950049 /nfs/dbraw/zinc/95/00/49/942950049.db2.gz INOZSGDEXMFTTG-UHFFFAOYSA-N 1 0 285.340 1.201 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@@](C)(O)C2)c(O)cc1O ZINC001231635067 942950984 /nfs/dbraw/zinc/95/09/84/942950984.db2.gz VBZHUBRVQPPSHO-OAHLLOKOSA-N 1 0 281.352 1.843 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(O)cc1O ZINC001231636834 942952053 /nfs/dbraw/zinc/95/20/53/942952053.db2.gz AIYOWCLNXKXRRG-ONGXEEELSA-N 1 0 267.325 1.452 20 10 CDCDRO COc1cc(C[NH+]2CCC(C)(O)CC2)c(O)cc1O ZINC001231635414 942952202 /nfs/dbraw/zinc/95/22/02/942952202.db2.gz YNGWXIVAPOKZNY-UHFFFAOYSA-N 1 0 267.325 1.453 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC001231843456 943025826 /nfs/dbraw/zinc/02/58/26/943025826.db2.gz ZLFUPBKTSAFMHO-AWEZNQCLSA-N 1 0 253.317 1.915 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC001231847722 943028550 /nfs/dbraw/zinc/02/85/50/943028550.db2.gz BWPFDQCIQFHRDV-ZDUSSCGKSA-N 1 0 278.396 1.966 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)cc1Cl ZINC001232268342 943196983 /nfs/dbraw/zinc/19/69/83/943196983.db2.gz MOSYKYQFGGJMRN-QWRGUYRKSA-N 1 0 282.771 1.943 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3O)C[C@@H]21 ZINC001232838676 943415342 /nfs/dbraw/zinc/41/53/42/943415342.db2.gz BJPNEFLFIFWMCR-NHAGDIPZSA-N 1 0 290.363 1.309 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840691 943416750 /nfs/dbraw/zinc/41/67/50/943416750.db2.gz HEGRJMNLNRVKPI-CYBMUJFWSA-N 1 0 277.368 1.169 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233015319 943463698 /nfs/dbraw/zinc/46/36/98/943463698.db2.gz KJOBUYYEACQTIC-RYUDHWBXSA-N 1 0 278.352 1.329 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001233017491 943465792 /nfs/dbraw/zinc/46/57/92/943465792.db2.gz XAIUXWLWQQUSMI-NWDGAFQWSA-N 1 0 278.352 1.329 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC(n3cccn3)CC2)cc1O ZINC001233486242 943594090 /nfs/dbraw/zinc/59/40/90/943594090.db2.gz FCRLTDCKZZWZLZ-UHFFFAOYSA-N 1 0 289.335 1.837 20 10 CDCDRO C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@H]1CCCCO1 ZINC001233485904 943594181 /nfs/dbraw/zinc/59/41/81/943594181.db2.gz PRLOOYBMINIGGQ-LLVKDONJSA-N 1 0 267.325 1.804 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(CCO3)CC2)cc1O ZINC001233485814 943594563 /nfs/dbraw/zinc/59/45/63/943594563.db2.gz LIZUREDMHBIWLY-UHFFFAOYSA-N 1 0 265.309 1.558 20 10 CDCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486964 943595022 /nfs/dbraw/zinc/59/50/22/943595022.db2.gz JXSVRCPUZOBJIR-SECBINFHSA-N 1 0 281.308 1.188 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C[C@@H]2CO)cc1 ZINC001235444705 944157296 /nfs/dbraw/zinc/15/72/96/944157296.db2.gz QXARRXYYSSKNIH-GOSISDBHSA-N 1 0 299.418 1.860 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001235676908 944242766 /nfs/dbraw/zinc/24/27/66/944242766.db2.gz WVVAGMNLUMFDLR-DZGCQCFKSA-N 1 0 293.407 1.865 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1c(C)cc(OC)cc1O ZINC001236883510 944603431 /nfs/dbraw/zinc/60/34/31/944603431.db2.gz DPENCLBZHSUXNH-NSHDSACASA-N 1 0 252.358 1.878 20 10 CDCDRO 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1.049 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246866490 948490665 /nfs/dbraw/zinc/49/06/65/948490665.db2.gz UOAIJICHYBHOMS-STQMWFEESA-N 1 0 278.352 1.118 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@H](C)C2)c(O)c1 ZINC001249171778 949433524 /nfs/dbraw/zinc/43/35/24/949433524.db2.gz FOFYLPZQRTUOJY-GFCCVEGCSA-N 1 0 293.363 1.576 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](O)COC(C)C)cc1C ZINC001252698824 951595232 /nfs/dbraw/zinc/59/52/32/951595232.db2.gz KFWLJFWHNIIKIK-AWEZNQCLSA-N 1 0 267.369 1.879 20 10 CDCDRO NC(=O)C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001253963083 952165209 /nfs/dbraw/zinc/16/52/09/952165209.db2.gz LDEDYZOYTRDZGD-UHFFFAOYSA-N 1 0 287.407 1.984 20 10 CDCDRO O=C([O-])C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001329825072 956130707 /nfs/dbraw/zinc/13/07/07/956130707.db2.gz FPSCBEBNXCZRJQ-UHFFFAOYSA-N 1 0 290.363 1.260 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CF)C1)[C@H](O)CO2 ZINC001331021323 956767070 /nfs/dbraw/zinc/76/70/70/956767070.db2.gz 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/nfs/dbraw/zinc/59/99/87/960599987.db2.gz UAJFTRPQDNHHDH-UHFFFAOYSA-N 1 0 278.400 1.798 20 10 CDCDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001345159072 964610481 /nfs/dbraw/zinc/61/04/81/964610481.db2.gz AGMJMMXVWSHNCZ-CQSZACIVSA-N 1 0 277.368 1.979 20 10 CDCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC001346739309 965235176 /nfs/dbraw/zinc/23/51/76/965235176.db2.gz PNAAPYQCPLXCQP-YPMHNXCESA-N 1 0 276.384 1.395 20 10 CDCDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001352788090 967481508 /nfs/dbraw/zinc/48/15/08/967481508.db2.gz BMSNHISQZPAKGD-AWEZNQCLSA-N 1 0 282.409 1.668 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000848914751 969351080 /nfs/dbraw/zinc/35/10/80/969351080.db2.gz NHGMXRSCQZLFSS-HNNXBMFYSA-N 1 0 262.353 1.713 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000294953648 199268298 /nfs/dbraw/zinc/26/82/98/199268298.db2.gz DHKHFENEQVUXRT-ZDUSSCGKSA-N 1 0 299.440 1.170 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000133379562 398205538 /nfs/dbraw/zinc/20/55/38/398205538.db2.gz PEEGDMAAEUPCML-UHFFFAOYSA-N 1 0 250.342 1.657 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC(=O)N1 ZINC000295019074 199303458 /nfs/dbraw/zinc/30/34/58/199303458.db2.gz NBHIRSKMYWSFEO-NSHDSACASA-N 1 0 270.332 1.866 20 10 CDCDRO O=C(CCC[NH2+]Cc1cc2c(cc1O)OCO2)NC1CC1 ZINC000112017141 365853879 /nfs/dbraw/zinc/85/38/79/365853879.db2.gz JJXWBWJLUOQNAZ-UHFFFAOYSA-N 1 0 292.335 1.269 20 10 CDCDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000194635108 362823034 /nfs/dbraw/zinc/82/30/34/362823034.db2.gz DQOVHBVOYNSBKK-CYBMUJFWSA-N 1 0 267.325 1.618 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000293908459 358479337 /nfs/dbraw/zinc/47/93/37/358479337.db2.gz HVKWSFIKHAOWFF-LBPRGKRZSA-N 1 0 269.316 1.937 20 10 CDCDRO OCCC[NH2+]Cc1cc(Br)ccc1O ZINC000067697318 356803316 /nfs/dbraw/zinc/80/33/16/356803316.db2.gz NEXJKZDSMVYCNI-UHFFFAOYSA-N 1 0 260.131 1.627 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000036794561 356884313 /nfs/dbraw/zinc/88/43/13/356884313.db2.gz OJTKAZVHZSHXOX-MNOVXSKESA-N 1 0 250.342 1.876 20 10 CDCDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C ZINC000042880317 357082770 /nfs/dbraw/zinc/08/27/70/357082770.db2.gz NIDKRABQYIHSGU-VIFPVBQESA-N 1 0 252.314 1.161 20 10 CDCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000181122423 357316017 /nfs/dbraw/zinc/31/60/17/357316017.db2.gz JWPWXBSAJBIDKK-STMXVASLSA-N 1 0 290.363 1.664 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c1O ZINC000190928897 358100938 /nfs/dbraw/zinc/10/09/38/358100938.db2.gz IFIICSBFLGREMH-VHSXEESVSA-N 1 0 299.342 1.298 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1 ZINC000191181276 358118099 /nfs/dbraw/zinc/11/80/99/358118099.db2.gz IHPQFXDYBIKFGK-GXFFZTMASA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000294917798 199246854 /nfs/dbraw/zinc/24/68/54/199246854.db2.gz SXGFGMZVOVIIBC-AOOOYVTPSA-N 1 0 257.717 1.667 20 10 CDCDRO COCC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112018171 359278226 /nfs/dbraw/zinc/27/82/26/359278226.db2.gz WSGIAWXQVOOYFD-VIFPVBQESA-N 1 0 253.298 1.636 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000113350387 359396262 /nfs/dbraw/zinc/39/62/62/359396262.db2.gz KVCZAXLLNXSBNO-SECBINFHSA-N 1 0 291.800 1.958 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000281567914 363813984 /nfs/dbraw/zinc/81/39/84/363813984.db2.gz KGXRHSIAQCVCIR-QWRGUYRKSA-N 1 0 269.341 1.449 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)COC)cc1 ZINC000268895043 364110170 /nfs/dbraw/zinc/11/01/70/364110170.db2.gz KKCACAYBZCHPGX-WFASDCNBSA-N 1 0 266.385 1.801 20 10 CDCDRO CC[N@H+](CCOC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000270776947 364752676 /nfs/dbraw/zinc/75/26/76/364752676.db2.gz NIEDOVSCNAMKHD-UHFFFAOYSA-N 1 0 293.411 1.337 20 10 CDCDRO CNC(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000271200119 364971634 /nfs/dbraw/zinc/97/16/34/364971634.db2.gz WGUSYQFPUCUSRQ-UHFFFAOYSA-N 1 0 263.341 1.158 20 10 CDCDRO OCc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000222111180 367282425 /nfs/dbraw/zinc/28/24/25/367282425.db2.gz BGZBZBLLWDARGH-UHFFFAOYSA-N 1 0 287.315 1.903 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NCCF ZINC000282687444 367993360 /nfs/dbraw/zinc/99/33/60/367993360.db2.gz NWBZDNNEQFHLKP-SNVBAGLBSA-N 1 0 266.316 1.185 20 10 CDCDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1O ZINC000289188866 369530048 /nfs/dbraw/zinc/53/00/48/369530048.db2.gz ASOJEGYAZSTOGB-ZFWWWQNUSA-N 1 0 276.380 1.687 20 10 CDCDRO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)ccc1N(C)C ZINC000293034031 370492279 /nfs/dbraw/zinc/49/22/79/370492279.db2.gz JDKDNTABQLZRDG-OAHLLOKOSA-N 1 0 275.396 1.724 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccccc1O ZINC000271700373 371079537 /nfs/dbraw/zinc/07/95/37/371079537.db2.gz TXLABNAOQOSRHI-MRVPVSSYSA-N 1 0 258.268 1.424 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1 ZINC000295817061 371398640 /nfs/dbraw/zinc/39/86/40/371398640.db2.gz BMUJCUNKMLWUCQ-CYBMUJFWSA-N 1 0 278.396 1.808 20 10 CDCDRO COCCOCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295909283 371401372 /nfs/dbraw/zinc/40/13/72/371401372.db2.gz JCXZHMVYJMVIJM-GFCCVEGCSA-N 1 0 251.326 1.632 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CC(=O)NC2CC2)C2CC2)cc1 ZINC000298742036 372268230 /nfs/dbraw/zinc/26/82/30/372268230.db2.gz XGZDJQNUGBJFHS-UHFFFAOYSA-N 1 0 287.407 1.996 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCCNC1=O ZINC000123973088 374745537 /nfs/dbraw/zinc/74/55/37/374745537.db2.gz DAUWUNMKKWVXTR-LLVKDONJSA-N 1 0 292.335 1.221 20 10 CDCDRO COc1cccc(C[NH2+]CCOCC2CC2)c1O ZINC000224528108 390892396 /nfs/dbraw/zinc/89/23/96/390892396.db2.gz OOHXDKZOYKGKEM-UHFFFAOYSA-N 1 0 251.326 1.917 20 10 CDCDRO CCOc1cccc(CN2CCNC(=O)[C@@H]2C(C)C)c1O ZINC000093054909 390899240 /nfs/dbraw/zinc/89/92/40/390899240.db2.gz HGVWEHDGHGBRIN-AWEZNQCLSA-N 1 0 292.379 1.747 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC)c1O ZINC000133054140 390900782 /nfs/dbraw/zinc/90/07/82/390900782.db2.gz PBSFOVKNXXCWKE-CYBMUJFWSA-N 1 0 292.379 1.891 20 10 CDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000179333236 391201950 /nfs/dbraw/zinc/20/19/50/391201950.db2.gz IJEASNDGHZSWAS-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(O)c1O ZINC000179514876 391208301 /nfs/dbraw/zinc/20/83/01/391208301.db2.gz VVZDLRSSQIECTI-AAEUAGOBSA-N 1 0 292.379 1.818 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000841941148 620636349 /nfs/dbraw/zinc/63/63/49/620636349.db2.gz KWMUPRZQLUXAGL-ZJUUUORDSA-N 1 0 279.340 1.123 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCOCCO ZINC000020198980 171062281 /nfs/dbraw/zinc/06/22/81/171062281.db2.gz GLOOUJWMGSDPGS-RYUDHWBXSA-N 1 0 265.353 1.847 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000037262886 173072270 /nfs/dbraw/zinc/07/22/70/173072270.db2.gz RTDRJRWXNQDDAQ-LLVKDONJSA-N 1 0 261.369 1.682 20 10 CDCDRO CCNC(=O)N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000153393592 261077807 /nfs/dbraw/zinc/07/78/07/261077807.db2.gz BOCNIZKKKYLPDF-UHFFFAOYSA-N 1 0 291.395 1.856 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)ccc21 ZINC000166474363 261390555 /nfs/dbraw/zinc/39/05/55/261390555.db2.gz PEKFNGIVTGBTNH-CABCVRRESA-N 1 0 287.407 1.813 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710946 261756361 /nfs/dbraw/zinc/75/63/61/261756361.db2.gz GCQNYOUCYHUJSL-CYBMUJFWSA-N 1 0 275.396 1.759 20 10 CDCDRO Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(O)c1O ZINC000367988988 267132715 /nfs/dbraw/zinc/13/27/15/267132715.db2.gz OVOUREBTJIPPTJ-GFCCVEGCSA-N 1 0 290.363 1.717 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000273734620 328206210 /nfs/dbraw/zinc/20/62/10/328206210.db2.gz KVUDUDAQSNXWQA-CQSZACIVSA-N 1 0 289.379 1.737 20 10 CDCDRO CCOc1ccc(C[NH2+]Cc2cnnn2CC)c(O)c1 ZINC000527725683 330277426 /nfs/dbraw/zinc/27/74/26/330277426.db2.gz GNEUGDUYZIWPER-UHFFFAOYSA-N 1 0 276.340 1.692 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CCO)c(OC)c1 ZINC001236253550 1161220599 /nfs/dbraw/zinc/22/05/99/1161220599.db2.gz HVFQMEZSEXPBQZ-UHFFFAOYSA-N 1 0 266.385 1.966 20 10 CDCDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276561351 520870405 /nfs/dbraw/zinc/87/04/05/520870405.db2.gz IZUZNLICJMRNND-JTQLQIEISA-N 1 0 296.342 1.793 20 10 CDCDRO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000261674933 522324559 /nfs/dbraw/zinc/32/45/59/522324559.db2.gz HAHHZCTYKJBBSL-NSHDSACASA-N 1 0 286.379 1.827 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)CO)c1O ZINC000228672166 522540614 /nfs/dbraw/zinc/54/06/14/522540614.db2.gz DIDQDQFTYWSUAN-QMMMGPOBSA-N 1 0 259.733 1.772 20 10 CDCDRO COC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278270168 522596179 /nfs/dbraw/zinc/59/61/79/522596179.db2.gz ROPIDIPYZRSYPE-VIFPVBQESA-N 1 0 284.312 1.776 20 10 CDCDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(C)cc1O ZINC000280302036 522750922 /nfs/dbraw/zinc/75/09/22/522750922.db2.gz ZYHBAZSQXBRYFN-AAEUAGOBSA-N 1 0 262.353 1.972 20 10 CDCDRO COCC1(C[NH2+]Cc2ccccc2O)CCOCC1 ZINC000291710732 522900299 /nfs/dbraw/zinc/90/02/99/522900299.db2.gz LIDZWKJPLUOMLS-UHFFFAOYSA-N 1 0 265.353 1.925 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCCC[NH2+]3)ccc21 ZINC000237128663 523861440 /nfs/dbraw/zinc/86/14/40/523861440.db2.gz SXWKEYYQZFPCSX-HNNXBMFYSA-N 1 0 287.407 1.827 20 10 CDCDRO COCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866543 523861638 /nfs/dbraw/zinc/86/16/38/523861638.db2.gz PHMIHGPFWGTAGQ-UHFFFAOYSA-N 1 0 268.332 1.603 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000290291270 524010527 /nfs/dbraw/zinc/01/05/27/524010527.db2.gz YAGWUWOGRSEZBI-UGFHNGPFSA-N 1 0 264.369 1.817 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[S@](=O)C1 ZINC000277311891 524635940 /nfs/dbraw/zinc/63/59/40/524635940.db2.gz BPGZPGCGYWZMOT-GTNSWQLSSA-N 1 0 253.367 1.593 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c1 ZINC000036977195 524767562 /nfs/dbraw/zinc/76/75/62/524767562.db2.gz PEDRWSPSDWCGJH-ZWNOBZJWSA-N 1 0 278.352 1.720 20 10 CDCDRO Cc1cc(Cl)cc(C[NH2+]Cc2cnnn2C)c1O ZINC000290076165 524871560 /nfs/dbraw/zinc/87/15/60/524871560.db2.gz GFCSFMKCPSVPHK-UHFFFAOYSA-N 1 0 266.732 1.772 20 10 CDCDRO C[S@@](=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000282338646 525359987 /nfs/dbraw/zinc/35/99/87/525359987.db2.gz LYEUABYZWBFZTA-LJQANCHMSA-N 1 0 283.349 1.122 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O ZINC000094617781 525417903 /nfs/dbraw/zinc/41/79/03/525417903.db2.gz LWHQWTDZQCJYOM-VHSXEESVSA-N 1 0 287.356 1.617 20 10 CDCDRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000189932976 527569822 /nfs/dbraw/zinc/56/98/22/527569822.db2.gz BBTNVYOUJFVZQZ-PWSUYJOCSA-N 1 0 279.336 1.762 20 10 CDCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000280443723 527606874 /nfs/dbraw/zinc/60/68/74/527606874.db2.gz CUYBVYUFPQLSBZ-PWSUYJOCSA-N 1 0 269.316 1.266 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000762263255 576635704 /nfs/dbraw/zinc/63/57/04/576635704.db2.gz DAHPXFSTDYTZBP-GFCCVEGCSA-N 1 0 278.352 1.241 20 10 CDCDRO CCN(C)c1ccc(C[NH2+]C2(CO)CCOCC2)cc1 ZINC000773747496 575837470 /nfs/dbraw/zinc/83/74/70/575837470.db2.gz GWRYWCBRTDVBGC-UHFFFAOYSA-N 1 0 278.396 1.774 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000768239046 576266145 /nfs/dbraw/zinc/26/61/45/576266145.db2.gz BILPSINYTWDGQL-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO CC(C)(C)C[N@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000769339378 576347614 /nfs/dbraw/zinc/34/76/14/576347614.db2.gz WKEKUTBIHZVXQI-UHFFFAOYSA-N 1 0 281.352 1.961 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000760452624 576485371 /nfs/dbraw/zinc/48/53/71/576485371.db2.gz ZLIYDLUUKVYVAJ-LLVKDONJSA-N 1 0 279.258 1.804 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763727294 576752577 /nfs/dbraw/zinc/75/25/77/576752577.db2.gz ILVZISYLODZTTQ-GFCCVEGCSA-N 1 0 261.321 1.920 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1ccco1)OCO2 ZINC000747097488 576858590 /nfs/dbraw/zinc/85/85/90/576858590.db2.gz FEBXDMUNPWTMMH-NSHDSACASA-N 1 0 277.276 1.537 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(F)ccc1O ZINC000756641709 576998337 /nfs/dbraw/zinc/99/83/37/576998337.db2.gz YGWKQGXTJMFTKQ-VIFPVBQESA-N 1 0 289.310 1.876 20 10 CDCDRO C[N@H+](CCF)Cc1ccc(N2CCOCC2)cc1 ZINC000759332418 577169392 /nfs/dbraw/zinc/16/93/92/577169392.db2.gz LYFOFYCUHJAAPY-UHFFFAOYSA-N 1 0 252.333 1.925 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891563905 617479695 /nfs/dbraw/zinc/47/96/95/617479695.db2.gz KFJOYMBITFNRFM-ZFWWWQNUSA-N 1 0 288.395 1.317 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1O ZINC000892097860 617480164 /nfs/dbraw/zinc/48/01/64/617480164.db2.gz SRTNHQPRVBWKAO-SRVKXCTJSA-N 1 0 277.368 1.893 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnn(C)c2C)c(O)c1OC ZINC000893268133 617505374 /nfs/dbraw/zinc/50/53/74/617505374.db2.gz AMBKYTKWGPFZPC-UHFFFAOYSA-N 1 0 291.351 1.741 20 10 CDCDRO COc1ccc(CNC(=O)NCCC(C)(C)[NH3+])c(O)c1 ZINC000892852940 617830445 /nfs/dbraw/zinc/83/04/45/617830445.db2.gz FNWCSMJFBXAFDK-UHFFFAOYSA-N 1 0 281.356 1.327 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c(O)c1OC ZINC000893908233 618184397 /nfs/dbraw/zinc/18/43/97/618184397.db2.gz UKENHUCVLVAFSV-PWSUYJOCSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@@H](C)O)c(O)c1OC ZINC000893112469 618184515 /nfs/dbraw/zinc/18/45/15/618184515.db2.gz OEOGHZFVKHYRIE-SECBINFHSA-N 1 0 255.314 1.270 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(C)ccc1O ZINC000922588808 618269169 /nfs/dbraw/zinc/26/91/69/618269169.db2.gz BSPPIJLARFDIMW-OAHLLOKOSA-N 1 0 278.396 1.901 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC000822504566 618549430 /nfs/dbraw/zinc/54/94/30/618549430.db2.gz VPWXZUFRSQONKT-CYBMUJFWSA-N 1 0 288.351 1.829 20 10 CDCDRO Fc1cc(CN[C@@H]2CC[NH2+]C2)ccc1N1CCOCC1 ZINC000841045410 618678482 /nfs/dbraw/zinc/67/84/82/618678482.db2.gz ULDUKHXRXPWBPL-CYBMUJFWSA-N 1 0 279.359 1.114 20 10 CDCDRO CCOc1ccc(CNC[C@@]2(COC)CCC[NH2+]2)c(O)c1 ZINC000841067223 618680134 /nfs/dbraw/zinc/68/01/34/618680134.db2.gz LHKKLPVKCOSEJR-MRXNPFEDSA-N 1 0 294.395 1.649 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+][C@@H](C)[C@H]2C)c(O)c1 ZINC000843057007 618691453 /nfs/dbraw/zinc/69/14/53/618691453.db2.gz FBWDFFKWYPWUIZ-NWDGAFQWSA-N 1 0 264.369 1.973 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CO[C@@H]2CCOC2)c1O ZINC000894338720 618793333 /nfs/dbraw/zinc/79/33/33/618793333.db2.gz JNYJPQNWBGICMZ-TZMCWYRMSA-N 1 0 295.379 1.993 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000894345978 618804547 /nfs/dbraw/zinc/80/45/47/618804547.db2.gz NYLHMGAQLDOSGS-WFASDCNBSA-N 1 0 294.395 1.518 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894813893 619071428 /nfs/dbraw/zinc/07/14/28/619071428.db2.gz VLVNKQFSKYMCTE-UHFFFAOYSA-N 1 0 296.367 1.414 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CC(=O)N(C)OC)cc1F ZINC000895041316 619218396 /nfs/dbraw/zinc/21/83/96/619218396.db2.gz RCILOHRGYBBDIV-UHFFFAOYSA-N 1 0 297.374 1.781 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CC(C)=NO2)c1O ZINC000895312048 619541435 /nfs/dbraw/zinc/54/14/35/619541435.db2.gz STSGCIRJFAGCKU-LLVKDONJSA-N 1 0 250.298 1.655 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)c(O)c1OC ZINC000897355609 620550937 /nfs/dbraw/zinc/55/09/37/620550937.db2.gz YDOROWCQBVHIBZ-HOMQSWHASA-N 1 0 267.325 1.270 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c(O)c1 ZINC000897628620 621039721 /nfs/dbraw/zinc/03/97/21/621039721.db2.gz GIDQTBCRWKSSSD-CYBMUJFWSA-N 1 0 292.379 1.890 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC000897681280 621069963 /nfs/dbraw/zinc/06/99/63/621069963.db2.gz ZXQWNNGKNCBOKK-SUMWQHHRSA-N 1 0 290.407 1.460 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCCON)c1O ZINC000904457118 626301180 /nfs/dbraw/zinc/30/11/80/626301180.db2.gz OPSDZPWWGKERPY-UHFFFAOYSA-N 1 0 260.721 1.424 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC000907275019 627579047 /nfs/dbraw/zinc/57/90/47/627579047.db2.gz VCBBXKLWWDBTSE-LLVKDONJSA-N 1 0 292.379 1.629 20 10 CDCDRO CN(C)c1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1F ZINC000841087305 628430289 /nfs/dbraw/zinc/43/02/89/628430289.db2.gz UHSUHPCTTHZSAG-CYBMUJFWSA-N 1 0 281.375 1.360 20 10 CDCDRO Nc1ccc(CC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000169819339 1158604317 /nfs/dbraw/zinc/60/43/17/1158604317.db2.gz JJYQJHUINVMEPW-UHFFFAOYSA-N 1 0 255.321 1.909 20 10 CDCDRO Oc1cccc(Br)c1CN1CCC[NH2+]CC1 ZINC000706852097 1158765253 /nfs/dbraw/zinc/76/52/53/1158765253.db2.gz OOGRHPRELXFHSU-UHFFFAOYSA-N 1 0 285.185 1.950 20 10 CDCDRO CC[C@@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCO1 ZINC001170176920 1162293136 /nfs/dbraw/zinc/29/31/36/1162293136.db2.gz CXVDZQZEJDZTKU-NWDGAFQWSA-N 1 0 279.336 1.828 20 10 CDCDRO Cc1c(O)ccc(CN2CC(C)([NH+](C)C)C2)c1O ZINC001140749079 1159418395 /nfs/dbraw/zinc/41/83/95/1159418395.db2.gz QBWGQKIHOPJCCW-UHFFFAOYSA-N 1 0 250.342 1.542 20 10 CDCDRO CNc1cc(CNC(=O)NCc2ccc(N)cc2)ccn1 ZINC001578754352 1171994953 /nfs/dbraw/zinc/99/49/53/1171994953.db2.gz GGZPBFLXTHWZJI-UHFFFAOYSA-N 1 0 285.351 1.705 20 10 CDCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001580096035 1172347281 /nfs/dbraw/zinc/34/72/81/1172347281.db2.gz CADTXWZKAVJYIJ-VXGBXAGGSA-N 1 0 289.339 1.849 20 10 CDCDRO [NH3+][C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@H]2C[C@H]21 ZINC001580401609 1172424403 /nfs/dbraw/zinc/42/44/03/1172424403.db2.gz ODTPCFIMRUPYAH-WHOHXGKFSA-N 1 0 280.755 1.645 20 10 CDCDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc2cc(O)c(O)cc2s1 ZINC001580608216 1172481029 /nfs/dbraw/zinc/48/10/29/1172481029.db2.gz RQQYTHBWWNYDLE-SECBINFHSA-N 1 0 292.360 1.794 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC(C)(C)CC[NH3+] ZINC000817875916 728772879 /nfs/dbraw/zinc/77/28/79/728772879.db2.gz BZPWVXIQSUMSMW-UHFFFAOYSA-N 1 0 292.427 1.988 20 10 CDCDRO CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817943232 728958473 /nfs/dbraw/zinc/95/84/73/728958473.db2.gz LODWRZNKLKOMBG-NSHDSACASA-N 1 0 280.368 1.829 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)c(O)c1 ZINC000843499357 728816594 /nfs/dbraw/zinc/81/65/94/728816594.db2.gz FPVJRHKBVKJAOG-LBPRGKRZSA-N 1 0 264.325 1.159 20 10 CDCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(OC)ccc1O ZINC000816660487 728823281 /nfs/dbraw/zinc/82/32/81/728823281.db2.gz GEOBAJZDQDYGEB-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c(O)c1 ZINC000832178424 728825550 /nfs/dbraw/zinc/82/55/50/728825550.db2.gz RBZVVTXTEPQGSK-ZDUSSCGKSA-N 1 0 290.363 1.407 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCS2)cc1 ZINC000832267329 728833584 /nfs/dbraw/zinc/83/35/84/728833584.db2.gz QORRPGMGBLQXPA-UONOGXRCSA-N 1 0 293.436 1.764 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)[C@H]1C ZINC000787420280 728859560 /nfs/dbraw/zinc/85/95/60/728859560.db2.gz FHDUIFGPWURZSU-CMPLNLGQSA-N 1 0 279.336 1.784 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(O)(CO)CC2)c1 ZINC000827146330 728865940 /nfs/dbraw/zinc/86/59/40/728865940.db2.gz DWSGPNZDTYTSMZ-UHFFFAOYSA-N 1 0 281.352 1.110 20 10 CDCDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1O ZINC000876996135 728867181 /nfs/dbraw/zinc/86/71/81/728867181.db2.gz PSABIGXHDPULCW-DGCLKSJQSA-N 1 0 262.353 1.929 20 10 CDCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000877256309 728893597 /nfs/dbraw/zinc/89/35/97/728893597.db2.gz RWRAECOVKOGFTJ-UEKVPHQBSA-N 1 0 278.352 1.336 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CC1(O)CCOCC1 ZINC000180658371 728898240 /nfs/dbraw/zinc/89/82/40/728898240.db2.gz NCUDHDCPVISIJG-UHFFFAOYSA-N 1 0 255.289 1.162 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccccc1O ZINC000702636415 728923848 /nfs/dbraw/zinc/92/38/48/728923848.db2.gz MLGNNQPIQRSVOU-HIFRSBDPSA-N 1 0 264.369 1.500 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c(O)c1 ZINC000876652576 728945499 /nfs/dbraw/zinc/94/54/99/728945499.db2.gz PYNGGXNCEIUKNV-ZIAGYGMSSA-N 1 0 274.364 1.944 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000877558631 728954971 /nfs/dbraw/zinc/95/49/71/728954971.db2.gz KUECAFSFJORMSQ-CYBMUJFWSA-N 1 0 278.352 1.973 20 10 CDCDRO CCOc1ccc(CN(C)CC(C)(C)[NH3+])c(O)c1 ZINC000849350786 728385474 /nfs/dbraw/zinc/38/54/74/728385474.db2.gz WIEMZHOFWUZWKF-UHFFFAOYSA-N 1 0 252.358 1.960 20 10 CDCDRO C[C@H](CS(C)(=O)=O)N(C)Cc1cc(F)ccc1O ZINC000180150626 728395858 /nfs/dbraw/zinc/39/58/58/728395858.db2.gz HSPLUADRLKFUKW-SECBINFHSA-N 1 0 275.345 1.396 20 10 CDCDRO C[C@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCCC1 ZINC000126497711 728424169 /nfs/dbraw/zinc/42/41/69/728424169.db2.gz GHNIEOMYGMGDTD-SNVBAGLBSA-N 1 0 264.325 1.312 20 10 CDCDRO C[C@H](O)C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000848928963 728490741 /nfs/dbraw/zinc/49/07/41/728490741.db2.gz QMPIZTVPVMXWPT-VIFPVBQESA-N 1 0 265.309 1.466 20 10 CDCDRO CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(F)ccc1O ZINC000779218941 728517709 /nfs/dbraw/zinc/51/77/09/728517709.db2.gz WTEQJBWDDQHEHO-CYBMUJFWSA-N 1 0 280.343 1.974 20 10 CDCDRO CCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647685 728527516 /nfs/dbraw/zinc/52/75/16/728527516.db2.gz IGUONRSQIJULPQ-SNVBAGLBSA-N 1 0 279.340 1.279 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CC(C)(O)C3)cc2)CC1 ZINC000877581302 728529591 /nfs/dbraw/zinc/52/95/91/728529591.db2.gz VXHYEJHUVORSGM-UHFFFAOYSA-N 1 0 275.396 1.005 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC1=[NH+]CCCN1C ZINC000849009182 728550194 /nfs/dbraw/zinc/55/01/94/728550194.db2.gz ISLUKJWKYIKWOO-UHFFFAOYSA-N 1 0 260.385 1.842 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccccc1O ZINC000870988078 728570092 /nfs/dbraw/zinc/57/00/92/728570092.db2.gz FWWTUPFGTURDHP-IFUGULHKSA-N 1 0 260.337 1.569 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984536 728578702 /nfs/dbraw/zinc/57/87/02/728578702.db2.gz BCFKYSXQZXCQEM-MRXNPFEDSA-N 1 0 292.423 1.946 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)NCCCSc1nccs1 ZINC000852805882 728589871 /nfs/dbraw/zinc/58/98/71/728589871.db2.gz OHNFLKOHPWBXKZ-VIFPVBQESA-N 1 0 273.427 1.740 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000857062155 728590730 /nfs/dbraw/zinc/59/07/30/728590730.db2.gz YRVRYROPGWHQKS-VXGBXAGGSA-N 1 0 265.353 1.851 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)ccc1N(C)C ZINC000815101180 728592253 /nfs/dbraw/zinc/59/22/53/728592253.db2.gz PQIWKEVBVOMYGM-GOEBONIOSA-N 1 0 278.396 1.236 20 10 CDCDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(F)ccc1O)C2 ZINC000857226575 728960199 /nfs/dbraw/zinc/96/01/99/728960199.db2.gz RQWLKAKLISWQHU-SMDDNHRTSA-N 1 0 250.317 1.845 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000092132601 728966620 /nfs/dbraw/zinc/96/66/20/728966620.db2.gz GQYMBZOGHBANGT-ZDUSSCGKSA-N 1 0 291.395 1.199 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000831203784 728979705 /nfs/dbraw/zinc/97/97/05/728979705.db2.gz ZROGDNPIQPIPCZ-VWYCJHECSA-N 1 0 295.383 1.887 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000848926710 729010921 /nfs/dbraw/zinc/01/09/21/729010921.db2.gz WXLAFVRKGQOTNX-CQSZACIVSA-N 1 0 299.422 1.837 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000817896934 729029094 /nfs/dbraw/zinc/02/90/94/729029094.db2.gz ZMWBXGMGTLYLOY-DLBZAZTESA-N 1 0 289.423 1.609 20 10 CDCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876789656 729032913 /nfs/dbraw/zinc/03/29/13/729032913.db2.gz FQIYPRRSIAZDSY-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877320714 729050353 /nfs/dbraw/zinc/05/03/53/729050353.db2.gz RTHSIKBEDVAKPC-CYBMUJFWSA-N 1 0 278.396 1.460 20 10 CDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000831094976 729134939 /nfs/dbraw/zinc/13/49/39/729134939.db2.gz TXIZXPMJBQJFRN-NEPJUHHUSA-N 1 0 278.400 1.678 20 10 CDCDRO Cc1ccc(C[N@@H+](C)CC(C)(CO)CO)c(O)c1 ZINC000876748050 729154362 /nfs/dbraw/zinc/15/43/62/729154362.db2.gz TXJPGIATYQGSPS-UHFFFAOYSA-N 1 0 253.342 1.123 20 10 CDCDRO CC1(C)CN(Cc2c(O)cccc2Cl)CC[N@@H+]1CCO ZINC000783713756 729162125 /nfs/dbraw/zinc/16/21/25/729162125.db2.gz HVASSIWEQURVLN-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO OCC1([NH2+]Cc2ccc3c(c2)CCO3)CCSCC1 ZINC000839177859 729187915 /nfs/dbraw/zinc/18/79/15/729187915.db2.gz SJBRSYQPEHHEDQ-UHFFFAOYSA-N 1 0 279.405 1.969 20 10 CDCDRO CCOC(=O)[C@@H]1CN(Cc2c(C)cccc2O)CCO1 ZINC000876754297 729188565 /nfs/dbraw/zinc/18/85/65/729188565.db2.gz FISHEYRZKYRXEF-AWEZNQCLSA-N 1 0 279.336 1.465 20 10 CDCDRO CC[C@@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858190024 729233406 /nfs/dbraw/zinc/23/34/06/729233406.db2.gz YLCKXKAIALGACN-SNVBAGLBSA-N 1 0 258.312 1.891 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817419100 729239234 /nfs/dbraw/zinc/23/92/34/729239234.db2.gz PBGMNRUMDZXLJG-NSHDSACASA-N 1 0 293.758 1.527 20 10 CDCDRO NC(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000134225131 729277151 /nfs/dbraw/zinc/27/71/51/729277151.db2.gz GBBSARARCQEESV-UHFFFAOYSA-N 1 0 256.305 1.781 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000840825120 729311770 /nfs/dbraw/zinc/31/17/70/729311770.db2.gz SNHOATGMIIPBGR-GFCCVEGCSA-N 1 0 290.363 1.264 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNCc1ccc(N(C)C)c(F)c1 ZINC000841028861 729332377 /nfs/dbraw/zinc/33/23/77/729332377.db2.gz JCAQTZBDSRCLKT-ZDUSSCGKSA-N 1 0 253.365 1.965 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000858552246 729340775 /nfs/dbraw/zinc/34/07/75/729340775.db2.gz DTARKAUPRRUGMT-ARFHVFGLSA-N 1 0 278.396 1.943 20 10 CDCDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000136827607 729356384 /nfs/dbraw/zinc/35/63/84/729356384.db2.gz BSBHCBFVARJZNG-GHMZBOCLSA-N 1 0 279.336 1.714 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1O ZINC000126674060 729362638 /nfs/dbraw/zinc/36/26/38/729362638.db2.gz BLSZRVKAFXBMDF-LBPRGKRZSA-N 1 0 299.392 1.458 20 10 CDCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000790937141 729377056 /nfs/dbraw/zinc/37/70/56/729377056.db2.gz KBGNFZMXZUMSKO-INIZCTEOSA-N 1 0 290.407 1.726 20 10 CDCDRO O=S1(=O)CC[C@H](N(Cc2cc(F)ccc2O)C2CC2)C1 ZINC000179935474 729387333 /nfs/dbraw/zinc/38/73/33/729387333.db2.gz VOGIWJFHINJVKO-ZDUSSCGKSA-N 1 0 299.367 1.683 20 10 CDCDRO COCCNC(=O)C1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000839193990 729457718 /nfs/dbraw/zinc/45/77/18/729457718.db2.gz ZTZDXROZJJERDK-UHFFFAOYSA-N 1 0 292.379 1.388 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)CCOC2)cc1C ZINC000184181653 729472665 /nfs/dbraw/zinc/47/26/65/729472665.db2.gz AUDQZKVQRWVORY-CQSZACIVSA-N 1 0 251.326 1.250 20 10 CDCDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007795256 729478496 /nfs/dbraw/zinc/47/84/96/729478496.db2.gz YLTKASHSXLYLAG-LBPRGKRZSA-N 1 0 293.367 1.313 20 10 CDCDRO O=C1C[C@H](C[NH2+]Cc2ccccc2O)CN1C1CC1 ZINC000846075187 729492177 /nfs/dbraw/zinc/49/21/77/729492177.db2.gz LTYGUIVFFYKOBA-LLVKDONJSA-N 1 0 260.337 1.493 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cccc(OC)c2O)CC1=O ZINC000391516558 729497450 /nfs/dbraw/zinc/49/74/50/729497450.db2.gz QQZMJTFVPGVWJR-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCn2cccn2)c1O ZINC000846147243 729511404 /nfs/dbraw/zinc/51/14/04/729511404.db2.gz TWJGVYCNVYMXAM-NSHDSACASA-N 1 0 261.325 1.948 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2(CO)CC2)c1O ZINC000846149363 729537757 /nfs/dbraw/zinc/53/77/57/729537757.db2.gz YEVVPYGEMSVRLI-JTQLQIEISA-N 1 0 251.326 1.824 20 10 CDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000831177983 729572821 /nfs/dbraw/zinc/57/28/21/729572821.db2.gz HLXNXXSUOMPPFM-QWRGUYRKSA-N 1 0 264.373 1.236 20 10 CDCDRO COC(=O)c1cc(C[NH2+]CCc2ccc(N)cc2)c[nH]1 ZINC000841035203 729597362 /nfs/dbraw/zinc/59/73/62/729597362.db2.gz LJTCFMABZFHPHA-UHFFFAOYSA-N 1 0 273.336 1.716 20 10 CDCDRO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccccc1O ZINC000886734996 729602285 /nfs/dbraw/zinc/60/22/85/729602285.db2.gz UWVMKKSNIIBLNH-LLVKDONJSA-N 1 0 298.408 1.467 20 10 CDCDRO COc1ccc(C[NH2+]CCCCO)cc1Cn1cccn1 ZINC000873115264 729612241 /nfs/dbraw/zinc/61/22/41/729612241.db2.gz FJZGZBVWZCFADO-UHFFFAOYSA-N 1 0 289.379 1.802 20 10 CDCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850417626 729613374 /nfs/dbraw/zinc/61/33/74/729613374.db2.gz GHXAFTOQFKLOKM-MGCOHNPYSA-N 1 0 272.142 1.768 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000851681023 729646586 /nfs/dbraw/zinc/64/65/86/729646586.db2.gz LYBKIFXPRLSZBD-ZJUUUORDSA-N 1 0 281.356 1.369 20 10 CDCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000842224285 729660730 /nfs/dbraw/zinc/66/07/30/729660730.db2.gz BRXZQLNCDVTQRK-WCQYABFASA-N 1 0 273.760 1.657 20 10 CDCDRO Cc1noc(C2C[NH+](Cc3cc(C)ccc3O)C2)n1 ZINC000839131177 729667669 /nfs/dbraw/zinc/66/76/69/729667669.db2.gz OQBMNLGSPFLBAD-UHFFFAOYSA-N 1 0 259.309 1.991 20 10 CDCDRO COCCCN(C)CC[NH2+]Cc1c(C)cccc1O ZINC000877071940 729669016 /nfs/dbraw/zinc/66/90/16/729669016.db2.gz VGBYTNWCNDRXRG-UHFFFAOYSA-N 1 0 266.385 1.759 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)[C@@H]2CCNC2=O)c(O)c1 ZINC000799737393 729716950 /nfs/dbraw/zinc/71/69/50/729716950.db2.gz CXSPTUWDMFUAIU-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CCCC[NH3+])c1 ZINC000828667870 729759609 /nfs/dbraw/zinc/75/96/09/729759609.db2.gz VJBFFXYTGHFAJR-JTQLQIEISA-N 1 0 266.341 1.707 20 10 CDCDRO CN1CC[N@H+](Cc2cc(F)ccc2O)CCC1=O ZINC000827360048 729790050 /nfs/dbraw/zinc/79/00/50/729790050.db2.gz ZXHXNEOSEZCPQJ-UHFFFAOYSA-N 1 0 252.289 1.195 20 10 CDCDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCC(=O)N1 ZINC000835061725 729810776 /nfs/dbraw/zinc/81/07/76/729810776.db2.gz VKWDMXGUOXSUFB-CYBMUJFWSA-N 1 0 252.289 1.290 20 10 CDCDRO [O-]c1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)ccc(F)c1F ZINC000876619061 729811259 /nfs/dbraw/zinc/81/12/59/729811259.db2.gz NNIJMOSNYQIJQP-GFCCVEGCSA-N 1 0 298.333 1.577 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826084111 729840404 /nfs/dbraw/zinc/84/04/04/729840404.db2.gz UBWCHISIVFLKMG-SECBINFHSA-N 1 0 270.760 1.968 20 10 CDCDRO COc1ccc(CNC(=O)NC2CC[NH+](C)CC2)c(O)c1 ZINC000792790479 729884315 /nfs/dbraw/zinc/88/43/15/729884315.db2.gz RGWZUIKJMVLGIK-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO O=C1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@H]2N1 ZINC000827132760 729890629 /nfs/dbraw/zinc/89/06/29/729890629.db2.gz OFIFAWZOQHSRKG-ZWNOBZJWSA-N 1 0 278.327 1.632 20 10 CDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320117 729908819 /nfs/dbraw/zinc/90/88/19/729908819.db2.gz FOOYPTXVZMSLNM-UONOGXRCSA-N 1 0 291.420 1.203 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000776070299 729915428 /nfs/dbraw/zinc/91/54/28/729915428.db2.gz JTPYSZHCEYNCDL-JTQLQIEISA-N 1 0 262.313 1.171 20 10 CDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000776812585 729930951 /nfs/dbraw/zinc/93/09/51/729930951.db2.gz LIPDTFILXYFFGE-GDBMZVCRSA-N 1 0 295.379 1.611 20 10 CDCDRO Cc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)c(O)c1O ZINC000799026281 729971351 /nfs/dbraw/zinc/97/13/51/729971351.db2.gz GOPSRUAENNUHJI-UHFFFAOYSA-N 1 0 292.379 1.964 20 10 CDCDRO CCOC(=O)CN(CCOC1CC1)Cc1ccccc1O ZINC000930765105 729979695 /nfs/dbraw/zinc/97/96/95/729979695.db2.gz YGFUCSPPNNWQFV-UHFFFAOYSA-N 1 0 293.363 1.936 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000877352934 730008663 /nfs/dbraw/zinc/00/86/63/730008663.db2.gz MEFYXOXJJQQQDG-CYBMUJFWSA-N 1 0 289.379 1.737 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CCC(N)=O)cc1F ZINC000776931620 730019209 /nfs/dbraw/zinc/01/92/09/730019209.db2.gz FVPRZZYWOUWTHX-UHFFFAOYSA-N 1 0 267.348 1.637 20 10 CDCDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc2c(cc1O)OCO2 ZINC000111140883 730042846 /nfs/dbraw/zinc/04/28/46/730042846.db2.gz IQDBIGBMOJYFKD-UHFFFAOYSA-N 1 0 294.351 1.421 20 10 CDCDRO Cc1ccc(C[NH2+]CC2(C(N)=O)CCCC2)c(O)c1 ZINC000877150414 730069283 /nfs/dbraw/zinc/06/92/83/730069283.db2.gz RGHJPGLOAFHYHJ-UHFFFAOYSA-N 1 0 262.353 1.836 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709443 730073629 /nfs/dbraw/zinc/07/36/29/730073629.db2.gz GKJYPWIAHMNPJC-LBPRGKRZSA-N 1 0 276.384 1.433 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000237082501 730300108 /nfs/dbraw/zinc/30/01/08/730300108.db2.gz WFBVNJSNUJQRDR-HNNXBMFYSA-N 1 0 291.395 1.137 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000817366202 730356965 /nfs/dbraw/zinc/35/69/65/730356965.db2.gz QBUPUMWHGBXLKU-AWEZNQCLSA-N 1 0 262.353 1.719 20 10 CDCDRO CC[C@H](O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877111979 730384404 /nfs/dbraw/zinc/38/44/04/730384404.db2.gz PVVKNGCJPYDKMH-INIZCTEOSA-N 1 0 292.423 1.898 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000879647576 730419024 /nfs/dbraw/zinc/41/90/24/730419024.db2.gz FCRLGEQUFJBEJR-JHJVBQTASA-N 1 0 292.379 1.679 20 10 CDCDRO COC(C)(C)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000404271526 897174994 /nfs/dbraw/zinc/17/49/94/897174994.db2.gz LGSIJIZDXCSXQS-UHFFFAOYSA-N 1 0 267.325 1.978 20 10 CDCDRO Nc1ccc(NC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000328432091 899170786 /nfs/dbraw/zinc/17/07/86/899170786.db2.gz VVOQDCBBNHWVBL-UHFFFAOYSA-N 1 0 274.368 1.971 20 10 CDCDRO Oc1cc(Cl)c(F)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236288194 914877284 /nfs/dbraw/zinc/87/72/84/914877284.db2.gz GNWKZOMTIHYTAF-KCJUWKMLSA-N 1 0 256.708 1.588 20 10 CDCDRO Oc1c(O)c(O)c(OC2CC[NH+](C3CC3)CC2)c(O)c1O ZINC001226465972 905227938 /nfs/dbraw/zinc/22/79/38/905227938.db2.gz YCFRBJLKHBWNBT-UHFFFAOYSA-N 1 0 297.307 1.220 20 10 CDCDRO OCCOCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921982220 921231049 /nfs/dbraw/zinc/23/10/49/921231049.db2.gz DMLWOZNRJATDMO-UHFFFAOYSA-N 1 0 265.353 1.500 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000164688283 911374185 /nfs/dbraw/zinc/37/41/85/911374185.db2.gz PFRHIBRQKJXLBL-NSHDSACASA-N 1 0 256.733 1.205 20 10 CDCDRO [NH3+][C@H]1CC[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1F ZINC001206163296 911541368 /nfs/dbraw/zinc/54/13/68/911541368.db2.gz BKYJJIYBQUHALP-JQWIXIFHSA-N 1 0 256.296 1.793 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(N(C)C(C)=O)CC2)c1 ZINC000179877350 915405960 /nfs/dbraw/zinc/40/59/60/915405960.db2.gz JIWDVQAIZIPURY-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(Cl)ccc2O)C1 ZINC001206403742 916005285 /nfs/dbraw/zinc/00/52/85/916005285.db2.gz JBFGNBFPLADKOE-WDEREUQCSA-N 1 0 258.724 1.917 20 10 CDCDRO C[C@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180128822 916147743 /nfs/dbraw/zinc/14/77/43/916147743.db2.gz VWTFSNGKPQBRCX-RUNBWSAHSA-N 1 0 275.396 1.832 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138357768 936526126 /nfs/dbraw/zinc/52/61/26/936526126.db2.gz JQLPVBBYYYJRGM-UHFFFAOYSA-N 1 0 275.396 1.637 20 10 CDCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138495507 936543118 /nfs/dbraw/zinc/54/31/18/936543118.db2.gz KIIQDTPDBMFUEP-ZBFHGGJFSA-N 1 0 290.407 1.726 20 10 CDCDRO O=C(C[NH2+][C@H]1CCSC1)c1ccc(O)c(O)c1 ZINC001255271729 936590105 /nfs/dbraw/zinc/59/01/05/936590105.db2.gz GUKPXUBWIOCFIL-VIFPVBQESA-N 1 0 253.323 1.376 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1(CO)CC1 ZINC000827903747 936613228 /nfs/dbraw/zinc/61/32/28/936613228.db2.gz NRSVQXVOLJUVIZ-UHFFFAOYSA-N 1 0 276.380 1.480 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CC(F)(F)C3)cc2)CC1 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20 10 CDCDRO [O-]c1c(F)cc(Cl)cc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235063822 944037712 /nfs/dbraw/zinc/03/77/12/944037712.db2.gz QJPMHYQKCXODBI-CQSZACIVSA-N 1 0 299.777 1.322 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]32)c(Cl)c1 ZINC001235081145 944047540 /nfs/dbraw/zinc/04/75/40/944047540.db2.gz BXGVVIZNCASXLC-CHWSQXEVSA-N 1 0 282.771 1.990 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001236172114 944422315 /nfs/dbraw/zinc/42/23/15/944422315.db2.gz ATYXXRHANNRNIH-SNVBAGLBSA-N 1 0 290.285 1.866 20 10 CDCDRO CCc1ccc(CN2C[C@H]([NH3+])C[C@H]2C(=O)OC)c(O)c1 ZINC001236200962 944429163 /nfs/dbraw/zinc/42/91/63/944429163.db2.gz LABQTNQYDCTJCC-OLZOCXBDSA-N 1 0 278.352 1.029 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236291669 944449803 /nfs/dbraw/zinc/44/98/03/944449803.db2.gz OEYFUWZBXNHHRR-GXTWGEPZSA-N 1 0 261.369 1.165 20 10 CDCDRO [O-]c1c(Cl)cc(F)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236298137 944456280 /nfs/dbraw/zinc/45/62/80/944456280.db2.gz SWBSXTZPQDDHAP-GZMMTYOYSA-N 1 0 256.708 1.588 20 10 CDCDRO Oc1ccc2ccccc2c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236300055 944458392 /nfs/dbraw/zinc/45/83/92/944458392.db2.gz ZYFJALSWOASDFQ-DOMZBBRYSA-N 1 0 254.333 1.949 20 10 CDCDRO COc1cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)cc1O ZINC001236577863 944515138 /nfs/dbraw/zinc/51/51/38/944515138.db2.gz HXWWZOBPWGDLKD-UWVGGRQHSA-N 1 0 266.341 1.289 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cc1OC ZINC001236750348 944557933 /nfs/dbraw/zinc/55/79/33/944557933.db2.gz RGCROYXHFQLLLI-VXGBXAGGSA-N 1 0 299.342 1.704 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001236806936 944572996 /nfs/dbraw/zinc/57/29/96/944572996.db2.gz CWGUNEBZRYXCFI-HOTGVXAUSA-N 1 0 295.379 1.274 20 10 CDCDRO COc1cc(C)c(C[NH+]2CCN(C)CC2)c(O)c1 ZINC001236816996 944578175 /nfs/dbraw/zinc/57/81/75/944578175.db2.gz AUWHAFHWUUELAG-UHFFFAOYSA-N 1 0 250.342 1.457 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCCN(C)C(=O)C2)c(O)c1 ZINC001236812854 944578422 /nfs/dbraw/zinc/57/84/22/944578422.db2.gz FTNHSGZWXNTOMG-UHFFFAOYSA-N 1 0 278.352 1.373 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001236820506 944579902 /nfs/dbraw/zinc/57/99/02/944579902.db2.gz MIRKKEMCFXMYJE-RYUDHWBXSA-N 1 0 262.353 1.598 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)C[C@H]1O ZINC001236827998 944584189 /nfs/dbraw/zinc/58/41/89/944584189.db2.gz YWJJHNRUSCZRLH-GDBMZVCRSA-N 1 0 273.332 1.330 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001237049119 944646716 /nfs/dbraw/zinc/64/67/16/944646716.db2.gz DSPQIRQJAFRMMI-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(O)c1O ZINC001237384795 944740903 /nfs/dbraw/zinc/74/09/03/944740903.db2.gz YOEFYQNBHBABAE-OLZOCXBDSA-N 1 0 292.379 1.680 20 10 CDCDRO CC(=O)N1CC[N@H+](Cc2c(C)cccc2O)[C@@H](C)C1 ZINC001237493508 944813191 /nfs/dbraw/zinc/81/31/91/944813191.db2.gz YQJJECMVKPTUEK-LBPRGKRZSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)c(OC)c1 ZINC001237677736 944921127 /nfs/dbraw/zinc/92/11/27/944921127.db2.gz HSGJIHGMQBGDQT-WDBKCZKBSA-N 1 0 293.363 1.876 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001238059490 945045309 /nfs/dbraw/zinc/04/53/09/945045309.db2.gz DDEHUTMCDORLHA-MFKMUULPSA-N 1 0 269.316 1.015 20 10 CDCDRO Cn1ccc(-c2ccc3c(C4C[NH2+]C4)ncn3c2)cc1=O ZINC001240985316 946128766 /nfs/dbraw/zinc/12/87/66/946128766.db2.gz AROXUMIHKKOQAV-UHFFFAOYSA-N 1 0 280.331 1.387 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262577385 946728811 /nfs/dbraw/zinc/72/88/11/946728811.db2.gz OXRNLLGBYMOCAV-LSDHHAIUSA-N 1 0 290.411 1.941 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001257028060 948485054 /nfs/dbraw/zinc/48/50/54/948485054.db2.gz QAEWKAHSRVLTHL-ZYHUDNBSSA-N 1 0 279.336 1.919 20 10 CDCDRO COC(=O)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001258354497 948777199 /nfs/dbraw/zinc/77/71/99/948777199.db2.gz AJRZDLZHQBWUQA-SECBINFHSA-N 1 0 253.298 1.529 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC001249171791 949435195 /nfs/dbraw/zinc/43/51/95/949435195.db2.gz FUZDVWMOLMHNBW-CQSZACIVSA-N 1 0 293.363 1.455 20 10 CDCDRO Cc1cc(C)c(C[NH2+]C[C@H](O)C(=O)OC(C)(C)C)c(O)c1 ZINC001253707333 952052430 /nfs/dbraw/zinc/05/24/30/952052430.db2.gz YEMBZSTZIIVBQA-AWEZNQCLSA-N 1 0 295.379 1.801 20 10 CDCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CNCCO1 ZINC001326074028 954206758 /nfs/dbraw/zinc/20/67/58/954206758.db2.gz DLMWOMQWEISART-MRXNPFEDSA-N 1 0 275.396 1.365 20 10 CDCDRO COC[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335133220 954476599 /nfs/dbraw/zinc/47/65/99/954476599.db2.gz FLWUIGOVFKFZSF-XJKSGUPXSA-N 1 0 279.428 1.980 20 10 CDCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1COCCN1 ZINC001329224375 955761908 /nfs/dbraw/zinc/76/19/08/955761908.db2.gz XFEGNUYVBOVFPY-OAHLLOKOSA-N 1 0 275.396 1.365 20 10 CDCDRO [NH3+]Cc1nccnc1NCc1ccc2cccnc2c1O ZINC001307146660 956371822 /nfs/dbraw/zinc/37/18/22/956371822.db2.gz VTBSZMBIZCTJJQ-UHFFFAOYSA-N 1 0 281.319 1.801 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c(O)c1OC ZINC001334167132 958897999 /nfs/dbraw/zinc/89/79/99/958897999.db2.gz CFABEXFEULUAAS-GFCCVEGCSA-N 1 0 292.379 1.736 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001335490570 959842770 /nfs/dbraw/zinc/84/27/70/959842770.db2.gz HUSUNZRFIGSOHT-XHDPSFHLSA-N 1 0 288.395 1.551 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)NCCF ZINC001321696631 959910403 /nfs/dbraw/zinc/91/04/03/959910403.db2.gz RTEQBUCUPJTWFV-CYBMUJFWSA-N 1 0 293.386 1.851 20 10 CDCDRO C[NH+]1CCC(CC(=O)NCc2cccc(O)c2O)CC1 ZINC001350300897 966629084 /nfs/dbraw/zinc/62/90/84/966629084.db2.gz ZRJMBSOYAQYMNY-UHFFFAOYSA-N 1 0 278.352 1.446 20 10 CDCDRO COc1cccc(CNC(=O)N[C@H](C)CC[NH+](C)C)c1O ZINC000073906807 345583809 /nfs/dbraw/zinc/58/38/09/345583809.db2.gz NMQIDAASUQZRCK-LLVKDONJSA-N 1 0 295.383 1.540 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCN(CCO)CC2)cc1C ZINC000298591671 356902630 /nfs/dbraw/zinc/90/26/30/356902630.db2.gz IODINTWDLXAPAM-UHFFFAOYSA-N 1 0 264.369 1.119 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000180405749 357268006 /nfs/dbraw/zinc/26/80/06/357268006.db2.gz NVXBZSRFPGSZJY-GFCCVEGCSA-N 1 0 291.269 1.900 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000188341255 357882348 /nfs/dbraw/zinc/88/23/48/357882348.db2.gz AGIOCKOAVTXEAR-XJKSGUPXSA-N 1 0 278.396 1.988 20 10 CDCDRO Cc1cc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)ccc1N(C)C ZINC000294417015 199031499 /nfs/dbraw/zinc/03/14/99/199031499.db2.gz DGJQNRKAFOSQGF-UONOGXRCSA-N 1 0 280.412 1.625 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)CC(=O)NC2CC2)cc1C ZINC000111941920 359274221 /nfs/dbraw/zinc/27/42/21/359274221.db2.gz PZAWBJKIONZWNL-UHFFFAOYSA-N 1 0 262.353 1.719 20 10 CDCDRO COCC[C@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297823351 200287364 /nfs/dbraw/zinc/28/73/64/200287364.db2.gz RLNAPYRXOLTZEF-DOMZBBRYSA-N 1 0 265.353 1.757 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2)c(O)c1 ZINC000530228165 361497684 /nfs/dbraw/zinc/49/76/84/361497684.db2.gz YCUHKWLPBQQEPF-VXGBXAGGSA-N 1 0 250.342 1.340 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000268499910 364056111 /nfs/dbraw/zinc/05/61/11/364056111.db2.gz XBVNUUOFCHGBTM-OAHLLOKOSA-N 1 0 293.319 1.506 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282462238 364113533 /nfs/dbraw/zinc/11/35/33/364113533.db2.gz VSDJFGIHMIRNIG-DGIBIBHMSA-N 1 0 283.393 1.963 20 10 CDCDRO CC[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272347675 365199929 /nfs/dbraw/zinc/19/99/29/365199929.db2.gz AKZUHENSADIFOG-FNORWQNLSA-N 1 0 290.363 1.665 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000172119250 365474860 /nfs/dbraw/zinc/47/48/60/365474860.db2.gz ZHUXYJAHIOKUHA-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273619338 365513871 /nfs/dbraw/zinc/51/38/71/365513871.db2.gz YOENXKOAIKXVNM-GXSJLCMTSA-N 1 0 292.335 1.060 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1C ZINC000273578092 365508339 /nfs/dbraw/zinc/50/83/39/365508339.db2.gz MDVGDMLHNYJAIR-NWDGAFQWSA-N 1 0 262.353 1.890 20 10 CDCDRO Cn1nncc1C[NH2+]Cc1cc(Br)ccc1O ZINC000288377818 366955290 /nfs/dbraw/zinc/95/52/90/366955290.db2.gz FRSKFDDVKAIDIL-UHFFFAOYSA-N 1 0 297.156 1.573 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)NCCF)cc1C ZINC000282535340 367930401 /nfs/dbraw/zinc/93/04/01/367930401.db2.gz BSYBBCWXKJRYKW-NSHDSACASA-N 1 0 268.332 1.573 20 10 CDCDRO CC[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295357199 371235709 /nfs/dbraw/zinc/23/57/09/371235709.db2.gz IVJIYQMWQLZPQI-UHFFFAOYSA-N 1 0 282.315 1.451 20 10 CDCDRO C[NH+](C)C[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000128063484 375101254 /nfs/dbraw/zinc/10/12/54/375101254.db2.gz HGMBSWMFNTXFHO-ZDUSSCGKSA-N 1 0 284.787 1.808 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)[C@@H](C)CO)c1O ZINC000293575935 378575393 /nfs/dbraw/zinc/57/53/93/378575393.db2.gz HIDQQASSDXQTRJ-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO C[NH2+][C@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418099457 532990215 /nfs/dbraw/zinc/99/02/15/532990215.db2.gz NKITWGGODGYOSV-LLVKDONJSA-N 1 0 288.395 1.894 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCc1nnc[nH]1 ZINC000119082191 390840373 /nfs/dbraw/zinc/84/03/73/390840373.db2.gz BYJJUHAUDNMPCD-UHFFFAOYSA-N 1 0 252.705 1.496 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000168733677 390936959 /nfs/dbraw/zinc/93/69/59/390936959.db2.gz XJNFRORYRIYVIW-LLVKDONJSA-N 1 0 262.353 1.877 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC)c1O ZINC000133054354 390900921 /nfs/dbraw/zinc/90/09/21/390900921.db2.gz PBSFOVKNXXCWKE-ZDUSSCGKSA-N 1 0 292.379 1.891 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCN(C)C(=O)C2(C)C)c1 ZINC000093642732 390903939 /nfs/dbraw/zinc/90/39/39/390903939.db2.gz FBSWAYXNIWBBFS-UHFFFAOYSA-N 1 0 262.353 1.753 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000373143293 391107826 /nfs/dbraw/zinc/10/78/26/391107826.db2.gz WSJIKSSHOUMUGV-HIFRSBDPSA-N 1 0 281.327 1.959 20 10 CDCDRO COc1cccc(C[NH2+]C[C@](C)(O)c2ccco2)c1O ZINC000174531487 391124026 /nfs/dbraw/zinc/12/40/26/391124026.db2.gz ZDKIMGCLDWOSME-HNNXBMFYSA-N 1 0 277.320 1.991 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000178710882 391190583 /nfs/dbraw/zinc/19/05/83/391190583.db2.gz YTCMOHMVRZNVSG-HNNXBMFYSA-N 1 0 273.380 1.655 20 10 CDCDRO CO[C@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000182022210 391230285 /nfs/dbraw/zinc/23/02/85/391230285.db2.gz OOXMELGGLSOLJJ-CQSZACIVSA-N 1 0 278.396 1.990 20 10 CDCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000125561588 391260645 /nfs/dbraw/zinc/26/06/45/391260645.db2.gz KNYOMDZVZUDCGJ-AYLIAGHASA-N 1 0 285.365 1.368 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000372691655 391861181 /nfs/dbraw/zinc/86/11/81/391861181.db2.gz RNYQENHVLCHKTR-HNNXBMFYSA-N 1 0 276.336 1.775 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NC(C)C)c1 ZINC000135728486 393309497 /nfs/dbraw/zinc/30/94/97/393309497.db2.gz DHVOKBWOIZYMMH-LLVKDONJSA-N 1 0 280.368 1.966 20 10 CDCDRO CC[C@@H]([NH2+][C@H](CO)CCOC)c1ccccc1O ZINC000281711812 286930605 /nfs/dbraw/zinc/93/06/05/286930605.db2.gz UAZLHSFMKHKGLD-WCQYABFASA-N 1 0 253.342 1.830 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299548669 263246394 /nfs/dbraw/zinc/24/63/94/263246394.db2.gz QEDDYZLZRDDOSF-MRXNPFEDSA-N 1 0 287.407 1.997 20 10 CDCDRO C[C@@H]([NH2+]CCO)c1cc(Br)ccc1O ZINC000134835101 264535315 /nfs/dbraw/zinc/53/53/15/264535315.db2.gz AXESBTRPYHTBQV-SSDOTTSWSA-N 1 0 260.131 1.798 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000367358439 266638706 /nfs/dbraw/zinc/63/87/06/266638706.db2.gz KNONNYPHZANUAL-UHFFFAOYSA-N 1 0 273.380 1.413 20 10 CDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000368964116 267215603 /nfs/dbraw/zinc/21/56/03/267215603.db2.gz DZOPDELIIOKQEW-IUPBHXKESA-N 1 0 278.327 1.617 20 10 CDCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000371325224 267390091 /nfs/dbraw/zinc/39/00/91/267390091.db2.gz CMALCPNUIGCNCF-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193687581 276375007 /nfs/dbraw/zinc/37/50/07/276375007.db2.gz SARGMFAFNGRNSK-IINYFYTJSA-N 1 0 278.352 1.405 20 10 CDCDRO COC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)OC ZINC000296604390 277591350 /nfs/dbraw/zinc/59/13/50/277591350.db2.gz XXZRNLOOFOXEQG-NWDGAFQWSA-N 1 0 251.326 1.631 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228672570 329344258 /nfs/dbraw/zinc/34/42/58/329344258.db2.gz KJTYPUNAWUAJDX-UHFFFAOYSA-N 1 0 272.732 1.280 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000530223202 333529018 /nfs/dbraw/zinc/52/90/18/333529018.db2.gz HFJFPOPZCRZGPN-RYUDHWBXSA-N 1 0 250.342 1.340 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1O ZINC000124860526 1159509921 /nfs/dbraw/zinc/50/99/21/1159509921.db2.gz FZEYJCBKBBEUJK-GFCCVEGCSA-N 1 0 269.366 1.367 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(N)=O)cc1F ZINC000289691823 520890955 /nfs/dbraw/zinc/89/09/55/520890955.db2.gz OIDHYOGMHKZNML-UHFFFAOYSA-N 1 0 281.375 1.979 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1F ZINC000278355230 520895896 /nfs/dbraw/zinc/89/58/96/520895896.db2.gz IZTOYJAMFRUJGT-GJZGRUSLSA-N 1 0 282.359 1.209 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)COC)cc1F ZINC000279855638 520910218 /nfs/dbraw/zinc/91/02/18/520910218.db2.gz SDQPPQQDMZGQLP-ZDUSSCGKSA-N 1 0 284.375 1.769 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000292490457 521151714 /nfs/dbraw/zinc/15/17/14/521151714.db2.gz BMGZVPGVDUZMAT-KGLIPLIRSA-N 1 0 281.352 1.420 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCCc2cnn(C)n2)c1 ZINC000292875721 521152088 /nfs/dbraw/zinc/15/20/88/521152088.db2.gz DPFKLZYDBQTNAU-UHFFFAOYSA-N 1 0 290.367 1.642 20 10 CDCDRO CN(C)c1ccc(CN(C)CC[NH+](C)C)cc1F ZINC000289777910 521748299 /nfs/dbraw/zinc/74/82/99/521748299.db2.gz LAPSWGOEZHTSQN-UHFFFAOYSA-N 1 0 253.365 1.885 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1F ZINC000237081941 522188335 /nfs/dbraw/zinc/18/83/35/522188335.db2.gz NDCSWHOPQKENTI-UHFFFAOYSA-N 1 0 293.386 1.898 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H](O)C2CC2)cc1OC ZINC000289536282 522781489 /nfs/dbraw/zinc/78/14/89/522781489.db2.gz WMMXUCQTHIEGOR-LBPRGKRZSA-N 1 0 267.325 1.270 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000061377492 523608053 /nfs/dbraw/zinc/60/80/53/523608053.db2.gz GJNJXKCQECFGDX-UHFFFAOYSA-N 1 0 264.369 1.289 20 10 CDCDRO COCCOCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000044424102 524010571 /nfs/dbraw/zinc/01/05/71/524010571.db2.gz CEIPEACSKCREFO-UHFFFAOYSA-N 1 0 251.326 1.374 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280305118 525350314 /nfs/dbraw/zinc/35/03/14/525350314.db2.gz NYXFYEVFMVBJKY-JSGCOSHPSA-N 1 0 265.353 1.435 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801754 525486378 /nfs/dbraw/zinc/48/63/78/525486378.db2.gz RSIGQQIYGCUPFT-RHSMWYFYSA-N 1 0 290.455 1.649 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCOC1 ZINC000725847685 574444150 /nfs/dbraw/zinc/44/41/50/574444150.db2.gz QFJFEVXRXBXMSV-NSHDSACASA-N 1 0 251.326 1.917 20 10 CDCDRO C[N@H+](CCCCO)Cc1ccc(N2CCOCC2)cc1 ZINC000728387807 574631889 /nfs/dbraw/zinc/63/18/89/574631889.db2.gz NFUKSSVNCPXMPK-UHFFFAOYSA-N 1 0 278.396 1.728 20 10 CDCDRO C[NH+](C)[C@@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000732274760 575085656 /nfs/dbraw/zinc/08/56/56/575085656.db2.gz YSYOGLZEYICZEX-JTQLQIEISA-N 1 0 254.355 1.524 20 10 CDCDRO CCOc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC000772597538 575726635 /nfs/dbraw/zinc/72/66/35/575726635.db2.gz APJAKCRFNHQQPY-OAHLLOKOSA-N 1 0 294.395 1.553 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CCO)CCCOC)cc1 ZINC000773889408 575843182 /nfs/dbraw/zinc/84/31/82/575843182.db2.gz UWXOJVSJLVXWQL-UHFFFAOYSA-N 1 0 280.412 1.974 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000765798045 576056946 /nfs/dbraw/zinc/05/69/46/576056946.db2.gz UKVWZQSVAHZLRZ-QWHCGFSZSA-N 1 0 262.353 1.705 20 10 CDCDRO COCCN1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768220979 576265698 /nfs/dbraw/zinc/26/56/98/576265698.db2.gz VQCUYQVAGUXJTI-UHFFFAOYSA-N 1 0 280.368 1.165 20 10 CDCDRO COCC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)C ZINC000768441829 576283703 /nfs/dbraw/zinc/28/37/03/576283703.db2.gz OGEBJBRGYOJRPV-HNNXBMFYSA-N 1 0 295.379 1.922 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000769301588 576343697 /nfs/dbraw/zinc/34/36/97/576343697.db2.gz XGASBVMWVGDBMQ-UHFFFAOYSA-N 1 0 293.363 1.986 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c(O)c1 ZINC000769402934 576352329 /nfs/dbraw/zinc/35/23/29/576352329.db2.gz FAJSSMXBQFGOBT-ZDUSSCGKSA-N 1 0 292.379 1.749 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1 ZINC000762570001 576655036 /nfs/dbraw/zinc/65/50/36/576655036.db2.gz VPSTWTOAJAQGJU-KRWDZBQOSA-N 1 0 291.439 1.689 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000753858994 576863158 /nfs/dbraw/zinc/86/31/58/576863158.db2.gz YVPOBHWICASKEE-ZDUSSCGKSA-N 1 0 294.370 1.993 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCCNc1ncccn1 ZINC000751507693 577046466 /nfs/dbraw/zinc/04/64/66/577046466.db2.gz RZMMIWBCXAKIAS-UHFFFAOYSA-N 1 0 288.351 1.783 20 10 CDCDRO COCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253421 617391597 /nfs/dbraw/zinc/39/15/97/617391597.db2.gz SJNJJIPJLBEXGB-OAHLLOKOSA-N 1 0 293.411 1.508 20 10 CDCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000892475446 617403659 /nfs/dbraw/zinc/40/36/59/617403659.db2.gz HVTMKJVCOYBESW-LLVKDONJSA-N 1 0 250.342 1.794 20 10 CDCDRO COc1ccc(C[N@H+](CCO)C(C)C)c(O)c1OC ZINC000891485789 617437274 /nfs/dbraw/zinc/43/72/74/617437274.db2.gz UNMULGFEBJTMRK-UHFFFAOYSA-N 1 0 269.341 1.612 20 10 CDCDRO C[NH2+]CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000891962503 617894476 /nfs/dbraw/zinc/89/44/76/617894476.db2.gz LMQFILZSVWGDOM-SNVBAGLBSA-N 1 0 251.330 1.362 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)CCO)c(O)c1OC ZINC000893081391 618137193 /nfs/dbraw/zinc/13/71/93/618137193.db2.gz CXGYUBQCAWLVOH-JTQLQIEISA-N 1 0 269.341 1.518 20 10 CDCDRO COc1cc(C)cc(C[N@@H+](CC(N)=O)CC(C)C)c1O ZINC000893953415 618220263 /nfs/dbraw/zinc/22/02/63/618220263.db2.gz VGYABPKZILJNEA-UHFFFAOYSA-N 1 0 280.368 1.653 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893994168 618235556 /nfs/dbraw/zinc/23/55/56/618235556.db2.gz BHEFASBZHQFPBX-MRVPVSSYSA-N 1 0 273.279 1.911 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000795582148 618390655 /nfs/dbraw/zinc/39/06/55/618390655.db2.gz IWAXQVGWGXFCFC-OLZOCXBDSA-N 1 0 281.352 1.135 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC1CC[NH2+]CC1 ZINC000841828112 618639197 /nfs/dbraw/zinc/63/91/97/618639197.db2.gz RDSDZRQPIUODQT-UHFFFAOYSA-N 1 0 290.411 1.612 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnn(CCF)c2)c(O)c1 ZINC000894185526 618672899 /nfs/dbraw/zinc/67/28/99/618672899.db2.gz PTLGYTBPYFQCGL-UHFFFAOYSA-N 1 0 279.315 1.857 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCCO)c1O ZINC000894352184 618811970 /nfs/dbraw/zinc/81/19/70/618811970.db2.gz LFBYFDXVOARDEM-LLVKDONJSA-N 1 0 253.342 1.960 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H]1OC ZINC000894466944 618903023 /nfs/dbraw/zinc/90/30/23/618903023.db2.gz QFMNWUMNPWWEOQ-BZPMIXESSA-N 1 0 287.306 1.952 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000894541527 618951370 /nfs/dbraw/zinc/95/13/70/618951370.db2.gz RRCHUNLQPGKVHJ-AAEUAGOBSA-N 1 0 265.353 1.960 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894542064 618952125 /nfs/dbraw/zinc/95/21/25/618952125.db2.gz WSRWLMQIKMDSQX-NSHDSACASA-N 1 0 280.368 1.666 20 10 CDCDRO COc1ccc(C[NH+]2CC3(C2)CCOC3)c(O)c1OC ZINC000894650153 619005063 /nfs/dbraw/zinc/00/50/63/619005063.db2.gz XWJUDDZBHDXINI-UHFFFAOYSA-N 1 0 279.336 1.632 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCO[C@H]1CCCCO1)OCO2 ZINC000894798779 619063448 /nfs/dbraw/zinc/06/34/48/619063448.db2.gz IDTQDNNINKLSCJ-HNNXBMFYSA-N 1 0 295.335 1.754 20 10 CDCDRO COCC1([NH2+]Cc2cc(C)cc(OC)c2O)CCOCC1 ZINC000894856559 619102150 /nfs/dbraw/zinc/10/21/50/619102150.db2.gz YAQYONPXHHTOBR-UHFFFAOYSA-N 1 0 295.379 1.994 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2COC[C@@H]2C)cc1OC ZINC000896738089 620219074 /nfs/dbraw/zinc/21/90/74/620219074.db2.gz YEZKPDIRXZYPTH-GXSJLCMTSA-N 1 0 267.325 1.534 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CC(N3CCCC3=O)C2)c1 ZINC000897786705 621122190 /nfs/dbraw/zinc/12/21/90/621122190.db2.gz WHXCKYUOWXLHEC-UHFFFAOYSA-N 1 0 260.337 1.507 20 10 CDCDRO COC[C@@]1(CNCc2ccc3c(c2)CCO3)CCC[NH2+]1 ZINC000841067694 621702476 /nfs/dbraw/zinc/70/24/76/621702476.db2.gz ONZDFIGOBPTFKF-INIZCTEOSA-N 1 0 276.380 1.480 20 10 CDCDRO CCOc1cccc(CN[C@H](CC[NH3+])C(F)F)c1O ZINC000841075028 625845030 /nfs/dbraw/zinc/84/50/30/625845030.db2.gz UOMZNXHXBGYLQV-SNVBAGLBSA-N 1 0 274.311 1.863 20 10 CDCDRO C[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(N)cc1 ZINC000911782456 629499502 /nfs/dbraw/zinc/49/95/02/629499502.db2.gz JMVHEHXELGLTBU-NSHDSACASA-N 1 0 272.352 1.529 20 10 CDCDRO CSCC[C@H]([NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000911783232 629500229 /nfs/dbraw/zinc/50/02/29/629500229.db2.gz RMZBBXULEBCZLL-ZDUSSCGKSA-N 1 0 281.425 1.398 20 10 CDCDRO CCOc1cccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000156393789 630553762 /nfs/dbraw/zinc/55/37/62/630553762.db2.gz IAKWVHRIEWHOCA-RISCZKNCSA-N 1 0 280.368 1.339 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921732412 633248511 /nfs/dbraw/zinc/24/85/11/633248511.db2.gz MULBTXCGZBHSSL-HNNXBMFYSA-N 1 0 265.353 1.499 20 10 CDCDRO C[S@@](=O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921751836 633265879 /nfs/dbraw/zinc/26/58/79/633265879.db2.gz LCPFGIJSHPEYQG-GOSISDBHSA-N 1 0 267.394 1.870 20 10 CDCDRO CN1CCc2cc(N(CC[NH3+])c3cccnc3)ccc2C1=O ZINC001168837422 1161989909 /nfs/dbraw/zinc/98/99/09/1161989909.db2.gz IIBYWNLXZCVUEM-UHFFFAOYSA-N 1 0 296.374 1.807 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2ccccc2O)C1 ZINC000813327827 1163873372 /nfs/dbraw/zinc/87/33/72/1163873372.db2.gz KRCYZMXTAAZATJ-UHFFFAOYSA-N 1 0 250.298 1.323 20 10 CDCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])nc1 ZINC001578368898 1171886654 /nfs/dbraw/zinc/88/66/54/1171886654.db2.gz WVKQQHZMVZLDBV-SECBINFHSA-N 1 0 262.269 1.000 20 10 CDCDRO C[N@H+](Cc1ccc(N)cc1)C1CCS(=O)CC1 ZINC001578489817 1171933883 /nfs/dbraw/zinc/93/38/83/1171933883.db2.gz NTGSJTYAQYCQEK-UHFFFAOYSA-N 1 0 252.383 1.612 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001579399448 1172167717 /nfs/dbraw/zinc/16/77/17/1172167717.db2.gz SIXLHAFWPSMMPM-GFCCVEGCSA-N 1 0 275.396 1.981 20 10 CDCDRO [NH3+]C[C@]12CC[C@@H]1CCN2Cc1cc(F)c(F)cc1O ZINC001580253230 1172385450 /nfs/dbraw/zinc/38/54/50/1172385450.db2.gz JHVVDLYWXSRJTE-QMTHXVAHSA-N 1 0 268.307 1.984 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882513 730426144 /nfs/dbraw/zinc/42/61/44/730426144.db2.gz JSNUMIRXZHPDSJ-NEPJUHHUSA-N 1 0 278.400 1.708 20 10 CDCDRO CN(C)C(=[NH2+])NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000849039596 730439471 /nfs/dbraw/zinc/43/94/71/730439471.db2.gz IGWXBIMBSKWGHC-UHFFFAOYSA-N 1 0 298.337 1.387 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2cccn2)c1 ZINC000049074698 730443076 /nfs/dbraw/zinc/44/30/76/730443076.db2.gz DSGJBHFLDVIZGB-NSHDSACASA-N 1 0 261.325 1.948 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000817996826 730456645 /nfs/dbraw/zinc/45/66/45/730456645.db2.gz LZYGKGCFBLPGAH-MJVIPROJSA-N 1 0 292.379 1.966 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000842912773 730461134 /nfs/dbraw/zinc/46/11/34/730461134.db2.gz VXZNWLJLSFSXRG-RLCGTCKNSA-N 1 0 255.289 1.596 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000877617948 730464178 /nfs/dbraw/zinc/46/41/78/730464178.db2.gz AHTWWWPMEYKBLA-LLVKDONJSA-N 1 0 272.352 1.476 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597638 730465475 /nfs/dbraw/zinc/46/54/75/730465475.db2.gz RLYSRFBINJGCCK-WCQYABFASA-N 1 0 288.391 1.885 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000876541643 730490803 /nfs/dbraw/zinc/49/08/03/730490803.db2.gz DBLSGOUHWRRXQL-UHFFFAOYSA-N 1 0 274.364 1.755 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)c1O ZINC000846160359 730541817 /nfs/dbraw/zinc/54/18/17/730541817.db2.gz UPEWVEFJTYBAJQ-VIFPVBQESA-N 1 0 266.341 1.563 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2cnccn2)c1 ZINC000776066459 730559181 /nfs/dbraw/zinc/55/91/81/730559181.db2.gz SALLFTIRJPMFGP-LLVKDONJSA-N 1 0 273.336 1.912 20 10 CDCDRO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000323329721 730559430 /nfs/dbraw/zinc/55/94/30/730559430.db2.gz VNPLIVRMIVQSQR-HZPDHXFCSA-N 1 0 276.380 1.526 20 10 CDCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000777219966 730563767 /nfs/dbraw/zinc/56/37/67/730563767.db2.gz OKQSCXRECSWQDR-ZFWWWQNUSA-N 1 0 299.342 1.441 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN1Cc1cccc(OC)c1O ZINC000133012117 730593684 /nfs/dbraw/zinc/59/36/84/730593684.db2.gz RGTFPTKHMCGBDW-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccccc1O ZINC000858599770 730602821 /nfs/dbraw/zinc/60/28/21/730602821.db2.gz PWXHGOJUQSKOBQ-NEPJUHHUSA-N 1 0 250.342 1.109 20 10 CDCDRO CN(C(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(N)cc1 ZINC000877074445 730633037 /nfs/dbraw/zinc/63/30/37/730633037.db2.gz KPCNWRFYGILGMB-UHFFFAOYSA-N 1 0 287.367 1.304 20 10 CDCDRO C[NH+](C)C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000841455168 730663029 /nfs/dbraw/zinc/66/30/29/730663029.db2.gz KGNOJJKSWVIQOS-XQRVVYSFSA-N 1 0 276.336 1.321 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])CC(F)F)ccc21 ZINC000827913885 730699872 /nfs/dbraw/zinc/69/98/72/730699872.db2.gz RICAVYNITDDPCL-LBPRGKRZSA-N 1 0 297.349 1.668 20 10 CDCDRO OCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000160086944 730743511 /nfs/dbraw/zinc/74/35/11/730743511.db2.gz FUMXJLNMMHDHDW-UHFFFAOYSA-N 1 0 279.336 1.763 20 10 CDCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(=O)N(C)C ZINC000094617128 730856829 /nfs/dbraw/zinc/85/68/29/730856829.db2.gz IUXPEGPWHQWBRY-RKDXNWHRSA-N 1 0 254.305 1.659 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858154949 730882830 /nfs/dbraw/zinc/88/28/30/730882830.db2.gz WNZIWQSGAWSKLS-LLVKDONJSA-N 1 0 288.338 1.518 20 10 CDCDRO C[NH2+]CCN(C)C(=O)NCCCSc1nccs1 ZINC000841855540 730976949 /nfs/dbraw/zinc/97/69/49/730976949.db2.gz ATVZBQFODMYFHP-UHFFFAOYSA-N 1 0 288.442 1.486 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877555742 730980161 /nfs/dbraw/zinc/98/01/61/730980161.db2.gz ADVVWLRSBSMYCK-HNNXBMFYSA-N 1 0 292.423 1.850 20 10 CDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CNCCO2)c1O ZINC000817983003 731007151 /nfs/dbraw/zinc/00/71/51/731007151.db2.gz JKZUBDMPVPUDCP-JQWIXIFHSA-N 1 0 284.787 1.993 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000846092344 731075606 /nfs/dbraw/zinc/07/56/06/731075606.db2.gz CRTBDDJUTCJDNE-ZDUSSCGKSA-N 1 0 293.386 1.850 20 10 CDCDRO COCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000152092271 731090912 /nfs/dbraw/zinc/09/09/12/731090912.db2.gz XOWAJOMZUABGTD-CYBMUJFWSA-N 1 0 264.369 1.820 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(C)cc1O ZINC000876526290 731131892 /nfs/dbraw/zinc/13/18/92/731131892.db2.gz RUHBNZFCLUFFMB-UHFFFAOYSA-N 1 0 253.342 1.795 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000852920449 731136733 /nfs/dbraw/zinc/13/67/33/731136733.db2.gz BTTOEXUZIFCGKM-NSHDSACASA-N 1 0 286.379 1.827 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000843049543 731185065 /nfs/dbraw/zinc/18/50/65/731185065.db2.gz PITRSTUAFJCBKV-TXEJJXNPSA-N 1 0 264.369 1.973 20 10 CDCDRO C[C@H]([NH3+])CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356122 731231082 /nfs/dbraw/zinc/23/10/82/731231082.db2.gz GEEJTWITIMSWMS-JSGCOSHPSA-N 1 0 264.369 1.720 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3C)C[C@@H]21 ZINC000840950052 731241342 /nfs/dbraw/zinc/24/13/42/731241342.db2.gz IXHZFYYYOACUAO-ZSHCYNCHSA-N 1 0 288.391 1.912 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCOCCO)c1O ZINC000846138539 731324193 /nfs/dbraw/zinc/32/41/93/731324193.db2.gz WARIXYDICPQBFF-JTQLQIEISA-N 1 0 255.314 1.060 20 10 CDCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305842875 731328031 /nfs/dbraw/zinc/32/80/31/731328031.db2.gz HNFRVFZPMQZTOP-ZBFHGGJFSA-N 1 0 290.407 1.726 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000104901002 731329991 /nfs/dbraw/zinc/32/99/91/731329991.db2.gz RYONOWQHLZZYIR-MFKMUULPSA-N 1 0 278.352 1.672 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846145183 731427264 /nfs/dbraw/zinc/42/72/64/731427264.db2.gz LVGVCPSQQDNOHB-QWHCGFSZSA-N 1 0 294.395 1.772 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000841941145 731432296 /nfs/dbraw/zinc/43/22/96/731432296.db2.gz KWMUPRZQLUXAGL-NXEZZACHSA-N 1 0 279.340 1.123 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1 ZINC000848565645 731435187 /nfs/dbraw/zinc/43/51/87/731435187.db2.gz KNJCGKOAFCVFDL-GFCCVEGCSA-N 1 0 272.352 1.476 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)CCCC[NH3+] ZINC000829764470 731446243 /nfs/dbraw/zinc/44/62/43/731446243.db2.gz MEILQTQCNQNDJB-UHFFFAOYSA-N 1 0 263.385 1.806 20 10 CDCDRO CCCN1C[C@H](C[NH2+]Cc2ccccc2O)CC1=O ZINC000817410848 731494395 /nfs/dbraw/zinc/49/43/95/731494395.db2.gz INFOMGDBVFEMAE-LBPRGKRZSA-N 1 0 262.353 1.740 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@H]2OC)c1 ZINC000842908477 731503311 /nfs/dbraw/zinc/50/33/11/731503311.db2.gz CJVGDUOKCVJHBI-MRCXROJRSA-N 1 0 267.325 1.465 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000790999266 731536669 /nfs/dbraw/zinc/53/66/69/731536669.db2.gz DBCFEHWRVWYVFC-LLVKDONJSA-N 1 0 279.258 1.804 20 10 CDCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000808422826 731558549 /nfs/dbraw/zinc/55/85/49/731558549.db2.gz DAMCYFKHYSKPJN-ZDUSSCGKSA-N 1 0 295.402 1.702 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c(O)c1 ZINC000788270365 731561436 /nfs/dbraw/zinc/56/14/36/731561436.db2.gz RHNFAEMHKXRDPA-CMPLNLGQSA-N 1 0 251.326 1.746 20 10 CDCDRO CCOc1ccc(O)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000843421212 731574643 /nfs/dbraw/zinc/57/46/43/731574643.db2.gz DSSTZSUQVLEFMH-CQSZACIVSA-N 1 0 292.379 1.042 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)CCF ZINC000846096410 731588694 /nfs/dbraw/zinc/58/86/94/731588694.db2.gz HMACNOFPGZSFBU-ZDUSSCGKSA-N 1 0 254.349 1.871 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCc1nccnc1C ZINC000815155114 731605981 /nfs/dbraw/zinc/60/59/81/731605981.db2.gz XGZPEGXODQZUDP-UHFFFAOYSA-N 1 0 273.336 1.832 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)CC2 ZINC000817976796 731610687 /nfs/dbraw/zinc/61/06/87/731610687.db2.gz UIZQYVAGVBKTTC-SDDRHHMPSA-N 1 0 250.317 1.669 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000322730769 731646278 /nfs/dbraw/zinc/64/62/78/731646278.db2.gz VJBSFWGHVAODHH-QWRGUYRKSA-N 1 0 250.342 1.876 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000779191387 731710941 /nfs/dbraw/zinc/71/09/41/731710941.db2.gz HTGWUWSPNMSIGJ-LBPRGKRZSA-N 1 0 273.336 1.702 20 10 CDCDRO COc1c(O)c(C[N@H+](C)C[C@@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000809752964 731747199 /nfs/dbraw/zinc/74/71/99/731747199.db2.gz YDAFVOBRGWXGSA-GFCCVEGCSA-N 1 0 296.323 1.512 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC000876766756 731766583 /nfs/dbraw/zinc/76/65/83/731766583.db2.gz RDRJHVIXNSTCGY-GFCCVEGCSA-N 1 0 262.309 1.337 20 10 CDCDRO Cc1cccc(C[NH2+]CCN(C)CC(F)F)c1O ZINC000862550835 731815006 /nfs/dbraw/zinc/81/50/06/731815006.db2.gz PZTSLXLWZOHIAQ-UHFFFAOYSA-N 1 0 258.312 1.987 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2COC(C)(C)OC2)c1O ZINC000894460631 731862411 /nfs/dbraw/zinc/86/24/11/731862411.db2.gz UQPWKWBEZVYVSP-UHFFFAOYSA-N 1 0 281.352 1.950 20 10 CDCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922183267 731868846 /nfs/dbraw/zinc/86/88/46/731868846.db2.gz QHMKFVLZMCWAAD-GJZGRUSLSA-N 1 0 279.380 1.623 20 10 CDCDRO Cc1cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)ccc1N(C)C ZINC000815106862 731880810 /nfs/dbraw/zinc/88/08/10/731880810.db2.gz BVXPWFLMJQGWAY-NHYWBVRUSA-N 1 0 275.396 1.675 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000702566582 731917189 /nfs/dbraw/zinc/91/71/89/731917189.db2.gz JWVHRPAEGDBOGW-CZUORRHYSA-N 1 0 277.412 1.470 20 10 CDCDRO COCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000076275572 732048847 /nfs/dbraw/zinc/04/88/47/732048847.db2.gz VIMRTGWSKWFKEG-UHFFFAOYSA-N 1 0 278.396 1.774 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)N1CCCC1 ZINC000134589165 732056187 /nfs/dbraw/zinc/05/61/87/732056187.db2.gz UZWPZKXLLDFXAQ-JTQLQIEISA-N 1 0 292.335 1.221 20 10 CDCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000777219961 732074220 /nfs/dbraw/zinc/07/42/20/732074220.db2.gz OKQSCXRECSWQDR-HIFRSBDPSA-N 1 0 299.342 1.441 20 10 CDCDRO C[NH+](C)CC(=O)NCCCSc1nccs1 ZINC000127068719 732092051 /nfs/dbraw/zinc/09/20/51/732092051.db2.gz WJZDKLBCXIXZLE-UHFFFAOYSA-N 1 0 259.400 1.303 20 10 CDCDRO Cc1ccc(C(=O)NCCN2CCSCC2)c(O)c1O ZINC000780936619 732107444 /nfs/dbraw/zinc/10/74/44/732107444.db2.gz BSMWUJYFTZIKMS-UHFFFAOYSA-N 1 0 296.392 1.185 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000092660471 732117510 /nfs/dbraw/zinc/11/75/10/732117510.db2.gz FZYXYQMCSGTHIV-GFCCVEGCSA-N 1 0 292.379 1.878 20 10 CDCDRO C[NH+](C)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809739937 732149652 /nfs/dbraw/zinc/14/96/52/732149652.db2.gz WSMZRHFPIULZPY-KRWDZBQOSA-N 1 0 289.423 1.659 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000877627041 732174961 /nfs/dbraw/zinc/17/49/61/732174961.db2.gz HKPAGRATECEOIG-CQSZACIVSA-N 1 0 276.380 1.607 20 10 CDCDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939340 732179435 /nfs/dbraw/zinc/17/94/35/732179435.db2.gz BBWLIELJNBHSMN-LALPHHSUSA-N 1 0 265.401 1.765 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CO[C@@H](C)C2)cc1OC ZINC000843433005 732217601 /nfs/dbraw/zinc/21/76/01/732217601.db2.gz UDQLIOGSLCWFAA-GXSJLCMTSA-N 1 0 267.325 1.676 20 10 CDCDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834858833 732283936 /nfs/dbraw/zinc/28/39/36/732283936.db2.gz XNYZQMQPLSPOGT-CYBMUJFWSA-N 1 0 261.369 1.316 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000825279587 732344851 /nfs/dbraw/zinc/34/48/51/732344851.db2.gz STESNAXKWRDROJ-GZMMTYOYSA-N 1 0 298.770 1.798 20 10 CDCDRO C[N@H+](Cc1ccc(Br)cc1O)[C@@H]1CCNC1=O ZINC000824943639 732345492 /nfs/dbraw/zinc/34/54/92/732345492.db2.gz PSKADHVHJNTCDE-SNVBAGLBSA-N 1 0 299.168 1.475 20 10 CDCDRO CCN(C(=O)c1ccc(C)c(O)c1O)C1CC[NH+](C)CC1 ZINC000861892842 732392018 /nfs/dbraw/zinc/39/20/18/732392018.db2.gz UIJGQUWQDRMOPS-UHFFFAOYSA-N 1 0 292.379 1.963 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000841828568 732396717 /nfs/dbraw/zinc/39/67/17/732396717.db2.gz VMISLMIIITZJGR-OAHLLOKOSA-N 1 0 290.411 1.598 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386482249 732399205 /nfs/dbraw/zinc/39/92/05/732399205.db2.gz INJSJFVKZOEIPW-GWCFXTLKSA-N 1 0 250.317 1.715 20 10 CDCDRO COCCC[N@H+](CCO)Cc1ccc(N(C)C)cc1C ZINC000840939666 732421694 /nfs/dbraw/zinc/42/16/94/732421694.db2.gz OXPQDDPEWSMTMA-UHFFFAOYSA-N 1 0 280.412 1.892 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000862428632 732434526 /nfs/dbraw/zinc/43/45/26/732434526.db2.gz STLXOTSAXHCMSI-ZDUSSCGKSA-N 1 0 292.379 1.844 20 10 CDCDRO C[NH2+]CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817942269 732470221 /nfs/dbraw/zinc/47/02/21/732470221.db2.gz ZSGOIUYVBPUFMN-JTQLQIEISA-N 1 0 266.341 1.439 20 10 CDCDRO O[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000720991517 732513917 /nfs/dbraw/zinc/51/39/17/732513917.db2.gz CPUGVZXUVFCYNU-KOMQPUFPSA-N 1 0 276.380 1.384 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816543294 732555592 /nfs/dbraw/zinc/55/55/92/732555592.db2.gz VQEYFCKJVNZQPD-UHFFFAOYSA-N 1 0 258.321 1.771 20 10 CDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000124377130 732582678 /nfs/dbraw/zinc/58/26/78/732582678.db2.gz ZTHUPWAOESRIIP-OAHLLOKOSA-N 1 0 264.369 1.384 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000840963630 732627139 /nfs/dbraw/zinc/62/71/39/732627139.db2.gz BEJVQONTPZOFGJ-UHFFFAOYSA-N 1 0 285.365 1.068 20 10 CDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000840177328 732638747 /nfs/dbraw/zinc/63/87/47/732638747.db2.gz ILDLYUZDWNKUMU-JTQLQIEISA-N 1 0 292.335 1.031 20 10 CDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000841848116 732640916 /nfs/dbraw/zinc/64/09/16/732640916.db2.gz VOBUHFARUVSFSV-BXUZGUMPSA-N 1 0 261.369 1.316 20 10 CDCDRO C[C@H]1C[C@@H](O)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862338982 732759923 /nfs/dbraw/zinc/75/99/23/732759923.db2.gz JASKDNILILZIFG-GXSJLCMTSA-N 1 0 270.323 1.986 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000825942879 732787299 /nfs/dbraw/zinc/78/72/99/732787299.db2.gz NLXOCWMLWBHQOK-RDJZCZTQSA-N 1 0 287.407 1.711 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(O)c1 ZINC000877547348 732795275 /nfs/dbraw/zinc/79/52/75/732795275.db2.gz UWNFHDVRKAIPGE-GFCCVEGCSA-N 1 0 283.393 1.567 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnns2)cc1 ZINC000832272005 732862625 /nfs/dbraw/zinc/86/26/25/732862625.db2.gz BRYPZCXMXIHCJC-LLVKDONJSA-N 1 0 291.380 1.034 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)C(C)C)cc1OC ZINC000182222170 732886685 /nfs/dbraw/zinc/88/66/85/732886685.db2.gz DJGZQUCZCBGJKG-HNNXBMFYSA-N 1 0 283.368 1.906 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(OC)c(C)cc1O ZINC000159662754 732894820 /nfs/dbraw/zinc/89/48/20/732894820.db2.gz RIDQEYASPFXLCG-UHFFFAOYSA-N 1 0 283.368 1.804 20 10 CDCDRO Nc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852790419 732978912 /nfs/dbraw/zinc/97/89/12/732978912.db2.gz PLNRSPUXJJJDGD-LLVKDONJSA-N 1 0 273.258 1.749 20 10 CDCDRO CC(C)NC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000866757573 732981094 /nfs/dbraw/zinc/98/10/94/732981094.db2.gz YWTPVLSYMTXBSU-ZDUSSCGKSA-N 1 0 264.373 1.460 20 10 CDCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)S(C)(=O)=O ZINC000093523212 732996111 /nfs/dbraw/zinc/99/61/11/732996111.db2.gz PKDPDYGEGPBPPX-UHFFFAOYSA-N 1 0 283.393 1.534 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nnnn1C1CC1 ZINC000843349959 733010562 /nfs/dbraw/zinc/01/05/62/733010562.db2.gz GNUYWQBDCWNCOU-UHFFFAOYSA-N 1 0 284.367 1.420 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000776774679 733029038 /nfs/dbraw/zinc/02/90/38/733029038.db2.gz FFMBYDXWLDCUGU-CYBMUJFWSA-N 1 0 288.351 1.748 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCN2CCOCC2)cc1F ZINC000858087040 733073640 /nfs/dbraw/zinc/07/36/40/733073640.db2.gz RRCAAXLDIRYOJX-UHFFFAOYSA-N 1 0 299.365 1.453 20 10 CDCDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846109347 733147985 /nfs/dbraw/zinc/14/79/85/733147985.db2.gz UANKSJRPDWRWGV-AWEZNQCLSA-N 1 0 278.396 1.726 20 10 CDCDRO Cc1ccc(C[N@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c(O)c1 ZINC000877487056 1166047093 /nfs/dbraw/zinc/04/70/93/1166047093.db2.gz BONWLFDXUBDNNV-UONOGXRCSA-N 1 0 278.396 1.588 20 10 CDCDRO C[C@H](O)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877484708 1166047203 /nfs/dbraw/zinc/04/72/03/1166047203.db2.gz LUXICDXBWNBQAX-AWEZNQCLSA-N 1 0 292.423 1.898 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCN2CCCO)c(O)c1 ZINC000877559602 1166057188 /nfs/dbraw/zinc/05/71/88/1166057188.db2.gz POXQUPOJGHYBGU-OAHLLOKOSA-N 1 0 278.396 1.637 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000877558333 1166058344 /nfs/dbraw/zinc/05/83/44/1166058344.db2.gz DEZSDBNMHJHPFE-GFCCVEGCSA-N 1 0 278.352 1.973 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c(OC)c1 ZINC001206201632 912556030 /nfs/dbraw/zinc/55/60/30/912556030.db2.gz YSDBMLQPDDIYJJ-QWHCGFSZSA-N 1 0 298.358 1.671 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(C)O ZINC001233010308 912671303 /nfs/dbraw/zinc/67/13/03/912671303.db2.gz OHDBTBJYVYTUKR-OTYXRUKQSA-N 1 0 267.325 1.396 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(C)O ZINC001233010309 912671735 /nfs/dbraw/zinc/67/17/35/912671735.db2.gz OHDBTBJYVYTUKR-XPTSAGLGSA-N 1 0 267.325 1.396 20 10 CDCDRO [NH3+][C@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001205109307 913670726 /nfs/dbraw/zinc/67/07/26/913670726.db2.gz DWCFPBUQDFHXLT-JTQLQIEISA-N 1 0 256.296 1.984 20 10 CDCDRO Oc1cccc(Cl)c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235045762 913985373 /nfs/dbraw/zinc/98/53/73/913985373.db2.gz WCTOSSULKZMUQW-NWDGAFQWSA-N 1 0 252.745 1.982 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000690739967 896802409 /nfs/dbraw/zinc/80/24/09/896802409.db2.gz RKGNNWJELWJGAG-LBPRGKRZSA-N 1 0 263.341 1.197 20 10 CDCDRO CN1CCOc2cc(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)ccc21 ZINC001141143999 899789306 /nfs/dbraw/zinc/78/93/06/899789306.db2.gz RSCOLSUFVPWGTC-GASCZTMLSA-N 1 0 287.407 1.509 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)N(C)C ZINC000094617127 901344262 /nfs/dbraw/zinc/34/42/62/901344262.db2.gz IUXPEGPWHQWBRY-DTWKUNHWSA-N 1 0 254.305 1.659 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1Cl ZINC001236024732 914567150 /nfs/dbraw/zinc/56/71/50/914567150.db2.gz FWFRMBNJGYGFOM-ZANVPECISA-N 1 0 268.744 1.587 20 10 CDCDRO CN1CCCc2cc(CN3C[C@@H](F)[C@@H]([NH3+])C3)ccc21 ZINC001204822548 907514150 /nfs/dbraw/zinc/51/41/50/907514150.db2.gz CGBPVAPWLNQHEY-KGLIPLIRSA-N 1 0 263.360 1.550 20 10 CDCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001172600978 911768888 /nfs/dbraw/zinc/76/88/88/911768888.db2.gz HCSTVAZPLMNROJ-CMPLNLGQSA-N 1 0 279.336 1.919 20 10 CDCDRO CO[C@H]1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001172925369 912070131 /nfs/dbraw/zinc/07/01/31/912070131.db2.gz XWCXLJCHHWWMTM-RYUDHWBXSA-N 1 0 281.352 1.893 20 10 CDCDRO Cc1ccc(C)c(CN2C[C@H]([NH3+])C[C@H](F)C2)c1O ZINC001206425175 916535349 /nfs/dbraw/zinc/53/53/49/916535349.db2.gz UZXALHBURWAJPJ-NWDGAFQWSA-N 1 0 252.333 1.880 20 10 CDCDRO COc1cc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(O)c(OC)c1 ZINC001206448382 917038646 /nfs/dbraw/zinc/03/86/46/917038646.db2.gz ZQAJONNSJPOTFV-GHMZBOCLSA-N 1 0 284.331 1.281 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)c(O)c1 ZINC000832178654 936563384 /nfs/dbraw/zinc/56/33/84/936563384.db2.gz VEIGVYKUZZLSFC-SKDRFNHKSA-N 1 0 264.325 1.015 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000832178651 936563426 /nfs/dbraw/zinc/56/34/26/936563426.db2.gz VEIGVYKUZZLSFC-CABZTGNLSA-N 1 0 264.325 1.015 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCO2)cc1 ZINC000832266240 936570143 /nfs/dbraw/zinc/57/01/43/936570143.db2.gz DLARDBHNPXOOLD-UONOGXRCSA-N 1 0 277.368 1.048 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CCCO1 ZINC001203634633 919946514 /nfs/dbraw/zinc/94/65/14/919946514.db2.gz OMKPKFHOYADJEE-CQSZACIVSA-N 1 0 295.335 1.165 20 10 CDCDRO C[NH+](C)CCCn1cc(Nc2cccc(O)c2O)cn1 ZINC001187117651 920351111 /nfs/dbraw/zinc/35/11/11/920351111.db2.gz KABXXRFRZVGSLF-UHFFFAOYSA-N 1 0 276.340 1.990 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)CC1=O ZINC000391500083 936658422 /nfs/dbraw/zinc/65/84/22/936658422.db2.gz VOBKOFQJNVINMV-RYUDHWBXSA-N 1 0 262.353 1.972 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC001140182200 936684739 /nfs/dbraw/zinc/68/47/39/936684739.db2.gz KDASRHUIGQFDLG-LBPRGKRZSA-N 1 0 283.393 1.628 20 10 CDCDRO Cc1ccc(C)c(C[N@H+]2CCCN(C)C(=O)C2)c1O ZINC001140182241 936685012 /nfs/dbraw/zinc/68/50/12/936685012.db2.gz LXHTYLRVEHIIPW-UHFFFAOYSA-N 1 0 262.353 1.673 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835071940 936716802 /nfs/dbraw/zinc/71/68/02/936716802.db2.gz AGLJCRDYRVIQOQ-KBPBESRZSA-N 1 0 274.364 1.944 20 10 CDCDRO COC1CCN(c2ccc(C[N@H+](C)CCO)cc2)CC1 ZINC001117755664 922089224 /nfs/dbraw/zinc/08/92/24/922089224.db2.gz XDEKINUFICEDFV-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1 ZINC001140619566 936731793 /nfs/dbraw/zinc/73/17/93/936731793.db2.gz HVQNPHHBXGVBMO-HUUCEWRRSA-N 1 0 265.353 1.266 20 10 CDCDRO COCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662237 936736537 /nfs/dbraw/zinc/73/65/37/936736537.db2.gz KKCBOHSUVKBSIJ-UHFFFAOYSA-N 1 0 282.359 1.741 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC001140746089 936748961 /nfs/dbraw/zinc/74/89/61/936748961.db2.gz UTXWWVSKFLSTCG-AWEZNQCLSA-N 1 0 251.326 1.753 20 10 CDCDRO Cc1c(O)ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O ZINC001140744068 936748654 /nfs/dbraw/zinc/74/86/54/936748654.db2.gz KNGYOQAKULKYPQ-ZDUSSCGKSA-N 1 0 280.368 1.169 20 10 CDCDRO O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(O)cc1F ZINC001237615420 944888531 /nfs/dbraw/zinc/88/85/31/944888531.db2.gz FHIBTGJWGQVHBU-UHFFFAOYSA-N 1 0 288.344 1.273 20 10 CDCDRO Cc1ccc(C[N@@H+](C)C2CCS(=O)(=O)CC2)c(O)c1 ZINC001140950730 936783119 /nfs/dbraw/zinc/78/31/19/936783119.db2.gz FYTOJSYSIMRLTC-UHFFFAOYSA-N 1 0 283.393 1.710 20 10 CDCDRO Cc1ccc(C[N@H+]2CCc3nccn3CC2)c(O)c1 ZINC001140958295 936784246 /nfs/dbraw/zinc/78/42/46/936784246.db2.gz XEMHBUACNUISCM-UHFFFAOYSA-N 1 0 257.337 1.955 20 10 CDCDRO Oc1ccc(O)c(CN2CCN(c3nccs3)CC2)c1 ZINC001141156623 936821210 /nfs/dbraw/zinc/82/12/10/936821210.db2.gz OVJXJIQQGPOTFF-UHFFFAOYSA-N 1 0 291.376 1.877 20 10 CDCDRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654049 937010223 /nfs/dbraw/zinc/01/02/23/937010223.db2.gz MDXGODCZRHFIHW-LBPRGKRZSA-N 1 0 278.400 1.679 20 10 CDCDRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841762029 937013626 /nfs/dbraw/zinc/01/36/26/937013626.db2.gz UEHWXMBVLNJBNC-NSHDSACASA-N 1 0 296.390 1.818 20 10 CDCDRO C[N@H+](C1CN(Cc2cc(F)c(F)cc2O)C1)[C@@H]1CCOC1 ZINC001142524768 937027835 /nfs/dbraw/zinc/02/78/35/937027835.db2.gz JQJWHTBUNJFQAH-LLVKDONJSA-N 1 0 298.333 1.575 20 10 CDCDRO COc1cc(Cl)cc(CN(C)C[C@H](C)[NH3+])c1O ZINC000379750550 927317658 /nfs/dbraw/zinc/31/76/58/927317658.db2.gz KWQWSQGVDRSGOX-QMMMGPOBSA-N 1 0 258.749 1.833 20 10 CDCDRO CCc1cccc(C[NH2+]CC(=O)NC(C)C)c1O ZINC000691482034 928997759 /nfs/dbraw/zinc/99/77/59/928997759.db2.gz IZWFBTFWJQDIAW-UHFFFAOYSA-N 1 0 250.342 1.569 20 10 CDCDRO CCc1cccc(C[NH2+]CC[C@H](O)COC)c1O ZINC000691493762 929067729 /nfs/dbraw/zinc/06/77/29/929067729.db2.gz KVNGSNZFWOVADF-ZDUSSCGKSA-N 1 0 253.342 1.442 20 10 CDCDRO COc1cc(N(C)C(C)(C)C[NH3+])c2c(c1OC)C(=O)NC2 ZINC001170060432 929253063 /nfs/dbraw/zinc/25/30/63/929253063.db2.gz PUBVPZSVLVCOHS-UHFFFAOYSA-N 1 0 293.367 1.121 20 10 CDCDRO COc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000824830502 931484163 /nfs/dbraw/zinc/48/41/63/931484163.db2.gz QNHIINNXKPWHFF-OKILXGFUSA-N 1 0 295.379 1.236 20 10 CDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499879 931857950 /nfs/dbraw/zinc/85/79/50/931857950.db2.gz NJTJNLJFKHFGBC-RKDXNWHRSA-N 1 0 253.298 1.149 20 10 CDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499811 931858340 /nfs/dbraw/zinc/85/83/40/931858340.db2.gz JSDACZOOCDHYKN-IUCAKERBSA-N 1 0 253.298 1.006 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(COC3)CC2)c(O)c1 ZINC001144499864 931858605 /nfs/dbraw/zinc/85/86/05/931858605.db2.gz MNGNEMLAFGRTQV-UHFFFAOYSA-N 1 0 265.309 1.416 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1O ZINC001144499420 931858733 /nfs/dbraw/zinc/85/87/33/931858733.db2.gz GGXJQNORFZEDTL-SKDRFNHKSA-N 1 0 267.325 1.396 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001144499116 931859043 /nfs/dbraw/zinc/85/90/43/931859043.db2.gz ADKCIZDACKOUSR-MRVPVSSYSA-N 1 0 289.278 1.253 20 10 CDCDRO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H](C)O1 ZINC001144500375 931859496 /nfs/dbraw/zinc/85/94/96/931859496.db2.gz SVBDYYCCONGPMO-DTORHVGOSA-N 1 0 253.298 1.413 20 10 CDCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509067 931874354 /nfs/dbraw/zinc/87/43/54/931874354.db2.gz JVKVSIWYGISTOJ-JTQLQIEISA-N 1 0 294.351 1.104 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCOCC23CCC3)c(O)c1 ZINC001144514850 931877829 /nfs/dbraw/zinc/87/78/29/931877829.db2.gz UVPHVHYOSBNUOR-UHFFFAOYSA-N 1 0 265.309 1.558 20 10 CDCDRO COc1cccc(C[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846108009 931974237 /nfs/dbraw/zinc/97/42/37/931974237.db2.gz ARQOWXPPACAEFK-OAHLLOKOSA-N 1 0 281.352 1.422 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846144578 931987169 /nfs/dbraw/zinc/98/71/69/931987169.db2.gz LFWXUMYHDOSYFD-WDEREUQCSA-N 1 0 269.341 1.449 20 10 CDCDRO O=C(C[C@H]1CCC[NH2+]C1)N1CCc2cccc(O)c2C1 ZINC001160872296 932207244 /nfs/dbraw/zinc/20/72/44/932207244.db2.gz IJKUJSYXVCYXHN-GFCCVEGCSA-N 1 0 274.364 1.667 20 10 CDCDRO CCC[NH+]1C[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]2C1 ZINC001148219230 932670814 /nfs/dbraw/zinc/67/08/14/932670814.db2.gz XPCBDZLEXPAADU-VXGBXAGGSA-N 1 0 290.363 1.512 20 10 CDCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148589596 932753418 /nfs/dbraw/zinc/75/34/18/932753418.db2.gz DEZDDGJVYZABMT-QWRGUYRKSA-N 1 0 294.351 1.406 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000692093471 934378344 /nfs/dbraw/zinc/37/83/44/934378344.db2.gz VYQRYCJXDOBXJV-ZDUSSCGKSA-N 1 0 275.352 1.164 20 10 CDCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001120263116 937790173 /nfs/dbraw/zinc/79/01/73/937790173.db2.gz KIABHKBNXDPBMQ-CQSZACIVSA-N 1 0 261.369 1.617 20 10 CDCDRO [NH3+]C1CCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001160519721 938794872 /nfs/dbraw/zinc/79/48/72/938794872.db2.gz TUUUSGOXXJATGU-UHFFFAOYSA-N 1 0 270.716 1.315 20 10 CDCDRO CNc1ccccc1N[C@H](C(=O)OC)C(C)(C)[NH3+] ZINC001162957080 939165265 /nfs/dbraw/zinc/16/52/65/939165265.db2.gz WQVSHULZAHQCPH-LLVKDONJSA-N 1 0 251.330 1.419 20 10 CDCDRO [NH3+][C@@H]1CCN(c2ccc3c4c(ccnc24)CCO3)C1 ZINC001164286174 939446759 /nfs/dbraw/zinc/44/67/59/939446759.db2.gz HVTQURCROSPYAQ-LLVKDONJSA-N 1 0 255.321 1.707 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001203550099 939692781 /nfs/dbraw/zinc/69/27/81/939692781.db2.gz HVXDEYWHVPTZLM-GFCCVEGCSA-N 1 0 291.269 1.518 20 10 CDCDRO COc1cccc(CN2CC([N@H+](C)[C@H]3CCOC3)C2)c1O ZINC001203596588 939695232 /nfs/dbraw/zinc/69/52/32/939695232.db2.gz KKETXMVQEKROOG-ZDUSSCGKSA-N 1 0 292.379 1.306 20 10 CDCDRO COc1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c(O)c1 ZINC001203620956 939697257 /nfs/dbraw/zinc/69/72/57/939697257.db2.gz KVXZTAXADHVLLS-PWSUYJOCSA-N 1 0 269.316 1.553 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(O)c1 ZINC001203634610 939698888 /nfs/dbraw/zinc/69/88/88/939698888.db2.gz NMVCDDFXBULVAQ-CYBMUJFWSA-N 1 0 288.351 1.829 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1 ZINC001203669613 939700410 /nfs/dbraw/zinc/70/04/10/939700410.db2.gz GLLALBKMTAESDS-DJSGYFEHSA-N 1 0 293.363 1.373 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874556 939710419 /nfs/dbraw/zinc/71/04/19/939710419.db2.gz AJMFTTQXWANMPQ-JTQLQIEISA-N 1 0 251.282 1.093 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)O1 ZINC001203879307 939711204 /nfs/dbraw/zinc/71/12/04/939711204.db2.gz IDJCOWVOQLXNEB-UHFFFAOYSA-N 1 0 278.308 1.172 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC001203940094 939715190 /nfs/dbraw/zinc/71/51/90/939715190.db2.gz IKLSFSQIDVGAIU-NVXWUHKLSA-N 1 0 292.423 1.708 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC001203940095 939715200 /nfs/dbraw/zinc/71/52/00/939715200.db2.gz IKLSFSQIDVGAIU-RDJZCZTQSA-N 1 0 292.423 1.708 20 10 CDCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275843 939750396 /nfs/dbraw/zinc/75/03/96/939750396.db2.gz CVHZMDFADKXGAN-AWEZNQCLSA-N 1 0 251.326 1.835 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204281767 939752850 /nfs/dbraw/zinc/75/28/50/939752850.db2.gz IPKRJFUGHIEQMU-MFKMUULPSA-N 1 0 261.321 1.899 20 10 CDCDRO COc1cc(CN2CC[NH+](C(C)C)CC2)cc(O)c1O ZINC001204340394 939756638 /nfs/dbraw/zinc/75/66/38/939756638.db2.gz PPGTUJDVFIPSTD-UHFFFAOYSA-N 1 0 280.368 1.632 20 10 CDCDRO CCOc1ccc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(O)c1 ZINC001204837116 939797062 /nfs/dbraw/zinc/79/70/62/939797062.db2.gz RODHMVMGCMJBEM-NEPJUHHUSA-N 1 0 254.305 1.272 20 10 CDCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC001205220470 939837862 /nfs/dbraw/zinc/83/78/62/939837862.db2.gz KLSKKDFXILCBRI-CQSZACIVSA-N 1 0 268.332 1.207 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 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DDNZPHHFSPUHLL-NSHDSACASA-N 1 0 264.369 1.925 20 10 CDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010681 943460208 /nfs/dbraw/zinc/46/02/08/943460208.db2.gz TUMWWVUXLUFATB-WPRPVWTQSA-N 1 0 253.298 1.149 20 10 CDCDRO CN(CCC[NH+]1CCCC1)Cc1cc(O)c(O)c(O)c1 ZINC001233013163 943461288 /nfs/dbraw/zinc/46/12/88/943461288.db2.gz NHEXZXOOHLSFAI-UHFFFAOYSA-N 1 0 280.368 1.721 20 10 CDCDRO CC(C)(C)[NH+]1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233011642 943461320 /nfs/dbraw/zinc/46/13/20/943461320.db2.gz DZDXQFXFRWMYIS-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO Oc1cc(CN2CCC[C@]3(CCO3)C2)cc(O)c1O ZINC001233016547 943464944 /nfs/dbraw/zinc/46/49/44/943464944.db2.gz HGEBCLZMCNCAMY-AWEZNQCLSA-N 1 0 265.309 1.558 20 10 CDCDRO CCN1CCc2cc(OC[C@@H]3CN(C)CCO3)ccc21 ZINC001233601386 943624958 /nfs/dbraw/zinc/62/49/58/943624958.db2.gz IYMVSJVERFNCIH-HNNXBMFYSA-N 1 0 276.380 1.778 20 10 CDCDRO COc1cc(CN2CCCC[C@@]23CC[NH2+]C3)cc(O)c1O ZINC001235123449 944062705 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COC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2O)CCO1 ZINC001236816998 944578307 /nfs/dbraw/zinc/57/83/07/944578307.db2.gz AAGBYHJVCBBCJI-ZDUSSCGKSA-N 1 0 281.352 1.556 20 10 CDCDRO COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC001236821580 944581542 /nfs/dbraw/zinc/58/15/42/944581542.db2.gz RDOVZZSEKZHNPQ-BETUJISGSA-N 1 0 276.380 1.988 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236868882 944595931 /nfs/dbraw/zinc/59/59/31/944595931.db2.gz QUSJZLVMQPMLKO-HNNXBMFYSA-N 1 0 291.439 1.817 20 10 CDCDRO C[C@H]1CCN1Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237203575 944693559 /nfs/dbraw/zinc/69/35/59/944693559.db2.gz TUCPPNRQDFCDGA-ZDUSSCGKSA-N 1 0 294.420 1.516 20 10 CDCDRO O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237401479 944753791 /nfs/dbraw/zinc/75/37/91/944753791.db2.gz CXKGBIIIIXDPOW-OCCSQVGLSA-N 1 0 290.363 1.664 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001237485428 944810395 /nfs/dbraw/zinc/81/03/95/944810395.db2.gz PDQPXXMRJPPWQN-NEPJUHHUSA-N 1 0 253.317 1.853 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001237493137 944814826 /nfs/dbraw/zinc/81/48/26/944814826.db2.gz VOFLJMHXWKHZCL-WCQYABFASA-N 1 0 260.337 1.269 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237668227 944915450 /nfs/dbraw/zinc/91/54/50/944915450.db2.gz ASANTKYIWTYIBC-SNVBAGLBSA-N 1 0 295.335 1.404 20 10 CDCDRO COc1cc(C[N@H+](C)Cc2cnn(C)c2)c(O)c(OC)c1 ZINC001237674451 944917449 /nfs/dbraw/zinc/91/74/49/944917449.db2.gz ICKIFFUSXOJMHV-UHFFFAOYSA-N 1 0 291.351 1.775 20 10 CDCDRO COCCn1ccc2c1ncnc2C1=CCC[NH2+]C1 ZINC001240651363 945972226 /nfs/dbraw/zinc/97/22/26/945972226.db2.gz FHZJWIQYTRULBG-UHFFFAOYSA-N 1 0 258.325 1.454 20 10 CDCDRO O=c1cc(C2=CCC[NH2+]C2)ccn1Cc1cccnc1 ZINC001240671447 945983248 /nfs/dbraw/zinc/98/32/48/945983248.db2.gz XKRFHMQDORFWFG-UHFFFAOYSA-N 1 0 267.332 1.668 20 10 CDCDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)CN1 ZINC001246172455 948008292 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C[N@H+](CC(=O)NCc1c(O)cccc1O)[C@H]1CCSC1 ZINC001304053797 956156633 /nfs/dbraw/zinc/15/66/33/956156633.db2.gz SMDKIYKNUUBLMS-JTQLQIEISA-N 1 0 296.392 1.151 20 10 CDCDRO CN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2O)C1=O ZINC001308760847 956575852 /nfs/dbraw/zinc/57/58/52/956575852.db2.gz QBYWWXOUFZFGGX-LLVKDONJSA-N 1 0 268.744 1.708 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[C@H]2CCC(=O)N2)c1 ZINC001308869319 956592014 /nfs/dbraw/zinc/59/20/14/956592014.db2.gz ORSQZCLJMVHJGL-DGCLKSJQSA-N 1 0 262.353 1.847 20 10 CDCDRO CC(C)CNC(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001332781120 957833417 /nfs/dbraw/zinc/83/34/17/957833417.db2.gz RTROXMLKFHIKKM-UHFFFAOYSA-N 1 0 276.380 1.873 20 10 CDCDRO Cc1ccc(C(=O)NCC[NH+]2CC=CC2)c(O)c1O ZINC001319952927 958808645 /nfs/dbraw/zinc/80/86/45/958808645.db2.gz VSOGPNUHUAEDNM-UHFFFAOYSA-N 1 0 262.309 1.008 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H]1C1CC1 ZINC001334753169 959331794 /nfs/dbraw/zinc/33/17/94/959331794.db2.gz AWAMMGIXYKGVNK-LSDHHAIUSA-N 1 0 274.364 1.900 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC001335285858 959683685 /nfs/dbraw/zinc/68/36/85/959683685.db2.gz SMRIBVWZDFCWHH-CQSZACIVSA-N 1 0 271.368 1.773 20 10 CDCDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N)cc3)C2)C1 ZINC001335724106 959992540 /nfs/dbraw/zinc/99/25/40/959992540.db2.gz GRYDOULENYSCGI-MRXNPFEDSA-N 1 0 288.395 1.506 20 10 CDCDRO C[NH+]1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001336734564 960519850 /nfs/dbraw/zinc/51/98/50/960519850.db2.gz BXXBEAVGGDNPAH-UHFFFAOYSA-N 1 0 262.357 1.162 20 10 CDCDRO CC[N@H+](CC(=O)NC)Cc1ccc(N2CCCC2)cc1 ZINC001336942162 960768557 /nfs/dbraw/zinc/76/85/57/960768557.db2.gz ASDACUVZGSVFIO-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO Nc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC001338625704 961917878 /nfs/dbraw/zinc/91/78/78/961917878.db2.gz RFDGJZKBEWIMMI-LBPRGKRZSA-N 1 0 262.357 1.068 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC001348550229 966053342 /nfs/dbraw/zinc/05/33/42/966053342.db2.gz DOVYQEXXTZCBSO-LBPRGKRZSA-N 1 0 292.427 1.716 20 10 CDCDRO COCC[C@@H]([NH3+])C(=O)NCc1cc(Cl)ccc1O ZINC001573974404 1170847725 /nfs/dbraw/zinc/84/77/25/1170847725.db2.gz GJLUETSMVLYQBC-SNVBAGLBSA-N 1 0 272.732 1.026 20 10 CDCDRO CC(C)(O)[C@H]([NH3+])C(=O)NCc1c(O)ccc2ccccc21 ZINC001575387365 1171164508 /nfs/dbraw/zinc/16/45/08/1171164508.db2.gz OLJDEBXSUBVQEU-CQSZACIVSA-N 1 0 288.347 1.260 20 10 CDCDRO CC(C)C[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001575627412 1171225356 /nfs/dbraw/zinc/22/53/56/1171225356.db2.gz RVUSHJOBWCPMDK-WCQYABFASA-N 1 0 294.395 1.909 20 10 CDCDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001576472282 1171430703 /nfs/dbraw/zinc/43/07/03/1171430703.db2.gz GOIPGWQCJBDZBA-AGLBCWCQSA-N 1 0 276.336 1.225 20 10 CDCDRO CC(=O)NC[C@H]1CN(Cc2cc(C)ccc2O)CCO1 ZINC000179716590 357221884 /nfs/dbraw/zinc/22/18/84/357221884.db2.gz HWFRGMIJUMTOPE-AWEZNQCLSA-N 1 0 278.352 1.038 20 10 CDCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NCc1ccco1 ZINC000180921919 357293824 /nfs/dbraw/zinc/29/38/24/357293824.db2.gz WYSFLTQYGJHGJG-JTQLQIEISA-N 1 0 292.310 1.919 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180145341 357246106 /nfs/dbraw/zinc/24/61/06/357246106.db2.gz PVGIVOHBLKLMMO-JTQLQIEISA-N 1 0 266.316 1.489 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000180506130 357273333 /nfs/dbraw/zinc/27/33/33/357273333.db2.gz PIIQGSLZNGWKOZ-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000367670560 358205940 /nfs/dbraw/zinc/20/59/40/358205940.db2.gz NMIDYMVRRYBOIC-NSHDSACASA-N 1 0 278.352 1.501 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN(CC(N)=O)C(C)C)c1O ZINC000050147098 359582174 /nfs/dbraw/zinc/58/21/74/359582174.db2.gz YDTUBMUHFWGWOH-UHFFFAOYSA-N 1 0 298.770 1.944 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000230663356 360336160 /nfs/dbraw/zinc/33/61/60/360336160.db2.gz WGAKKSAYBYWBKG-ONGXEEELSA-N 1 0 257.305 1.579 20 10 CDCDRO CC[N@@H+]1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000271302935 364979849 /nfs/dbraw/zinc/97/98/49/364979849.db2.gz SSXSDVMDLSEXGB-UHFFFAOYSA-N 1 0 278.352 1.574 20 10 CDCDRO Cc1nc(CC[N@@H+](C)Cc2cc(F)ccc2O)no1 ZINC000272301628 365179293 /nfs/dbraw/zinc/17/92/93/365179293.db2.gz PSNFKIHJPJCDEI-UHFFFAOYSA-N 1 0 265.288 1.897 20 10 CDCDRO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000273086873 365470126 /nfs/dbraw/zinc/47/01/26/365470126.db2.gz YXNRRQHDGXKHDN-AWEZNQCLSA-N 1 0 298.390 1.828 20 10 CDCDRO O=C1N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2CO1 ZINC000281342301 367624030 /nfs/dbraw/zinc/62/40/30/367624030.db2.gz SSTDSBFPNJJEMC-PWSUYJOCSA-N 1 0 296.754 1.976 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCOCCO)c1O ZINC000282776505 368032778 /nfs/dbraw/zinc/03/27/78/368032778.db2.gz PZEOJGWCBODOQY-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO CN1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)c2ccccc21 ZINC000638117846 368500058 /nfs/dbraw/zinc/50/00/58/368500058.db2.gz PEDMLDUXBNXXIR-ZDUSSCGKSA-N 1 0 271.364 1.907 20 10 CDCDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2ccccc2O)nn1 ZINC000284293138 368510047 /nfs/dbraw/zinc/51/00/47/368510047.db2.gz IHAONNSXXIUPJQ-SNVBAGLBSA-N 1 0 290.323 1.121 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1OC ZINC000294579459 371071239 /nfs/dbraw/zinc/07/12/39/371071239.db2.gz MPUQZNBCGMPKTR-IYBDPMFKSA-N 1 0 278.396 1.907 20 10 CDCDRO CC[C@@H](O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000124375931 375966979 /nfs/dbraw/zinc/96/69/79/375966979.db2.gz OJHHNLSAYNNVIN-SNVBAGLBSA-N 1 0 253.298 1.372 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237940760 376007765 /nfs/dbraw/zinc/00/77/65/376007765.db2.gz JUPSCJBWRDBOMH-AWEZNQCLSA-N 1 0 273.380 1.317 20 10 CDCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@H](O)CC1)OCO2 ZINC000293889854 378601943 /nfs/dbraw/zinc/60/19/43/378601943.db2.gz DSBFUHCGZFCPEG-NSHDSACASA-N 1 0 265.309 1.468 20 10 CDCDRO CCOCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000092885161 390897984 /nfs/dbraw/zinc/89/79/84/390897984.db2.gz YLZUVIAJIJGIJR-UHFFFAOYSA-N 1 0 269.341 1.878 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000093101936 390899891 /nfs/dbraw/zinc/89/98/91/390899891.db2.gz GCVGYQVPLVKCDC-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c1O ZINC000093360784 390901848 /nfs/dbraw/zinc/90/18/48/390901848.db2.gz NLBNIVUYRJPOPM-ZDUSSCGKSA-N 1 0 292.379 1.749 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000373738390 391130230 /nfs/dbraw/zinc/13/02/30/391130230.db2.gz OUOLCIRVARQHHR-IACUBPJLSA-N 1 0 274.364 1.786 20 10 CDCDRO CSC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000182430669 391234873 /nfs/dbraw/zinc/23/48/73/391234873.db2.gz WEFHFZFENFCGCO-ZDUSSCGKSA-N 1 0 255.383 1.904 20 10 CDCDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000269106280 391239284 /nfs/dbraw/zinc/23/92/84/391239284.db2.gz BULPXHGWHMVTQE-AWEZNQCLSA-N 1 0 298.390 1.923 20 10 CDCDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179559043 391210689 /nfs/dbraw/zinc/21/06/89/391210689.db2.gz LLALDAMYDPJPAP-ZDUSSCGKSA-N 1 0 260.337 1.635 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CC[S@](C)=O)c1 ZINC000164757998 391290249 /nfs/dbraw/zinc/29/02/49/391290249.db2.gz IRVGVIAJQGLVQS-XTZNXHDOSA-N 1 0 271.382 1.648 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217806259 392968905 /nfs/dbraw/zinc/96/89/05/392968905.db2.gz OKOZGXCUJNMHTE-GJZGRUSLSA-N 1 0 273.380 1.554 20 10 CDCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccccc1O ZINC000020125222 171008438 /nfs/dbraw/zinc/00/84/38/171008438.db2.gz BQKVJZKVLZHZSV-NSHDSACASA-N 1 0 250.342 1.815 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CC(=O)N(C)C)cc1 ZINC000037207311 173028807 /nfs/dbraw/zinc/02/88/07/173028807.db2.gz AVZWOOMRMZPHJH-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000038060940 174072720 /nfs/dbraw/zinc/07/27/20/174072720.db2.gz NUBZLKHHZJRSJY-WFASDCNBSA-N 1 0 264.369 1.819 20 10 CDCDRO CCN1CCC([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000038098021 174112307 /nfs/dbraw/zinc/11/23/07/174112307.db2.gz JNAPEIKNKOVKHS-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(N(C)C)cc1 ZINC000158181081 261159786 /nfs/dbraw/zinc/15/97/86/261159786.db2.gz POTIWALQDQEQPT-UHFFFAOYSA-N 1 0 266.385 1.847 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000195171446 262247665 /nfs/dbraw/zinc/24/76/65/262247665.db2.gz LVMMXJYZILRISL-UHFFFAOYSA-N 1 0 287.407 1.903 20 10 CDCDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(F)ccc1O ZINC000184921397 262300388 /nfs/dbraw/zinc/30/03/88/262300388.db2.gz AWURHKHSYJJMGB-VIFPVBQESA-N 1 0 290.360 1.121 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC[S@](C)=O)c1 ZINC000125533908 264011803 /nfs/dbraw/zinc/01/18/03/264011803.db2.gz ICQSPVCOXRWSKV-APPDUMDISA-N 1 0 255.383 1.947 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](CO)SC)c1 ZINC000224856876 329244863 /nfs/dbraw/zinc/24/48/63/329244863.db2.gz LPSUYZHFQSZJCF-NOZJJQNGSA-N 1 0 271.382 1.603 20 10 CDCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000122754154 329553923 /nfs/dbraw/zinc/55/39/23/329553923.db2.gz FPOOSGTWBWQBEB-ADLMAVQZSA-N 1 0 267.394 1.868 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000219923261 333159403 /nfs/dbraw/zinc/15/94/03/333159403.db2.gz PYVVNMCYZYWACT-KOLCDFICSA-N 1 0 265.309 1.778 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)N(C)C2CC2)c1 ZINC000224805561 333225779 /nfs/dbraw/zinc/22/57/79/333225779.db2.gz MBEFIDGKQHWUDE-NSHDSACASA-N 1 0 264.369 1.973 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136174350 334148613 /nfs/dbraw/zinc/14/86/13/334148613.db2.gz ZTHACHJEDDWSAD-OAHLLOKOSA-N 1 0 262.353 1.883 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000694515210 1159477488 /nfs/dbraw/zinc/47/74/88/1159477488.db2.gz NDVQUJFISVKZSX-CYBMUJFWSA-N 1 0 283.393 1.758 20 10 CDCDRO CCCN(C(=O)NCCc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC000841955790 1160688879 /nfs/dbraw/zinc/68/88/79/1160688879.db2.gz NLUGRDYDAFOQKJ-HNNXBMFYSA-N 1 0 290.411 1.595 20 10 CDCDRO CCCNC(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083551493 519879916 /nfs/dbraw/zinc/87/99/16/519879916.db2.gz MNSQRBGPTLSWMN-UHFFFAOYSA-N 1 0 256.733 1.661 20 10 CDCDRO Oc1cccc(F)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC001137837762 1161522484 /nfs/dbraw/zinc/52/24/84/1161522484.db2.gz UAXPTJAOKOCEFV-UHFFFAOYSA-N 1 0 294.370 1.828 20 10 CDCDRO CC[N@H+](CC(N)=O)Cc1cc(Br)ccc1O ZINC000076118575 520434896 /nfs/dbraw/zinc/43/48/96/520434896.db2.gz GEPRKYCEJZYYTE-UHFFFAOYSA-N 1 0 287.157 1.462 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1F ZINC000236913207 520902023 /nfs/dbraw/zinc/90/20/23/520902023.db2.gz JQPUKDDYBOEOCB-ZDUSSCGKSA-N 1 0 293.386 1.898 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CO)cc1F ZINC000276710096 520906266 /nfs/dbraw/zinc/90/62/66/520906266.db2.gz GNEXFJARHPQEKJ-GFCCVEGCSA-N 1 0 270.348 1.115 20 10 CDCDRO COc1c(O)c(C[N@H+]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000278178524 521869512 /nfs/dbraw/zinc/86/95/12/521869512.db2.gz GOQQJHAMVSVVRG-LLVKDONJSA-N 1 0 296.323 1.920 20 10 CDCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020087476 522625799 /nfs/dbraw/zinc/62/57/99/522625799.db2.gz NMGFTHJAAKENHW-ZDUSSCGKSA-N 1 0 264.369 1.648 20 10 CDCDRO CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccccc1O ZINC000290258584 522954181 /nfs/dbraw/zinc/95/41/81/522954181.db2.gz UXTUDYDDUFUUPT-DYEKYZERSA-N 1 0 251.326 1.847 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000237355388 525006822 /nfs/dbraw/zinc/00/68/22/525006822.db2.gz YWRQOKRLALYYCU-RISCZKNCSA-N 1 0 261.369 1.540 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1 ZINC000279836957 525347410 /nfs/dbraw/zinc/34/74/10/525347410.db2.gz QSEHBFUTITVDTC-UHFFFAOYSA-N 1 0 283.393 1.758 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC000129527368 525939912 /nfs/dbraw/zinc/93/99/12/525939912.db2.gz ZASMRFKQZBIVHQ-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1cccc(C[NH+]2CCN(C3CC3)CC2)c1O ZINC000127931158 525946733 /nfs/dbraw/zinc/94/67/33/525946733.db2.gz CFBCOWBPWJAROL-UHFFFAOYSA-N 1 0 262.353 1.681 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000262469430 527480532 /nfs/dbraw/zinc/48/05/32/527480532.db2.gz ZJBARWMJVKJEPY-BMFZPTHFSA-N 1 0 287.407 1.848 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)Cn2cncn2)c1O ZINC000725849156 574444429 /nfs/dbraw/zinc/44/44/29/574444429.db2.gz JFSOWZDGRCSWJL-SNVBAGLBSA-N 1 0 262.313 1.171 20 10 CDCDRO CC[C@H](CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000727060859 574540004 /nfs/dbraw/zinc/54/00/04/574540004.db2.gz XINRLVUHWDEQJQ-CQSZACIVSA-N 1 0 293.411 1.072 20 10 CDCDRO CC[NH+](CC)CCOC(=O)c1ccc(C)c(O)c1O ZINC000772068496 575658069 /nfs/dbraw/zinc/65/80/69/575658069.db2.gz GERCDPDRDBKZQN-UHFFFAOYSA-N 1 0 267.325 1.905 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(O)cccc1OC ZINC000769566774 575360678 /nfs/dbraw/zinc/36/06/78/575360678.db2.gz HRXKWZCONPCYNH-SNVBAGLBSA-N 1 0 266.341 1.215 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770751730 575495284 /nfs/dbraw/zinc/49/52/84/575495284.db2.gz AOYONOIIEPLJEZ-WBMJQRKESA-N 1 0 293.363 1.829 20 10 CDCDRO CCn1cnnc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000735926156 575536334 /nfs/dbraw/zinc/53/63/34/575536334.db2.gz KQHNUUYOAIVXOP-UHFFFAOYSA-N 1 0 280.759 1.989 20 10 CDCDRO COc1cccc(C[NH+]2CCC(CCO)CC2)c1O ZINC000768238349 576266232 /nfs/dbraw/zinc/26/62/32/576266232.db2.gz YOLSURUMYLRANU-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO CC1=CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768465912 576287988 /nfs/dbraw/zinc/28/79/88/576287988.db2.gz SHZBPHVZZFOJKD-CQSZACIVSA-N 1 0 261.321 1.970 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000769139534 576333511 /nfs/dbraw/zinc/33/35/11/576333511.db2.gz ITMMJSVPKNNSDW-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000769304740 576344064 /nfs/dbraw/zinc/34/40/64/576344064.db2.gz DDLPFDOJKGJPFS-LBPRGKRZSA-N 1 0 293.363 1.986 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCN(CCCCO)CC2)cc1C ZINC000769393350 576351369 /nfs/dbraw/zinc/35/13/69/576351369.db2.gz AKAPRFSTNARGSQ-UHFFFAOYSA-N 1 0 292.423 1.899 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC000769481679 576358143 /nfs/dbraw/zinc/35/81/43/576358143.db2.gz DGHNDYZBIKZYQZ-HOCLYGCPSA-N 1 0 292.379 1.306 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000761223916 576560995 /nfs/dbraw/zinc/56/09/95/576560995.db2.gz VCNKQELSMTUBLD-HIFRSBDPSA-N 1 0 281.352 1.684 20 10 CDCDRO C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000892001420 617399663 /nfs/dbraw/zinc/39/96/63/617399663.db2.gz VIAXPHOMHYMKKE-RYUDHWBXSA-N 1 0 277.368 1.752 20 10 CDCDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000840879859 617423544 /nfs/dbraw/zinc/42/35/44/617423544.db2.gz ANQDPVGKSMPDRE-GFCCVEGCSA-N 1 0 296.436 1.980 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCC2)c(O)c1OC ZINC000893178828 617442390 /nfs/dbraw/zinc/44/23/90/617442390.db2.gz IOBBTGMOIDUMQP-UHFFFAOYSA-N 1 0 266.341 1.205 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000892146194 617506744 /nfs/dbraw/zinc/50/67/44/617506744.db2.gz NTFIZIKSOMHCAX-OPRDCNLKSA-N 1 0 251.330 1.488 20 10 CDCDRO COc1ccc(C[NH2+]C2(CO)CCC2)c(O)c1OC ZINC000893314493 617557824 /nfs/dbraw/zinc/55/78/24/617557824.db2.gz VTUSNLWCOZFFLE-UHFFFAOYSA-N 1 0 267.325 1.414 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)Cn2cncn2)c(O)c1OC ZINC000892686191 617591125 /nfs/dbraw/zinc/59/11/25/617591125.db2.gz HQIFIUYELDGJIL-JTQLQIEISA-N 1 0 292.339 1.179 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893994171 618235622 /nfs/dbraw/zinc/23/56/22/618235622.db2.gz BHEFASBZHQFPBX-QMMMGPOBSA-N 1 0 273.279 1.911 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(O)CCC2)c1O ZINC000894261920 618327372 /nfs/dbraw/zinc/32/73/72/618327372.db2.gz WQNQKRRYGASRHG-UHFFFAOYSA-N 1 0 251.326 1.714 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c(O)c1OC ZINC000894118103 618469128 /nfs/dbraw/zinc/46/91/28/618469128.db2.gz LDGSBUCIKCKOQY-ZUZCIYMTSA-N 1 0 297.351 1.039 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C=C2CCC2)cc1 ZINC000843296868 618701187 /nfs/dbraw/zinc/70/11/87/618701187.db2.gz CJZVGZFGBZKDNQ-OAHLLOKOSA-N 1 0 273.380 1.979 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cc(C)ccc2O)C1 ZINC000894543192 618953526 /nfs/dbraw/zinc/95/35/26/618953526.db2.gz VYPYBINRBUZAHL-UHFFFAOYSA-N 1 0 264.325 1.631 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894929504 619149196 /nfs/dbraw/zinc/14/91/96/619149196.db2.gz PFLFWZHHUOWCQS-INIZCTEOSA-N 1 0 295.379 1.540 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000895149502 619358503 /nfs/dbraw/zinc/35/85/03/619358503.db2.gz JCZPDZMLEVYNGR-INIZCTEOSA-N 1 0 295.379 1.730 20 10 CDCDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000895319482 619552803 /nfs/dbraw/zinc/55/28/03/619552803.db2.gz YAPHHZORXHPTDH-LLVKDONJSA-N 1 0 268.744 1.660 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1Cl ZINC000895326208 619564015 /nfs/dbraw/zinc/56/40/15/619564015.db2.gz VZWLMOBAKHAJKE-FZMZJTMJSA-N 1 0 285.771 1.672 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895350505 619594110 /nfs/dbraw/zinc/59/41/10/619594110.db2.gz NPCSGXRYSUOYBM-UMSPYCQHSA-N 1 0 279.336 1.750 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1 ZINC000895746114 619821553 /nfs/dbraw/zinc/82/15/53/619821553.db2.gz BVZJCGYFPXSJPB-GXTWGEPZSA-N 1 0 281.352 1.420 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897202700 620413319 /nfs/dbraw/zinc/41/33/19/620413319.db2.gz WOFIGGHYBLHQKD-INIZCTEOSA-N 1 0 278.396 1.956 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754046 620960854 /nfs/dbraw/zinc/96/08/54/620960854.db2.gz YRGXKLMDVNBFBB-SCZZXKLOSA-N 1 0 259.733 1.704 20 10 CDCDRO C[C@H](O)[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929185627 621562920 /nfs/dbraw/zinc/56/29/20/621562920.db2.gz WFJWGUSJQUSOOS-WMLDXEAASA-N 1 0 292.423 1.850 20 10 CDCDRO COc1cc(Br)cc(CN[C@@H](C)C[NH3+])c1O ZINC000841063113 621617812 /nfs/dbraw/zinc/61/78/12/621617812.db2.gz GYJZIPWTAMJDRY-ZETCQYMHSA-N 1 0 289.173 1.600 20 10 CDCDRO CC1=NO[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911668204 629386870 /nfs/dbraw/zinc/38/68/70/629386870.db2.gz WDLYIYFAIOIHOF-ZIAGYGMSSA-N 1 0 290.367 1.033 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921732416 633248645 /nfs/dbraw/zinc/24/86/45/633248645.db2.gz MULBTXCGZBHSSL-OAHLLOKOSA-N 1 0 265.353 1.499 20 10 CDCDRO O=c1cc(C2=CC[NH2+]C2)ccn1Cc1ccccn1 ZINC001243111131 1162107597 /nfs/dbraw/zinc/10/75/97/1162107597.db2.gz GKTUWKDOVDUXNZ-UHFFFAOYSA-N 1 0 253.305 1.278 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@]2(CCO)CCOC2)cc1Cl ZINC000825716736 1165613862 /nfs/dbraw/zinc/61/38/62/1165613862.db2.gz XUBCHLFVKQJRKD-AWEZNQCLSA-N 1 0 285.771 1.985 20 10 CDCDRO O=C(NC1C[NH2+]C1)c1cc2cc(O)c(O)cc2s1 ZINC001574311965 1170946593 /nfs/dbraw/zinc/94/65/93/1170946593.db2.gz SCRKKPQDIZQJKJ-UHFFFAOYSA-N 1 0 264.306 1.014 20 10 CDCDRO CC[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC000804381489 735284385 /nfs/dbraw/zinc/28/43/85/735284385.db2.gz OPDCBJXEZLQYLS-PZBABLGHSA-N 1 0 290.363 1.664 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCO[C@H](C)C1 ZINC000877021934 735184513 /nfs/dbraw/zinc/18/45/13/735184513.db2.gz WUXGREKWVFAEPN-CYBMUJFWSA-N 1 0 264.369 1.511 20 10 CDCDRO [NH3+]C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000843047714 735335608 /nfs/dbraw/zinc/33/56/08/735335608.db2.gz XLKBRLJVGRUGLW-UHFFFAOYSA-N 1 0 250.298 1.044 20 10 CDCDRO [NH3+][C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841051858 735346755 /nfs/dbraw/zinc/34/67/55/735346755.db2.gz ZNCQRYBWOCRLAA-HNNXBMFYSA-N 1 0 293.386 1.489 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](C)O ZINC000387397252 735354634 /nfs/dbraw/zinc/35/46/34/735354634.db2.gz KXCHLWAOLQNJJK-PSASIEDQSA-N 1 0 253.298 1.370 20 10 CDCDRO Nc1ccc(CCNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000818545034 735363109 /nfs/dbraw/zinc/36/31/09/735363109.db2.gz BTBFKJBMMKXATM-UHFFFAOYSA-N 1 0 261.369 1.447 20 10 CDCDRO Fc1cc(CN2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC000258408765 735394707 /nfs/dbraw/zinc/39/47/07/735394707.db2.gz AEGORNVDEURKGK-UHFFFAOYSA-N 1 0 279.359 1.068 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000323041439 735414731 /nfs/dbraw/zinc/41/47/31/735414731.db2.gz OQMVGSOOGXYXDU-SECBINFHSA-N 1 0 252.314 1.015 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050394278 735416403 /nfs/dbraw/zinc/41/64/03/735416403.db2.gz XNLKMBWUAPFTLI-BXKDBHETSA-N 1 0 264.325 1.330 20 10 CDCDRO COc1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)c(O)c1 ZINC000843499363 735459889 /nfs/dbraw/zinc/45/98/89/735459889.db2.gz FTGCOUXGRNZJLJ-OAHLLOKOSA-N 1 0 278.352 1.407 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC000824893031 735462237 /nfs/dbraw/zinc/46/22/37/735462237.db2.gz IYZCYTWMOGGORQ-GXTWGEPZSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CC1CC(O)C1 ZINC000785984601 735488125 /nfs/dbraw/zinc/48/81/25/735488125.db2.gz OIROWPFVXHQXTN-UHFFFAOYSA-N 1 0 251.326 1.604 20 10 CDCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1COCCN1 ZINC000863484112 735859670 /nfs/dbraw/zinc/85/96/70/735859670.db2.gz UEIMPHLIPWKXRQ-MRXNPFEDSA-N 1 0 289.423 1.755 20 10 CDCDRO Oc1cccc(Cl)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873217954 735823134 /nfs/dbraw/zinc/82/31/34/735823134.db2.gz VRBFXNDUBKVLIT-AOOOYVTPSA-N 1 0 252.745 1.982 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000133709383 736205289 /nfs/dbraw/zinc/20/52/89/736205289.db2.gz SWHKACLGBRNIDO-QWHCGFSZSA-N 1 0 291.395 1.327 20 10 CDCDRO Cc1cc(CN2CCO[C@H](C[NH3+])C2)ccc1N(C)C ZINC000923332038 736315477 /nfs/dbraw/zinc/31/54/77/736315477.db2.gz GOCGDHLNRRRNRP-CQSZACIVSA-N 1 0 263.385 1.221 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CN)C2CC2)c1 ZINC000817960403 733176300 /nfs/dbraw/zinc/17/63/00/733176300.db2.gz MUSNBVPGYOBWCC-TVQRCGJNSA-N 1 0 250.342 1.789 20 10 CDCDRO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045715 733228687 /nfs/dbraw/zinc/22/86/87/733228687.db2.gz OTJMIFVVWQPSAE-NILFDRSVSA-N 1 0 263.385 1.519 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1CN(C)CCO1 ZINC000834685491 733293923 /nfs/dbraw/zinc/29/39/23/733293923.db2.gz XNCVODUOSDWKDC-LNSITVRQSA-N 1 0 276.380 1.688 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000883146514 733421428 /nfs/dbraw/zinc/42/14/28/733421428.db2.gz PDLJCBHIYLEZAQ-NOZJJQNGSA-N 1 0 287.306 1.548 20 10 CDCDRO COc1ccc(N(C)CCOCC[NH3+])cc1OC ZINC000843358522 733554889 /nfs/dbraw/zinc/55/48/89/733554889.db2.gz CGXGNOWCRBMVNF-UHFFFAOYSA-N 1 0 254.330 1.115 20 10 CDCDRO C[C@H](C(=O)NCc1cc(Cl)ccc1O)[NH+](C)C ZINC000824213539 733572980 /nfs/dbraw/zinc/57/29/80/733572980.db2.gz QRUZDHGKSNMEJD-MRVPVSSYSA-N 1 0 256.733 1.612 20 10 CDCDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000161667894 733598115 /nfs/dbraw/zinc/59/81/15/733598115.db2.gz FKUWOXDZLFBHHX-UHFFFAOYSA-N 1 0 291.395 1.219 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817410803 733639387 /nfs/dbraw/zinc/63/93/87/733639387.db2.gz HLKYIDNEZJMXDQ-JTQLQIEISA-N 1 0 278.352 1.707 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185330870 733681659 /nfs/dbraw/zinc/68/16/59/733681659.db2.gz XMQOYEOSJCBSJB-JTQLQIEISA-N 1 0 287.381 1.486 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000827340511 733689252 /nfs/dbraw/zinc/68/92/52/733689252.db2.gz DPJVKEKNVFBKLT-UHFFFAOYSA-N 1 0 275.396 1.759 20 10 CDCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956245 733696398 /nfs/dbraw/zinc/69/63/98/733696398.db2.gz ZRXNXTKURQCZIT-OAHLLOKOSA-N 1 0 292.427 1.826 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1F ZINC000865750483 733718246 /nfs/dbraw/zinc/71/82/46/733718246.db2.gz SNACYZMHWHEAST-TZMCWYRMSA-N 1 0 268.332 1.131 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000808228799 733749075 /nfs/dbraw/zinc/74/90/75/733749075.db2.gz LPWABBVWVRGKEQ-NSHDSACASA-N 1 0 278.352 1.407 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)cc1F ZINC000841760289 733769536 /nfs/dbraw/zinc/76/95/36/733769536.db2.gz JUPQZBWVQLMVHG-NSHDSACASA-N 1 0 280.347 1.053 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CC[C@]1(O)CCCOC1)OCO2 ZINC000846112141 733773060 /nfs/dbraw/zinc/77/30/60/733773060.db2.gz XLQCDAGOWWWEKQ-OAHLLOKOSA-N 1 0 295.335 1.142 20 10 CDCDRO C[N@H+](CCNC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000844970099 733794827 /nfs/dbraw/zinc/79/48/27/733794827.db2.gz JUPCSIHYWKWAMS-UHFFFAOYSA-N 1 0 297.786 1.939 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC[NH3+] ZINC000841824454 733809657 /nfs/dbraw/zinc/80/96/57/733809657.db2.gz PDRUHEPAOSCBOQ-UHFFFAOYSA-N 1 0 264.373 1.161 20 10 CDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000071300491 733861089 /nfs/dbraw/zinc/86/10/89/733861089.db2.gz PZZVJBIRTHJXTM-INIZCTEOSA-N 1 0 276.380 1.384 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H](C)O1 ZINC000877612958 733930039 /nfs/dbraw/zinc/93/00/39/733930039.db2.gz ZLHFIOLZBUFDTA-FZMZJTMJSA-N 1 0 279.336 1.463 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c(O)c1 ZINC000877312007 733935607 /nfs/dbraw/zinc/93/56/07/733935607.db2.gz BSJPSIVWFYVUIA-UHFFFAOYSA-N 1 0 276.336 1.775 20 10 CDCDRO CCOC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000312405202 733956713 /nfs/dbraw/zinc/95/67/13/733956713.db2.gz PQGGHRISQUQBGI-HNNXBMFYSA-N 1 0 278.396 1.556 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877782216 733961891 /nfs/dbraw/zinc/96/18/91/733961891.db2.gz NQAOJECLNBOTSE-UHFFFAOYSA-N 1 0 274.364 1.803 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CCN(C(C)C)C2=O)c(O)c1 ZINC000877046885 734044457 /nfs/dbraw/zinc/04/44/57/734044457.db2.gz RHJWQIVBHVKZMD-ZDUSSCGKSA-N 1 0 262.353 1.800 20 10 CDCDRO COCCCNC(=O)C[N@H+](C)Cc1cc(C)ccc1O ZINC000121456608 734045811 /nfs/dbraw/zinc/04/58/11/734045811.db2.gz NIUQNLCGIHZECL-UHFFFAOYSA-N 1 0 280.368 1.285 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)CC[S@](C)=O)c(O)c1 ZINC000877090655 734054760 /nfs/dbraw/zinc/05/47/60/734054760.db2.gz WXBLEQULVJAUOU-GTNSWQLSSA-N 1 0 255.383 1.947 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)O ZINC000824921645 734080732 /nfs/dbraw/zinc/08/07/32/734080732.db2.gz OPDRDBSUVYYMHH-WFASDCNBSA-N 1 0 296.386 1.911 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](CO)c2cnn(C)c2)cc1Cl ZINC000825391414 734104014 /nfs/dbraw/zinc/10/40/14/734104014.db2.gz UYPDFWKLHKJUDV-CYBMUJFWSA-N 1 0 295.770 1.911 20 10 CDCDRO COc1cccc(CN2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000226338771 734116255 /nfs/dbraw/zinc/11/62/55/734116255.db2.gz BILZQOTXMNOBLR-AAEUAGOBSA-N 1 0 264.369 1.960 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CCOC[C@@H]2C)c1O ZINC000848898964 734118772 /nfs/dbraw/zinc/11/87/72/734118772.db2.gz BEBSJAORMLITGL-ZDUSSCGKSA-N 1 0 278.396 1.765 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000840956988 734131712 /nfs/dbraw/zinc/13/17/12/734131712.db2.gz CGVKWOGCUICLJE-CYBMUJFWSA-N 1 0 292.379 1.701 20 10 CDCDRO CC[N@H+](CCCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876766618 734268011 /nfs/dbraw/zinc/26/80/11/734268011.db2.gz OKEILWITVAZZQQ-UHFFFAOYSA-N 1 0 292.423 1.852 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000840957157 734289881 /nfs/dbraw/zinc/28/98/81/734289881.db2.gz GRLIAVFUHKNRRV-SNVBAGLBSA-N 1 0 266.316 1.441 20 10 CDCDRO Cc1ccc(C[NH2+]CCOC[C@@H]2CCCO2)c(O)c1 ZINC000877045095 734291730 /nfs/dbraw/zinc/29/17/30/734291730.db2.gz PNIJIUZFVQCZTH-AWEZNQCLSA-N 1 0 265.353 1.986 20 10 CDCDRO CC[C@H]([NH3+])c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996054 734294426 /nfs/dbraw/zinc/29/44/26/734294426.db2.gz NBPCFUNOKAHMQH-LBPRGKRZSA-N 1 0 292.314 1.784 20 10 CDCDRO COc1cccc(C[NH2+]CCC2(CO)CC2)c1O ZINC000395974549 734296436 /nfs/dbraw/zinc/29/64/36/734296436.db2.gz SQSPANCUJUHRAK-UHFFFAOYSA-N 1 0 251.326 1.653 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000827725650 734335486 /nfs/dbraw/zinc/33/54/86/734335486.db2.gz JOYOWBXWXASZJP-IUODEOHRSA-N 1 0 289.379 1.062 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CC(N)=O)C2)cc1 ZINC000818345922 734344977 /nfs/dbraw/zinc/34/49/77/734344977.db2.gz YCZBHTOQWBCXKV-QWHCGFSZSA-N 1 0 291.395 1.375 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c1O ZINC000788831437 734346996 /nfs/dbraw/zinc/34/69/96/734346996.db2.gz LCMZJDMEVMJPAD-UHFFFAOYSA-N 1 0 288.351 1.835 20 10 CDCDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000837005489 734348482 /nfs/dbraw/zinc/34/84/82/734348482.db2.gz PUWAYMKZPBLTHX-LBPRGKRZSA-N 1 0 292.379 1.963 20 10 CDCDRO [NH3+]CCCCCCC(=O)NCc1ccccc1O ZINC000228423651 734381282 /nfs/dbraw/zinc/38/12/82/734381282.db2.gz MGXQZCQPWYQQHQ-UHFFFAOYSA-N 1 0 250.342 1.918 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000857084645 734388574 /nfs/dbraw/zinc/38/85/74/734388574.db2.gz ZUEYYECLHLGGHU-DGCLKSJQSA-N 1 0 262.353 1.972 20 10 CDCDRO CCc1cccc(C[NH2+]CC(=O)NCC(F)(F)F)c1O ZINC000709487313 734394006 /nfs/dbraw/zinc/39/40/06/734394006.db2.gz ZMBORECIYTWTGP-UHFFFAOYSA-N 1 0 290.285 1.723 20 10 CDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000841953591 734484331 /nfs/dbraw/zinc/48/43/31/734484331.db2.gz JSHLPSMRBYQLTL-ZDUSSCGKSA-N 1 0 279.384 1.907 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c1 ZINC000717354932 734528002 /nfs/dbraw/zinc/52/80/02/734528002.db2.gz RNCIQEAZWWPKFZ-VXGBXAGGSA-N 1 0 252.358 1.274 20 10 CDCDRO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1O ZINC000036828482 734648989 /nfs/dbraw/zinc/64/89/89/734648989.db2.gz YSQCSJKZZZQDBC-NSHDSACASA-N 1 0 298.408 1.467 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1Cl ZINC000825520227 734666910 /nfs/dbraw/zinc/66/69/10/734666910.db2.gz XFALHSYNDCPWPD-AWEZNQCLSA-N 1 0 284.787 1.510 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000322967804 734705471 /nfs/dbraw/zinc/70/54/71/734705471.db2.gz WEPZEXMAKYTPJV-QMMMGPOBSA-N 1 0 286.759 1.668 20 10 CDCDRO CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)COC1 ZINC000877691734 734715986 /nfs/dbraw/zinc/71/59/86/734715986.db2.gz USBHQINTACKMBV-UHFFFAOYSA-N 1 0 262.353 1.402 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000817418986 734739716 /nfs/dbraw/zinc/73/97/16/734739716.db2.gz NLTROEPUSRCSEE-CYBMUJFWSA-N 1 0 286.383 1.234 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c(O)c1 ZINC000858602062 734745747 /nfs/dbraw/zinc/74/57/47/734745747.db2.gz PHQSUWQXUBPPBH-KGLIPLIRSA-N 1 0 278.396 1.726 20 10 CDCDRO CO[C@H](C[NH3+])CC(=O)NCCCSc1nccs1 ZINC000829528237 734837924 /nfs/dbraw/zinc/83/79/24/734837924.db2.gz NAJAQBKLJLTUCL-VIFPVBQESA-N 1 0 289.426 1.105 20 10 CDCDRO CC(C)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[NH2+]1 ZINC000843103885 734854301 /nfs/dbraw/zinc/85/43/01/734854301.db2.gz DRLMFEQTRHHDJJ-GFCCVEGCSA-N 1 0 278.352 1.551 20 10 CDCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000825256832 734892827 /nfs/dbraw/zinc/89/28/27/734892827.db2.gz JHAMVIZKLHXRGG-BETUJISGSA-N 1 0 280.343 1.275 20 10 CDCDRO C[N@H+](CCOCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000800545271 734896133 /nfs/dbraw/zinc/89/61/33/734896133.db2.gz LLWARJUSPONREC-UHFFFAOYSA-N 1 0 277.723 1.625 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000843052442 734908067 /nfs/dbraw/zinc/90/80/67/734908067.db2.gz UDJWKNBGRRPBPM-RISCZKNCSA-N 1 0 264.369 1.960 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000828667289 734928078 /nfs/dbraw/zinc/92/80/78/734928078.db2.gz PBTNKHQEHXDZKB-GXFFZTMASA-N 1 0 280.368 1.951 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)NC(N)=O)cc1 ZINC000818964810 734939363 /nfs/dbraw/zinc/93/93/63/734939363.db2.gz IJFIERBLVRLBHF-UHFFFAOYSA-N 1 0 292.383 1.207 20 10 CDCDRO CCn1ncnc1CNCc1ccc(N(C)C)cc1C ZINC000840940719 734940875 /nfs/dbraw/zinc/94/08/75/734940875.db2.gz CNDWQCLKNIUGLZ-UHFFFAOYSA-N 1 0 273.384 1.962 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1cccc(OC)c1O ZINC000841986670 735001593 /nfs/dbraw/zinc/00/15/93/735001593.db2.gz UVCSFUIEOJQHAX-SNVBAGLBSA-N 1 0 281.356 1.198 20 10 CDCDRO CS(=O)(=O)NCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921501041 735054471 /nfs/dbraw/zinc/05/44/71/735054471.db2.gz IFRCFUKEUHBQCF-UHFFFAOYSA-N 1 0 298.408 1.041 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000877118473 735067615 /nfs/dbraw/zinc/06/76/15/735067615.db2.gz CFZSRUZWDDKPJH-GFCCVEGCSA-N 1 0 298.408 1.072 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)c1 ZINC000827500503 735114822 /nfs/dbraw/zinc/11/48/22/735114822.db2.gz BGCKJMRJADIRRI-KLPPZKSPSA-N 1 0 279.336 1.832 20 10 CDCDRO CC(=O)c1cc(Cl)cc(Cn2cc([C@@H](C)[NH3+])nn2)c1O ZINC000880999062 735115284 /nfs/dbraw/zinc/11/52/84/735115284.db2.gz FIRKUZMRAVAZRY-SSDOTTSWSA-N 1 0 294.742 1.908 20 10 CDCDRO Oc1cccc(Br)c1C[NH2+][C@H]1COC[C@H]1O ZINC000706805278 735128671 /nfs/dbraw/zinc/12/86/71/735128671.db2.gz XHFYGOHMBIUECW-GXSJLCMTSA-N 1 0 288.141 1.004 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(F)ccc1O ZINC000858602099 735176470 /nfs/dbraw/zinc/17/64/70/735176470.db2.gz QAMYAYAMWRSXNG-PWSUYJOCSA-N 1 0 268.332 1.249 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H](C)[C@H]2C[NH3+])cc1OC ZINC000843051765 735181098 /nfs/dbraw/zinc/18/10/98/735181098.db2.gz LNFNBNGTZMRYDJ-WCQYABFASA-N 1 0 294.395 1.969 20 10 CDCDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841078534 735642841 /nfs/dbraw/zinc/64/28/41/735642841.db2.gz UNKNRGHKRVDREA-IAZYJMLFSA-N 1 0 297.196 1.771 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccccc1O ZINC000870988159 735703244 /nfs/dbraw/zinc/70/32/44/735703244.db2.gz HFICICNWDBDHCD-AXAPSJFSSA-N 1 0 274.364 1.959 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1 ZINC000190051357 735718282 /nfs/dbraw/zinc/71/82/82/735718282.db2.gz CYWPBHSFQUMRHU-GWCFXTLKSA-N 1 0 251.326 1.604 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921914513 735849079 /nfs/dbraw/zinc/84/90/79/735849079.db2.gz JXKLAMZCVXUAIU-UHFFFAOYSA-N 1 0 276.380 1.873 20 10 CDCDRO O=C1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CN1C1CC1 ZINC000846075502 735849973 /nfs/dbraw/zinc/84/99/73/735849973.db2.gz PLFZXYKSMNSIQF-ZDUSSCGKSA-N 1 0 286.375 1.722 20 10 CDCDRO C[C@H](C(=O)N(C)C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700809621 735872524 /nfs/dbraw/zinc/87/25/24/735872524.db2.gz RINYVPDMJYYRBP-LLVKDONJSA-N 1 0 261.369 1.375 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841086410 735876861 /nfs/dbraw/zinc/87/68/61/735876861.db2.gz NLIWYZXNQGXHNI-INIZCTEOSA-N 1 0 277.412 1.529 20 10 CDCDRO C[NH2+][C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000843048751 735878055 /nfs/dbraw/zinc/87/80/55/735878055.db2.gz VWAWPMJUSPBHCN-GFCCVEGCSA-N 1 0 280.368 1.593 20 10 CDCDRO COCCN1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876986638 736000120 /nfs/dbraw/zinc/00/01/20/736000120.db2.gz JNYBRRSNQMXHLR-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1O ZINC000840975339 736148450 /nfs/dbraw/zinc/14/84/50/736148450.db2.gz NIHIBYALHUKRDC-BXKDBHETSA-N 1 0 271.744 1.221 20 10 CDCDRO CO[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000378749837 736233322 /nfs/dbraw/zinc/23/33/22/736233322.db2.gz JOAVMOXKVASRRD-CQSZACIVSA-N 1 0 265.309 1.636 20 10 CDCDRO CCN1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1=O ZINC000787233610 736285281 /nfs/dbraw/zinc/28/52/81/736285281.db2.gz QFZHHIRRVUNMRK-UHFFFAOYSA-N 1 0 299.374 1.995 20 10 CDCDRO [O-]c1c(Cl)cccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841030508 736298792 /nfs/dbraw/zinc/29/87/92/736298792.db2.gz SJDYUKXSANPEAM-UHFFFAOYSA-N 1 0 283.803 1.431 20 10 CDCDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H]1CCOC1)CCC2 ZINC001202530769 1165174578 /nfs/dbraw/zinc/17/45/78/1165174578.db2.gz USCONORMAYUTFJ-NSHDSACASA-N 1 0 263.337 1.883 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2c(O)ccc(F)c2F)CC[C@H]1F ZINC001206200638 912569293 /nfs/dbraw/zinc/56/92/93/912569293.db2.gz SIRJQFNNCRJIML-KOLCDFICSA-N 1 0 274.286 1.932 20 10 CDCDRO Oc1ccc(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)cc1O ZINC001173754990 912798002 /nfs/dbraw/zinc/79/80/02/912798002.db2.gz FQBBONMANIYKMI-RYUDHWBXSA-N 1 0 289.339 1.358 20 10 CDCDRO Cc1cc(Nc2cc(S(C)(=O)=O)ccc2O)cc[nH+]1 ZINC001174657017 913295454 /nfs/dbraw/zinc/29/54/54/913295454.db2.gz ZCLQTPOAVSIBSZ-UHFFFAOYSA-N 1 0 278.333 1.665 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000690787922 898213950 /nfs/dbraw/zinc/21/39/50/898213950.db2.gz BPNFHFIFHRCRFO-YPMHNXCESA-N 1 0 263.337 1.869 20 10 CDCDRO CCOC(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161139 899830994 /nfs/dbraw/zinc/83/09/94/899830994.db2.gz ALVWUXLGEVETIF-UHFFFAOYSA-N 1 0 294.351 1.808 20 10 CDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1c(O)ccc(F)c1F)C2 ZINC001235993293 914505629 /nfs/dbraw/zinc/50/56/29/914505629.db2.gz QZDCUKXSUKQABD-OQPBUACISA-N 1 0 254.280 1.594 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001236172183 914728556 /nfs/dbraw/zinc/72/85/56/914728556.db2.gz GFHQTKJFZCGRFO-VIFPVBQESA-N 1 0 260.259 1.944 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001142586972 909508375 /nfs/dbraw/zinc/50/83/75/909508375.db2.gz WWDLSPZIKXYIMH-UHFFFAOYSA-N 1 0 292.379 1.713 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2cc(O)ccc2O)CC(F)(F)C1 ZINC001206133214 909605679 /nfs/dbraw/zinc/60/56/79/909605679.db2.gz ZSUQXXBUCJACHV-VIFPVBQESA-N 1 0 258.268 1.266 20 10 CDCDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922576128 921679821 /nfs/dbraw/zinc/67/98/21/921679821.db2.gz UNRIBKRVKMABEN-CQSZACIVSA-N 1 0 293.386 1.456 20 10 CDCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001172597980 911762542 /nfs/dbraw/zinc/76/25/42/911762542.db2.gz PZJYHUUZIDZEOG-JQWIXIFHSA-N 1 0 279.336 1.919 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C)CC2)cc1 ZINC000832267670 936570663 /nfs/dbraw/zinc/57/06/63/936570663.db2.gz YXZNZDHLYMRGRE-ZDUSSCGKSA-N 1 0 261.369 1.669 20 10 CDCDRO COc1cc(O)c(C[N@H+]2CCC(=O)N(C)CC2)cc1OC ZINC000827359308 936589011 /nfs/dbraw/zinc/58/90/11/936589011.db2.gz LJAYGRQQWKBSAD-UHFFFAOYSA-N 1 0 294.351 1.074 20 10 CDCDRO COc1cc(CN2CCC(=O)CC2)cc(C[NH+](C)C)c1O ZINC001139256391 936611769 /nfs/dbraw/zinc/61/17/69/936611769.db2.gz ZWQZGMVXXJBUHD-UHFFFAOYSA-N 1 0 292.379 1.627 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH2+]C(C)(C)C ZINC001116669870 920044644 /nfs/dbraw/zinc/04/46/44/920044644.db2.gz MFTHRXSAZVTPIR-JTQLQIEISA-N 1 0 280.368 1.533 20 10 CDCDRO COC(=O)C1(O)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140059923 936674802 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ZINC001140747878 936749472 /nfs/dbraw/zinc/74/94/72/936749472.db2.gz NRLMGEIPNKQRJE-CZUORRHYSA-N 1 0 276.380 1.790 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC001140749399 936749491 /nfs/dbraw/zinc/74/94/91/936749491.db2.gz YBZWUUHHKGDYRF-UHFFFAOYSA-N 1 0 292.335 1.481 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)c1 ZINC001140948140 936782150 /nfs/dbraw/zinc/78/21/50/936782150.db2.gz VHUJWHPOYDFOLQ-QWHCGFSZSA-N 1 0 253.317 1.995 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001118031198 922865525 /nfs/dbraw/zinc/86/55/25/922865525.db2.gz AFDIACQTSVZDKU-MNOVXSKESA-N 1 0 295.383 1.759 20 10 CDCDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C2)c(OC)c1 ZINC001141032101 936795484 /nfs/dbraw/zinc/79/54/84/936795484.db2.gz SCKGXXXUARHUJL-JTQLQIEISA-N 1 0 267.325 1.630 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)C2)c(OC)c1 ZINC001141027264 936793930 /nfs/dbraw/zinc/79/39/30/936793930.db2.gz SEZUWEHNPNSSGI-SNVBAGLBSA-N 1 0 267.325 1.224 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1O ZINC001141141113 936818466 /nfs/dbraw/zinc/81/84/66/936818466.db2.gz UEGDMPGCJLUVCL-DOMZBBRYSA-N 1 0 276.380 1.718 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1C ZINC000840962611 936969768 /nfs/dbraw/zinc/96/97/68/936969768.db2.gz LPJMVFLHHLYILZ-HIFRSBDPSA-N 1 0 279.380 1.886 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203876015 925118539 /nfs/dbraw/zinc/11/85/39/925118539.db2.gz ZSJRNRQCACDBLW-PWSUYJOCSA-N 1 0 251.326 1.691 20 10 CDCDRO Cc1cccc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c1O ZINC001273771000 925511749 /nfs/dbraw/zinc/51/17/49/925511749.db2.gz YUKITXNRFSMHBS-INIZCTEOSA-N 1 0 274.364 1.897 20 10 CDCDRO CCc1cccc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1O ZINC000691457012 928879082 /nfs/dbraw/zinc/87/90/82/928879082.db2.gz YGQZBKAESJLABA-UHFFFAOYSA-N 1 0 285.409 1.867 20 10 CDCDRO CCOc1cccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1O ZINC001206117865 931761947 /nfs/dbraw/zinc/76/19/47/931761947.db2.gz XXSAJAWYNDOQGU-NSHDSACASA-N 1 0 286.322 1.959 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)c1 ZINC001144499411 931858811 /nfs/dbraw/zinc/85/88/11/931858811.db2.gz GEGCSTWABJKNHW-CQSZACIVSA-N 1 0 285.315 1.490 20 10 CDCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499878 931859091 /nfs/dbraw/zinc/85/90/91/931859091.db2.gz NJTJNLJFKHFGBC-BDAKNGLRSA-N 1 0 253.298 1.149 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)c1 ZINC001144500430 931860432 /nfs/dbraw/zinc/86/04/32/931860432.db2.gz TZEFVPBHCVLRDK-WDEREUQCSA-N 1 0 271.288 1.098 20 10 CDCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515365 931878801 /nfs/dbraw/zinc/87/88/01/931878801.db2.gz LEZNEXJLAVMDMM-CYBMUJFWSA-N 1 0 267.325 1.539 20 10 CDCDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515598 931880725 /nfs/dbraw/zinc/88/07/25/931880725.db2.gz RTDLTZOFZGCLTA-GFCCVEGCSA-N 1 0 265.309 1.747 20 10 CDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)c(F)cc1O)C2 ZINC001275773154 932015589 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COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC001205140528 939827390 /nfs/dbraw/zinc/82/73/90/939827390.db2.gz LVVDUGRKLYLBHH-WDEREUQCSA-N 1 0 280.368 1.436 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000179579865 940829151 /nfs/dbraw/zinc/82/91/51/940829151.db2.gz OPKZBYXKHWMOLT-NSHDSACASA-N 1 0 264.325 1.241 20 10 CDCDRO Nc1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC001524009482 970788629 /nfs/dbraw/zinc/78/86/29/970788629.db2.gz SSCCIFCLDHQMJY-UHFFFAOYSA-N 1 0 287.388 1.906 20 10 CDCDRO O=C(Nc1cn[nH]c1)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277441455 942577752 /nfs/dbraw/zinc/57/77/52/942577752.db2.gz KXFWZWJXQSSDMA-CYBMUJFWSA-N 1 0 298.346 1.576 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c(O)c1 ZINC001277454324 942612501 /nfs/dbraw/zinc/61/25/01/942612501.db2.gz QWYGALRDHFHKIV-JJLQDPRZSA-N 1 0 290.363 1.344 20 10 CDCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231449354 942893227 /nfs/dbraw/zinc/89/32/27/942893227.db2.gz JHEKSUJRVHVLIY-OCCSQVGLSA-N 1 0 290.363 1.474 20 10 CDCDRO CCC[N@H+](CCOC)Cc1cc(OC)c(O)cc1O ZINC001231634015 942949490 /nfs/dbraw/zinc/94/94/90/942949490.db2.gz GCZHUOYUJJWGTM-UHFFFAOYSA-N 1 0 269.341 1.965 20 10 CDCDRO COc1cc(CN2CC[N@H+](C)C(C)(C)C2)c(O)cc1O ZINC001231638156 942954511 /nfs/dbraw/zinc/95/45/11/942954511.db2.gz WBZVQIPLRHREJQ-UHFFFAOYSA-N 1 0 280.368 1.632 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[C@H]([NH+](C)C)C1 ZINC001231848930 943028126 /nfs/dbraw/zinc/02/81/26/943028126.db2.gz LOPKIOSDUDETMM-HNNXBMFYSA-N 1 0 277.412 1.897 20 10 CDCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232198043 943166610 /nfs/dbraw/zinc/16/66/10/943166610.db2.gz FRLZCDLUJUZSGE-CYBMUJFWSA-N 1 0 296.798 1.743 20 10 CDCDRO C[NH+](C)C1(C)CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232269225 943196076 /nfs/dbraw/zinc/19/60/76/943196076.db2.gz YFZUYKNUDHRVHI-UHFFFAOYSA-N 1 0 270.760 1.887 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C)CC2)c(O)c1 ZINC001232834720 943413331 /nfs/dbraw/zinc/41/33/31/943413331.db2.gz KNXGTEMBEIVWLR-UHFFFAOYSA-N 1 0 263.385 1.596 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)c1 ZINC001232836101 943414374 /nfs/dbraw/zinc/41/43/74/943414374.db2.gz KWKRNBVXJIPLEK-UONOGXRCSA-N 1 0 282.359 1.753 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2)c(O)c1 ZINC001232839593 943416166 /nfs/dbraw/zinc/41/61/66/943416166.db2.gz RDXXTEXNXNRCNR-AWEZNQCLSA-N 1 0 263.385 1.594 20 10 CDCDRO C[C@]1(CO)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009818 943460381 /nfs/dbraw/zinc/46/03/81/943460381.db2.gz CGPKEWDNLZGBLA-HNNXBMFYSA-N 1 0 281.352 1.788 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014037 943463287 /nfs/dbraw/zinc/46/32/87/943463287.db2.gz XDYWBPBIDWRXFL-NSHDSACASA-N 1 0 266.341 1.329 20 10 CDCDRO Oc1cc(CN2CCC[C@@]3(CCO3)C2)cc(O)c1O ZINC001233016548 943464533 /nfs/dbraw/zinc/46/45/33/943464533.db2.gz HGEBCLZMCNCAMY-CQSZACIVSA-N 1 0 265.309 1.558 20 10 CDCDRO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C[C@H](O)CO ZINC001233284650 943532365 /nfs/dbraw/zinc/53/23/65/943532365.db2.gz CMYHTGAKEYEWCG-ZDUSSCGKSA-N 1 0 267.369 1.475 20 10 CDCDRO CC1(O)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483051 943591182 /nfs/dbraw/zinc/59/11/82/943591182.db2.gz MGXAQCFOLXSXBR-UHFFFAOYSA-N 1 0 253.298 1.150 20 10 CDCDRO O=C1CC[N@@H+](Cc2cc(O)c(O)cc2O)C[C@@H]2CCCN12 ZINC001233487926 943595932 /nfs/dbraw/zinc/59/59/32/943595932.db2.gz XCVJJDUBMCQJIC-NSHDSACASA-N 1 0 292.335 1.000 20 10 CDCDRO CC[N@@H+]1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233949294 943699291 /nfs/dbraw/zinc/69/92/91/943699291.db2.gz CPAYIBJRGQCKKB-SECBINFHSA-N 1 0 275.308 1.514 20 10 CDCDRO CC[NH+]1CCC(Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233949368 943699765 /nfs/dbraw/zinc/69/97/65/943699765.db2.gz FBSMXMHMIOHPAK-UHFFFAOYSA-N 1 0 289.335 1.904 20 10 CDCDRO Oc1cc(Cl)ccc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234985624 943995775 /nfs/dbraw/zinc/99/57/75/943995775.db2.gz CVJRSEZGFQNNJO-CQSZACIVSA-N 1 0 281.787 1.183 20 10 CDCDRO O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(O)cc1 ZINC000722213318 944109241 /nfs/dbraw/zinc/10/92/41/944109241.db2.gz VDIWGAWZRNXBDK-UHFFFAOYSA-N 1 0 270.354 1.134 20 10 CDCDRO CC[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)OCCN2C ZINC001235772609 944271045 /nfs/dbraw/zinc/27/10/45/944271045.db2.gz PWPIZGUWFYMSNR-CQSZACIVSA-N 1 0 275.396 1.699 20 10 CDCDRO CN1CCOc2cc(CN3C[C@@H]4C[C@]4([NH3+])C3)ccc21 ZINC001236022882 944378636 /nfs/dbraw/zinc/37/86/36/944378636.db2.gz FADLPRPMMDXRQF-WFASDCNBSA-N 1 0 259.353 1.048 20 10 CDCDRO [NH3+]C[C@H]1CCCN1Cc1cc(Cl)c(O)cc1O ZINC001236251267 944437561 /nfs/dbraw/zinc/43/75/61/944437561.db2.gz RHAYSVWKJYMZJZ-SECBINFHSA-N 1 0 256.733 1.674 20 10 CDCDRO CCc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001236784385 944567135 /nfs/dbraw/zinc/56/71/35/944567135.db2.gz VWNGJMWPSYIFPF-OLZOCXBDSA-N 1 0 253.317 1.859 20 10 CDCDRO COc1cc(C)c(C[NH+]2CCC(C)(C(N)=O)CC2)c(O)c1 ZINC001236814826 944578286 /nfs/dbraw/zinc/57/82/86/944578286.db2.gz WRPQJFMEBPXHPK-UHFFFAOYSA-N 1 0 292.379 1.797 20 10 CDCDRO COc1cc(C)c(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001236818576 944579808 /nfs/dbraw/zinc/57/98/08/944579808.db2.gz OQHFIPDWCHKPAA-UHFFFAOYSA-N 1 0 263.337 1.787 20 10 CDCDRO COc1cc(C)c(C[NH+]2CCC(NC(C)=O)CC2)c(O)c1 ZINC001236819647 944579879 /nfs/dbraw/zinc/57/98/79/944579879.db2.gz YMMCZBPVYCERRA-UHFFFAOYSA-N 1 0 292.379 1.810 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCOCC3)c(F)c2)CC1 ZINC001236932482 944618636 /nfs/dbraw/zinc/61/86/36/944618636.db2.gz PHVYPQJINMAUIG-UHFFFAOYSA-N 1 0 293.386 1.410 20 10 CDCDRO CCOc1ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c(O)c1 ZINC001237043835 944643509 /nfs/dbraw/zinc/64/35/09/944643509.db2.gz JMEVYMPPROMDCG-YPMHNXCESA-N 1 0 283.343 1.943 20 10 CDCDRO Oc1cc(O)c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237410292 944762965 /nfs/dbraw/zinc/76/29/65/944762965.db2.gz COEQQRICMAMGFM-CMPLNLGQSA-N 1 0 278.352 1.377 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001237484317 944809581 /nfs/dbraw/zinc/80/95/81/944809581.db2.gz BHPBCZDJYOLVBQ-XNRPHZJLSA-N 1 0 277.364 1.672 20 10 CDCDRO CCN1CCO[C@@H]2C[N@H+](Cc3c(C)cccc3O)C[C@@H]2C1 ZINC001237488833 944814384 /nfs/dbraw/zinc/81/43/84/944814384.db2.gz RUEPOZRCTUZIGS-WMLDXEAASA-N 1 0 290.407 1.853 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c(OC)c1 ZINC001237674738 944916875 /nfs/dbraw/zinc/91/68/75/944916875.db2.gz MGFXUMRARXEEQQ-CHWSQXEVSA-N 1 0 299.342 1.704 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001238063726 945043931 /nfs/dbraw/zinc/04/39/31/945043931.db2.gz LXSNPYMFEDPFHG-DZGCQCFKSA-N 1 0 283.343 1.405 20 10 CDCDRO Cc1cc(F)cc(CN2CCO[C@H](C[NH+](C)C)C2)c1O ZINC001238065655 945046913 /nfs/dbraw/zinc/04/69/13/945046913.db2.gz XCDPYAURCZHLSY-CQSZACIVSA-N 1 0 282.359 1.602 20 10 CDCDRO CCn1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1=O ZINC001240491125 945885581 /nfs/dbraw/zinc/88/55/81/945885581.db2.gz GHHWWZRCQHINMG-UHFFFAOYSA-N 1 0 284.363 1.340 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001261376139 946083645 /nfs/dbraw/zinc/08/36/45/946083645.db2.gz INEXELLMRCKGAQ-LLVKDONJSA-N 1 0 296.390 1.689 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)N(C)Cc1ccccc1O ZINC001261376838 946086179 /nfs/dbraw/zinc/08/61/79/946086179.db2.gz ZPSZUAMLYPHHDM-LLVKDONJSA-N 1 0 265.357 1.389 20 10 CDCDRO Cn1ccc2c1ccnc2-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241894570 946493024 /nfs/dbraw/zinc/49/30/24/946493024.db2.gz BLKIDBZSCHKCPS-UHFFFAOYSA-N 1 0 294.362 1.440 20 10 CDCDRO O=C1C[C@H]2C[C@H]([NH2+]CCc3cc(O)c(O)cc3O)C[C@H]2C1 ZINC001254930537 947658688 /nfs/dbraw/zinc/65/86/88/947658688.db2.gz IGYZLBGQEIKQRW-GDNZZTSVSA-N 1 0 291.347 1.693 20 10 CDCDRO CC[NH+](CC)Cc1ccc(CC(=O)OC)cc1O ZINC001249174178 949444798 /nfs/dbraw/zinc/44/47/98/949444798.db2.gz ZRRHTKFAXYJGIL-UHFFFAOYSA-N 1 0 251.326 1.950 20 10 CDCDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COC(C)C)c(O)c1 ZINC001252700258 951597235 /nfs/dbraw/zinc/59/72/35/951597235.db2.gz VHYNXNSQBPTAJW-CYBMUJFWSA-N 1 0 267.369 1.885 20 10 CDCDRO COC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252817089 951659889 /nfs/dbraw/zinc/65/98/89/951659889.db2.gz XWKIDCBCXLJERZ-INIZCTEOSA-N 1 0 278.396 1.726 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCSC2)c(O)c1OC ZINC001333697731 953989299 /nfs/dbraw/zinc/98/92/99/953989299.db2.gz KTEZXKRCELKDDK-AWEZNQCLSA-N 1 0 299.392 1.367 20 10 CDCDRO Fc1cc(C[NH2+][C@H]2CCOC2)ccc1N1CCOCC1 ZINC001308342243 956517787 /nfs/dbraw/zinc/51/77/87/956517787.db2.gz LSUCXIMNDDMNEI-ZDUSSCGKSA-N 1 0 280.343 1.541 20 10 CDCDRO CCC[N@H+](CCO)Cc1c(C)cc(OC)cc1O ZINC001308663819 956559702 /nfs/dbraw/zinc/55/97/02/956559702.db2.gz UKQYMAGLSKBKBP-UHFFFAOYSA-N 1 0 253.342 1.914 20 10 CDCDRO CC(C)c1ccc(O)c(C[N@H+](C)CCS(N)(=O)=O)c1 ZINC001308925325 956598051 /nfs/dbraw/zinc/59/80/51/956598051.db2.gz OAGUUYNGMIBRKW-UHFFFAOYSA-N 1 0 286.397 1.236 20 10 CDCDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC001332156020 957454062 /nfs/dbraw/zinc/45/40/62/957454062.db2.gz DPXWHSAUTXGLFX-CQSZACIVSA-N 1 0 275.396 1.659 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001336225979 960261566 /nfs/dbraw/zinc/26/15/66/960261566.db2.gz UWTPEXNLEGZIIE-HUUCEWRRSA-N 1 0 288.395 1.695 20 10 CDCDRO Nc1ccc(CCNC(=O)NC2CC3(CC([NH3+])C3)C2)cc1 ZINC001346480067 965135310 /nfs/dbraw/zinc/13/53/10/965135310.db2.gz ZYIHBTYKJVWJJV-UHFFFAOYSA-N 1 0 288.395 1.380 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccc(N(C)C)cc1 ZINC001347648640 965637865 /nfs/dbraw/zinc/63/78/65/965637865.db2.gz UKFBUWPWSFXVHR-BXUZGUMPSA-N 1 0 277.368 1.854 20 10 CDCDRO Nc1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC001353416679 967965991 /nfs/dbraw/zinc/96/59/91/967965991.db2.gz QZKOFTQDUPCBEG-GFCCVEGCSA-N 1 0 262.357 1.068 20 10 CDCDRO Nc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)cc1 ZINC001356082628 969328882 /nfs/dbraw/zinc/32/88/82/969328882.db2.gz AAZIOEFNZLTRBH-UHFFFAOYSA-N 1 0 261.325 1.343 20 10 CDCDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(N)cc1 ZINC001356228072 969361520 /nfs/dbraw/zinc/36/15/20/969361520.db2.gz NSRCJCCZDKKDAE-UHFFFAOYSA-N 1 0 291.395 1.243 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001577172269 1171612701 /nfs/dbraw/zinc/61/27/01/1171612701.db2.gz RVKJPJJYFRDAIJ-FZMZJTMJSA-N 1 0 263.385 1.928 20 10 CDCDRO CC[C@H]([NH2+]CCCNC(C)=O)c1ccccc1O ZINC000121107452 343221086 /nfs/dbraw/zinc/22/10/86/343221086.db2.gz CLEFKDQQCPMHSJ-ZDUSSCGKSA-N 1 0 250.342 1.959 20 10 CDCDRO C[NH+]1CCN(CCC[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000159732227 362360262 /nfs/dbraw/zinc/36/02/62/362360262.db2.gz RTAQVJBISCUYPQ-UHFFFAOYSA-N 1 0 297.830 1.773 20 10 CDCDRO COc1ccc(N2CC[NH+](Cc3cc[nH]c(=O)c3)CC2)cc1 ZINC000075552101 346733471 /nfs/dbraw/zinc/73/34/71/346733471.db2.gz HXHOZTBSKDQSRT-UHFFFAOYSA-N 1 0 299.374 1.706 20 10 CDCDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C ZINC000042880320 357082900 /nfs/dbraw/zinc/08/29/00/357082900.db2.gz NIDKRABQYIHSGU-SECBINFHSA-N 1 0 252.314 1.161 20 10 CDCDRO CC(C)[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1O ZINC000180070407 357240810 /nfs/dbraw/zinc/24/08/10/357240810.db2.gz JUBUDINVEZWAEM-CYBMUJFWSA-N 1 0 266.316 1.488 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000179665682 357218717 /nfs/dbraw/zinc/21/87/17/357218717.db2.gz QTMVRUYQFGXUHP-UHFFFAOYSA-N 1 0 279.336 1.740 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H](O)C2)ccc1OC ZINC000294837644 199206747 /nfs/dbraw/zinc/20/67/47/199206747.db2.gz MEIRFDGNYCJLNB-OKILXGFUSA-N 1 0 265.353 1.845 20 10 CDCDRO COCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236045 359196938 /nfs/dbraw/zinc/19/69/38/359196938.db2.gz YQZGAGYJZYJTPA-GFCCVEGCSA-N 1 0 280.368 1.365 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC[C@@H](C)CO)c1 ZINC000224939306 359538180 /nfs/dbraw/zinc/53/81/80/359538180.db2.gz OXKUZRYFWCYYIY-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCOCC2CC2)c1 ZINC000224809053 359529208 /nfs/dbraw/zinc/52/92/08/359529208.db2.gz YJVUJWVEVQJDGI-UHFFFAOYSA-N 1 0 251.326 1.917 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(O)c1O ZINC000267602386 363855134 /nfs/dbraw/zinc/85/51/34/363855134.db2.gz PPOCOMXEMADVGT-SNVBAGLBSA-N 1 0 264.325 1.088 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H](O)COC)c1ccc(N(C)C)cc1 ZINC000268893246 364110712 /nfs/dbraw/zinc/11/07/12/364110712.db2.gz KDEIRAZHYGVFTL-CABCVRRESA-N 1 0 266.385 1.801 20 10 CDCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH3+])cc2F)C[C@H](C)O1 ZINC000269235412 364165386 /nfs/dbraw/zinc/16/53/86/364165386.db2.gz GMCPIOHTCMTWIQ-PHIMTYICSA-N 1 0 295.358 1.014 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c(O)c1C ZINC000273612173 365513916 /nfs/dbraw/zinc/51/39/16/365513916.db2.gz WLIINLVSXIQXIO-GJZGRUSLSA-N 1 0 291.439 1.905 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)c(O)c1C ZINC000273524596 365503760 /nfs/dbraw/zinc/50/37/60/365503760.db2.gz UYCICBBZPFLJTO-SWLSCSKDSA-N 1 0 265.353 1.811 20 10 CDCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(F)ccc1O ZINC000273526909 365504181 /nfs/dbraw/zinc/50/41/81/365504181.db2.gz VKPHFRXHCYTQDC-NOZJJQNGSA-N 1 0 279.315 1.649 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H](CO)CCOC)c(O)c1 ZINC000282184403 367762760 /nfs/dbraw/zinc/76/27/60/367762760.db2.gz KHIUVYXCVSBIGN-ZDUSSCGKSA-N 1 0 283.368 1.668 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1O ZINC000287238774 369133911 /nfs/dbraw/zinc/13/39/11/369133911.db2.gz GIDJNIHBCAEJIP-CHWSQXEVSA-N 1 0 297.326 1.052 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cccc(OC)c2O)[C@@H](C)C1 ZINC000289199482 369531537 /nfs/dbraw/zinc/53/15/37/369531537.db2.gz BGEJDIODZMINOR-LBPRGKRZSA-N 1 0 264.369 1.927 20 10 CDCDRO Cc1cc(CN2CCN(C)C(=O)C2)ccc1N(C)C ZINC000293085248 370509844 /nfs/dbraw/zinc/50/98/44/370509844.db2.gz MSZLPFIACOFHSU-UHFFFAOYSA-N 1 0 261.369 1.335 20 10 CDCDRO COc1cc(O)c(CN(C2CC2)C2COC2)cc1OC ZINC000296019421 371564132 /nfs/dbraw/zinc/56/41/32/371564132.db2.gz MEYUAOJMELMVMY-UHFFFAOYSA-N 1 0 279.336 1.773 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CCO)c1O ZINC000228674918 390937108 /nfs/dbraw/zinc/93/71/08/390937108.db2.gz PGYNXPXPSSIRSR-QMMMGPOBSA-N 1 0 259.733 1.915 20 10 CDCDRO C[NH+](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174513747 391122940 /nfs/dbraw/zinc/12/29/40/391122940.db2.gz OYZOKCMNGNSOSL-UHFFFAOYSA-N 1 0 262.353 1.449 20 10 CDCDRO CC(C)N1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000177676355 391173862 /nfs/dbraw/zinc/17/38/62/391173862.db2.gz HESDZLJCVUHNKU-CYBMUJFWSA-N 1 0 262.353 1.833 20 10 CDCDRO Cc1ccc(C(=O)NCCC[NH+](C)C)c(O)c1O ZINC000179383745 391203896 /nfs/dbraw/zinc/20/38/96/391203896.db2.gz GOWLVGDWUQWFBY-UHFFFAOYSA-N 1 0 252.314 1.088 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccccc1O ZINC000183543308 391266501 /nfs/dbraw/zinc/26/65/01/391266501.db2.gz ALIGPDPJCLREIP-GWCFXTLKSA-N 1 0 253.367 1.911 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363151 260094793 /nfs/dbraw/zinc/09/47/93/260094793.db2.gz CTXLQBWRVOTPGD-CYBMUJFWSA-N 1 0 276.380 1.432 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(O)c1O ZINC000272909089 263009923 /nfs/dbraw/zinc/00/99/23/263009923.db2.gz JIWUYKUNGUAVIF-NSHDSACASA-N 1 0 290.363 1.786 20 10 CDCDRO COc1cccc(C[NH2+]CCN2CCCOCC2)c1O ZINC000289565804 263110736 /nfs/dbraw/zinc/11/07/36/263110736.db2.gz ZDNZMTLXHOFBNF-UHFFFAOYSA-N 1 0 280.368 1.213 20 10 CDCDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(F)ccc1O ZINC000293864268 263151051 /nfs/dbraw/zinc/15/10/51/263151051.db2.gz ZEDPFAZKWGIEJE-JTQLQIEISA-N 1 0 278.331 1.943 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](O)C1)OCO2 ZINC000188797530 264249851 /nfs/dbraw/zinc/24/98/51/264249851.db2.gz OTNZEVLVQHBULE-GXSJLCMTSA-N 1 0 265.309 1.372 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1 ZINC000377030432 268042356 /nfs/dbraw/zinc/04/23/56/268042356.db2.gz OSRKGUOMSNGOBM-UHFFFAOYSA-N 1 0 297.424 1.006 20 10 CDCDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000289561376 328255484 /nfs/dbraw/zinc/25/54/84/328255484.db2.gz LAHHIRWOCQLBMZ-DZGCQCFKSA-N 1 0 276.380 1.985 20 10 CDCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000294710548 328282780 /nfs/dbraw/zinc/28/27/80/328282780.db2.gz BHVGVAVHHLNHSP-CABCVRRESA-N 1 0 275.396 1.562 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc(OC)c1O ZINC000093899380 327146023 /nfs/dbraw/zinc/14/60/23/327146023.db2.gz SMFBWAWIONKSAX-SNVBAGLBSA-N 1 0 266.341 1.215 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228677061 329059204 /nfs/dbraw/zinc/05/92/04/329059204.db2.gz JPZREIBAWFBOAZ-MRVPVSSYSA-N 1 0 286.759 1.668 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1c(O)cccc1Cl ZINC000527729389 330277908 /nfs/dbraw/zinc/27/79/08/330277908.db2.gz VSCSUTYWFBLMTE-UHFFFAOYSA-N 1 0 266.732 1.947 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000157128393 521339525 /nfs/dbraw/zinc/33/95/25/521339525.db2.gz KKXVKQZJSKDKCI-LLVKDONJSA-N 1 0 264.325 1.098 20 10 CDCDRO CC(C)[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276697640 519672277 /nfs/dbraw/zinc/67/22/77/519672277.db2.gz QTHDBHTWDGOUDA-UHFFFAOYSA-N 1 0 296.342 1.840 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000367704028 521147135 /nfs/dbraw/zinc/14/71/35/521147135.db2.gz ONHNPHLXBFGANZ-NSHDSACASA-N 1 0 278.352 1.488 20 10 CDCDRO COc1c(O)c(C[N@@H+](C)C[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000289768790 521871330 /nfs/dbraw/zinc/87/13/30/521871330.db2.gz RFSWTEPUAFYVIP-SECBINFHSA-N 1 0 284.312 1.776 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2ccccc2O)cn1 ZINC000266214495 522094755 /nfs/dbraw/zinc/09/47/55/522094755.db2.gz PKIYKPLLGBGZNE-UHFFFAOYSA-N 1 0 261.325 1.525 20 10 CDCDRO COC(=O)C1(O)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000278855984 522858086 /nfs/dbraw/zinc/85/80/86/522858086.db2.gz MRJPTYYPZDIKKX-UHFFFAOYSA-N 1 0 292.379 1.253 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@H]1OC ZINC000234880504 523738625 /nfs/dbraw/zinc/73/86/25/523738625.db2.gz RFOKSEHFIXBDGV-BETUJISGSA-N 1 0 251.326 1.546 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000279347651 524378767 /nfs/dbraw/zinc/37/87/67/524378767.db2.gz FVMCMYABCLAEEB-AWEZNQCLSA-N 1 0 278.396 1.853 20 10 CDCDRO Cc1cc(C[N@H+](C)CC(C)(CO)CO)ccc1N(C)C ZINC000292731099 524659991 /nfs/dbraw/zinc/65/99/91/524659991.db2.gz GOKGIFVNTVQKGA-UHFFFAOYSA-N 1 0 280.412 1.484 20 10 CDCDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000277466297 524996976 /nfs/dbraw/zinc/99/69/76/524996976.db2.gz JIIFAOWCPQBHPE-CYBMUJFWSA-N 1 0 291.395 1.267 20 10 CDCDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(N)cc1 ZINC000094456672 525087184 /nfs/dbraw/zinc/08/71/84/525087184.db2.gz PFTWSXAKJXMKFB-IUODEOHRSA-N 1 0 273.380 1.506 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000276857533 525950711 /nfs/dbraw/zinc/95/07/11/525950711.db2.gz WEUZTRZVPJEKGU-CYBMUJFWSA-N 1 0 290.363 1.598 20 10 CDCDRO Oc1cc2c(cc1CN1CC[NH+](C3CCC3)CC1)OCO2 ZINC000264907022 526333822 /nfs/dbraw/zinc/33/38/22/526333822.db2.gz DFEXJSJTSBLCHN-UHFFFAOYSA-N 1 0 290.363 1.791 20 10 CDCDRO OC1(CC[NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000285580029 527506231 /nfs/dbraw/zinc/50/62/31/527506231.db2.gz TWOVEUNFRUWHRJ-UHFFFAOYSA-N 1 0 277.364 1.643 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1=CC(=O)CS1 ZINC000732273085 575085469 /nfs/dbraw/zinc/08/54/69/575085469.db2.gz VSZVHHUMSUNDAV-UWVGGRQHSA-N 1 0 266.366 1.810 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCCn2cncn2)cc1F ZINC000733324085 575114594 /nfs/dbraw/zinc/11/45/94/575114594.db2.gz HVDFYGWVQMJFMZ-UHFFFAOYSA-N 1 0 277.347 1.663 20 10 CDCDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482022 575207858 /nfs/dbraw/zinc/20/78/58/575207858.db2.gz DJSPVQNEWMPDKU-QWRGUYRKSA-N 1 0 292.383 1.247 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000770292671 575436897 /nfs/dbraw/zinc/43/68/97/575436897.db2.gz OFFHJPKFARRJGN-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[NH+](C)C ZINC000773747721 575837435 /nfs/dbraw/zinc/83/74/35/575837435.db2.gz GGOWRNJUIQJFFP-UWVGGRQHSA-N 1 0 266.341 1.095 20 10 CDCDRO CCC[N@H+](CCO)Cc1ccc(OCC)cc1O ZINC000768175541 576262516 /nfs/dbraw/zinc/26/25/16/576262516.db2.gz SYDAPZNPMVPNBZ-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO COCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439452 576282601 /nfs/dbraw/zinc/28/26/01/576282601.db2.gz HQSIVMTXXQECGN-ZDUSSCGKSA-N 1 0 267.325 1.286 20 10 CDCDRO O=[N+]([O-])c1cc(C[NH2+]CCO)ccc1N1CCCCC1 ZINC000743503767 576643431 /nfs/dbraw/zinc/64/34/31/576643431.db2.gz UHLVMULXOPTRQY-UHFFFAOYSA-N 1 0 279.340 1.667 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000745790134 576742512 /nfs/dbraw/zinc/74/25/12/576742512.db2.gz UYNJCPAPGPFXAR-ZDUSSCGKSA-N 1 0 277.368 1.676 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCSC1 ZINC000747622784 576877451 /nfs/dbraw/zinc/87/74/51/576877451.db2.gz XXWYXGILSMOYKP-ZDUSSCGKSA-N 1 0 269.366 1.358 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000754742741 576913173 /nfs/dbraw/zinc/91/31/73/576913173.db2.gz YRRZAROOCNGVDJ-CYBMUJFWSA-N 1 0 262.353 1.672 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CCOCCO)c2c1c(F)ccc2O ZINC000756360693 576987239 /nfs/dbraw/zinc/98/72/39/576987239.db2.gz DZJQJJDRAAUMPI-GXSJLCMTSA-N 1 0 269.316 1.678 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000843352287 617327066 /nfs/dbraw/zinc/32/70/66/617327066.db2.gz DCEJWBCFMIMNAW-CYBMUJFWSA-N 1 0 280.343 1.918 20 10 CDCDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cccc(O)c1O ZINC000890882092 617344867 /nfs/dbraw/zinc/34/48/67/617344867.db2.gz FOGXKZKOQHQKGO-UHFFFAOYSA-N 1 0 280.368 1.758 20 10 CDCDRO [NH3+][C@H]1C[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892546511 617493963 /nfs/dbraw/zinc/49/39/63/617493963.db2.gz GQKOZSBAUMZSEH-JGZJWPJOSA-N 1 0 261.325 1.155 20 10 CDCDRO COC(=O)C(C)(C)N(C)Cc1ccc(OC)c(OC)c1O ZINC000891903385 617750673 /nfs/dbraw/zinc/75/06/73/617750673.db2.gz LEZCPBUXBWOLLP-UHFFFAOYSA-N 1 0 297.351 1.793 20 10 CDCDRO COC(=O)[C@H]1[C@@H](C[N@H+](C)Cc2ccccc2O)C1(F)F ZINC000893961289 618209551 /nfs/dbraw/zinc/20/95/51/618209551.db2.gz DVPTYCJDCXMGGL-ZYHUDNBSSA-N 1 0 285.290 1.878 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000877499039 618627756 /nfs/dbraw/zinc/62/77/56/618627756.db2.gz KWKZWEGWTGGHAX-QGZVFWFLSA-N 1 0 253.367 1.701 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCN2CCCC2=O)c1O ZINC000894148346 618634563 /nfs/dbraw/zinc/63/45/63/618634563.db2.gz BQMHTEZDCXVDLL-UHFFFAOYSA-N 1 0 292.379 1.811 20 10 CDCDRO Cc1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)nn1C ZINC000841042772 618677994 /nfs/dbraw/zinc/67/79/94/618677994.db2.gz NXIJQFKJVVYARS-INIZCTEOSA-N 1 0 287.411 1.584 20 10 CDCDRO CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841070135 618680867 /nfs/dbraw/zinc/68/08/67/618680867.db2.gz MAFRMFXTCRUMBT-SECBINFHSA-N 1 0 273.720 1.781 20 10 CDCDRO COc1cc(C)cc(C[NH2+]Cc2ccn(C)n2)c1O ZINC000894368579 618825929 /nfs/dbraw/zinc/82/59/29/618825929.db2.gz LPAYTQDGRLGZMN-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000894621293 618988767 /nfs/dbraw/zinc/98/87/67/618988767.db2.gz VAKRAUBUNMNRLG-ZDUSSCGKSA-N 1 0 261.321 1.642 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCN2C)cc1OC ZINC000896594317 620160751 /nfs/dbraw/zinc/16/07/51/620160751.db2.gz IESKDDBSIDBLTQ-LLVKDONJSA-N 1 0 266.341 1.203 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cccc(C)c1O ZINC000896622980 620170831 /nfs/dbraw/zinc/17/08/31/620170831.db2.gz XQEWISIAQWHSAI-OAHLLOKOSA-N 1 0 278.396 1.901 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCCOCC[NH+](C)C ZINC000788017003 620251204 /nfs/dbraw/zinc/25/12/04/620251204.db2.gz IBNQNELAGMCGEI-UHFFFAOYSA-N 1 0 295.383 1.112 20 10 CDCDRO Cc1cccc(C[NH2+]CCO[C@H]2CCOC2)c1O ZINC000897202328 620414685 /nfs/dbraw/zinc/41/46/85/620414685.db2.gz RXYDEYPGWHTUFS-ZDUSSCGKSA-N 1 0 251.326 1.596 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897684050 621072051 /nfs/dbraw/zinc/07/20/51/621072051.db2.gz JXGBVSSGDVOKPB-PWSUYJOCSA-N 1 0 251.326 1.604 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC(N2CCCC2=O)C1 ZINC000897784331 621120780 /nfs/dbraw/zinc/12/07/80/621120780.db2.gz CUKJBBKVTIAWIH-UHFFFAOYSA-N 1 0 260.337 1.507 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897830306 621149928 /nfs/dbraw/zinc/14/99/28/621149928.db2.gz RHVAHJHEQZHYNA-UHFFFAOYSA-N 1 0 298.408 1.216 20 10 CDCDRO CCC[NH2+]CCNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841047061 621591452 /nfs/dbraw/zinc/59/14/52/621591452.db2.gz UANDEPDKLVPKJN-UHFFFAOYSA-N 1 0 283.328 1.398 20 10 CDCDRO Oc1c(F)cccc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841074021 625214147 /nfs/dbraw/zinc/21/41/47/625214147.db2.gz BBBUPFXDZXQSIM-JTQLQIEISA-N 1 0 260.259 1.618 20 10 CDCDRO C[C@@H](C(=O)NCc1ccc(O)cc1O)[NH+]1CCCCCC1 ZINC000910953396 629116228 /nfs/dbraw/zinc/11/62/28/629116228.db2.gz AIRASMSHCLDIBT-LBPRGKRZSA-N 1 0 292.379 1.979 20 10 CDCDRO C[C@@H](CC(=O)NCc1ccc(O)cc1O)n1ccnc1 ZINC000910943874 629125160 /nfs/dbraw/zinc/12/51/60/629125160.db2.gz PNPPTZYXGKDIPA-JTQLQIEISA-N 1 0 275.308 1.562 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(N)=O ZINC000157072280 630582651 /nfs/dbraw/zinc/58/26/51/630582651.db2.gz HJMUKPZGTPFVSG-SNVBAGLBSA-N 1 0 279.340 1.188 20 10 CDCDRO CCc1nncn1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921800721 633307688 /nfs/dbraw/zinc/30/76/88/633307688.db2.gz JBPVCBOOKAYKGM-UHFFFAOYSA-N 1 0 286.379 1.955 20 10 CDCDRO C[C@H]([NH2+]CCCC[NH3+])c1cc(C(=O)[O-])ccc1O ZINC001609776518 1165076241 /nfs/dbraw/zinc/07/62/41/1165076241.db2.gz BNKKCQOBABROIG-VIFPVBQESA-N 1 0 252.314 1.480 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@H]4CC[C@@H]3[NH2+]4)ccc21 ZINC001578530188 1171943198 /nfs/dbraw/zinc/94/31/98/1171943198.db2.gz BAVODEJKJCXINA-PMPSAXMXSA-N 1 0 299.418 1.826 20 10 CDCDRO COC(=O)COc1ccc(N(C)CC[C@H]2CC[NH2+]C2)cc1 ZINC001578813481 1172018190 /nfs/dbraw/zinc/01/81/90/1172018190.db2.gz PWOOPAHRNSHYSX-CYBMUJFWSA-N 1 0 292.379 1.674 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)c(O)c1 ZINC000222011934 1177918954 /nfs/dbraw/zinc/91/89/54/1177918954.db2.gz QFDRLHWRTMBRHG-VIFPVBQESA-N 1 0 251.204 1.111 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000234801191 1178225335 /nfs/dbraw/zinc/22/53/35/1178225335.db2.gz HRPMZVMVWVSBHL-AWEZNQCLSA-N 1 0 264.369 1.384 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000841656247 736343770 /nfs/dbraw/zinc/34/37/70/736343770.db2.gz YGVCDGMROLCYSE-CYBMUJFWSA-N 1 0 276.384 1.385 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844300278 736422560 /nfs/dbraw/zinc/42/25/60/736422560.db2.gz IQRUSIGNHYPUMT-ZDUSSCGKSA-N 1 0 262.353 1.883 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000927148982 736568610 /nfs/dbraw/zinc/56/86/10/736568610.db2.gz WGGLFRIICYBWBK-GMTAPVOTSA-N 1 0 251.326 1.822 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](CO)C2)cc1F ZINC000864054626 736590099 /nfs/dbraw/zinc/59/00/99/736590099.db2.gz XBCVECIZYHJYCZ-JGZJWPJOSA-N 1 0 270.323 1.891 20 10 CDCDRO CCc1nncn1CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148590 736611242 /nfs/dbraw/zinc/61/12/42/736611242.db2.gz REXUSQNRVSPFLU-LLVKDONJSA-N 1 0 290.367 1.906 20 10 CDCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000125451654 738451084 /nfs/dbraw/zinc/45/10/84/738451084.db2.gz KKIJAYKQHILQAA-UHFFFAOYSA-N 1 0 262.353 1.706 20 10 CDCDRO Cc1ccc(C[NH2+]CCCNC(=O)C(C)C)c(O)c1 ZINC000877119721 736641725 /nfs/dbraw/zinc/64/17/25/736641725.db2.gz ATBZBLYFLRRLHG-UHFFFAOYSA-N 1 0 264.369 1.953 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597636 736881253 /nfs/dbraw/zinc/88/12/53/736881253.db2.gz RLYSRFBINJGCCK-AAEUAGOBSA-N 1 0 288.391 1.885 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COCCN2)cc1F ZINC000863485586 736951716 /nfs/dbraw/zinc/95/17/16/736951716.db2.gz MOYGHONHQXOOKV-CQSZACIVSA-N 1 0 295.402 1.750 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026653 737006469 /nfs/dbraw/zinc/00/64/69/737006469.db2.gz NLDTUHAUINPXOD-WBVHZDCISA-N 1 0 287.407 1.317 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000824564920 737008968 /nfs/dbraw/zinc/00/89/68/737008968.db2.gz NWXJBSUMKRVDDY-CQSZACIVSA-N 1 0 294.395 1.337 20 10 CDCDRO CCN1CC[C@@H](N2CCCc3cc(C[NH3+])ccc32)C1=O ZINC000700877026 736995839 /nfs/dbraw/zinc/99/58/39/736995839.db2.gz AQOSSYWJHKJGEV-OAHLLOKOSA-N 1 0 273.380 1.519 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])NCC(F)F ZINC000887355372 737067466 /nfs/dbraw/zinc/06/74/66/737067466.db2.gz NOOVMMKDVYGKIZ-UHFFFAOYSA-N 1 0 270.327 1.940 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000883900754 737082333 /nfs/dbraw/zinc/08/23/33/737082333.db2.gz QBPYUPPUILHZTB-GFCCVEGCSA-N 1 0 297.786 1.939 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000848909077 737086144 /nfs/dbraw/zinc/08/61/44/737086144.db2.gz KAANZEZNCWNEQT-JTQLQIEISA-N 1 0 268.332 1.518 20 10 CDCDRO Cc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)c(O)c1 ZINC000877122171 737089950 /nfs/dbraw/zinc/08/99/50/737089950.db2.gz KHXZLEHGAXRILM-UHFFFAOYSA-N 1 0 283.393 1.615 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(OC)c1O ZINC000311878596 737096601 /nfs/dbraw/zinc/09/66/01/737096601.db2.gz YAALELPZTHZXPD-UHFFFAOYSA-N 1 0 286.759 1.752 20 10 CDCDRO CCOc1ccc(C[NH2+]CCc2cn[nH]c2)c(O)c1 ZINC000810166049 737134394 /nfs/dbraw/zinc/13/43/94/737134394.db2.gz KOTMXHOTCSFPNC-UHFFFAOYSA-N 1 0 261.325 1.846 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000386753990 737136421 /nfs/dbraw/zinc/13/64/21/737136421.db2.gz FAAGUCOJEFLZBH-QLFBSQMISA-N 1 0 288.391 1.832 20 10 CDCDRO C[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC(=O)N1 ZINC000834907708 737191729 /nfs/dbraw/zinc/19/17/29/737191729.db2.gz AJOLTMVIWJCHJA-ABAIWWIYSA-N 1 0 260.337 1.638 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1ccccc1O ZINC000879648762 737367702 /nfs/dbraw/zinc/36/77/02/737367702.db2.gz CSQOIHCSMPWWDU-HZSPNIEDSA-N 1 0 295.379 1.599 20 10 CDCDRO CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccc(N)cc1 ZINC000877074432 737455488 /nfs/dbraw/zinc/45/54/88/737455488.db2.gz KHNSPTHLGYDHNJ-UKRRQHHQSA-N 1 0 259.353 1.621 20 10 CDCDRO COCC(COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000388453061 737460567 /nfs/dbraw/zinc/46/05/67/737460567.db2.gz ZDFHYNQIMPKAJG-GFCCVEGCSA-N 1 0 251.326 1.631 20 10 CDCDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182434618 737462281 /nfs/dbraw/zinc/46/22/81/737462281.db2.gz NSOLIANCEHYOCV-MNOVXSKESA-N 1 0 269.341 1.449 20 10 CDCDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1=CC(=O)CS1 ZINC000830588090 737549405 /nfs/dbraw/zinc/54/94/05/737549405.db2.gz GQVAZRTWRZGMAS-LLVKDONJSA-N 1 0 284.381 1.030 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)cc1 ZINC000858552688 737593262 /nfs/dbraw/zinc/59/32/62/737593262.db2.gz IVYFOPUTCRBRBY-APHBMKBZSA-N 1 0 278.396 1.943 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(=O)N(C)C ZINC000840910940 737716504 /nfs/dbraw/zinc/71/65/04/737716504.db2.gz XUXUCVVMTLJGKK-UHFFFAOYSA-N 1 0 263.385 1.581 20 10 CDCDRO COC[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC000858156990 737733100 /nfs/dbraw/zinc/73/31/00/737733100.db2.gz AFPYVAWDHZPEDP-NSHDSACASA-N 1 0 288.338 1.782 20 10 CDCDRO C[C@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003744 737767018 /nfs/dbraw/zinc/76/70/18/737767018.db2.gz PWRROVDAHJQGOL-GXTWGEPZSA-N 1 0 292.379 1.637 20 10 CDCDRO C[C@H](C[NH3+])N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817966243 737829975 /nfs/dbraw/zinc/82/99/75/737829975.db2.gz JOQBGXUHCWVDMT-VXGBXAGGSA-N 1 0 281.375 1.660 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCC(=O)N2CCOCC2)cc1 ZINC000159255715 737860053 /nfs/dbraw/zinc/86/00/53/737860053.db2.gz LHBMJHYGHFWJLO-UHFFFAOYSA-N 1 0 291.395 1.091 20 10 CDCDRO COc1cccc(CNC(=[NH2+])NC[C@H]2CCCO2)c1O ZINC000849002224 737883567 /nfs/dbraw/zinc/88/35/67/737883567.db2.gz VNEXDVYKGKZZDO-LLVKDONJSA-N 1 0 279.340 1.194 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000843489102 737890055 /nfs/dbraw/zinc/89/00/55/737890055.db2.gz DVYNVRQCMTZNPJ-LPEHRKFASA-N 1 0 264.325 1.315 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1=O ZINC000722358297 737939825 /nfs/dbraw/zinc/93/98/25/737939825.db2.gz BYNWXVAHXFLJKT-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000840976973 738048767 /nfs/dbraw/zinc/04/87/67/738048767.db2.gz ZYMROSLQCXQZKM-AAEUAGOBSA-N 1 0 285.771 1.529 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000831953041 738060904 /nfs/dbraw/zinc/06/09/04/738060904.db2.gz SONFFPFMNKTFGU-OAHLLOKOSA-N 1 0 275.396 1.754 20 10 CDCDRO CCc1cccc(CN2CC[NH+](CC(C)(C)O)CC2)c1O ZINC000848884402 738089151 /nfs/dbraw/zinc/08/91/51/738089151.db2.gz IBWCNMBRZJPKDI-UHFFFAOYSA-N 1 0 292.423 1.843 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886220954 738296475 /nfs/dbraw/zinc/29/64/75/738296475.db2.gz QCWADAKMIZPKEK-VXGBXAGGSA-N 1 0 287.306 1.690 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000323023548 738592775 /nfs/dbraw/zinc/59/27/75/738592775.db2.gz JYROOYWIVXOYGO-UWVGGRQHSA-N 1 0 266.341 1.576 20 10 CDCDRO COC[C@@]1(CN[C@@H]2CCc3cccc(O)c32)CCC[NH2+]1 ZINC000817975028 738593095 /nfs/dbraw/zinc/59/30/95/738593095.db2.gz QBFFNHNNGLXKHD-CJNGLKHVSA-N 1 0 276.380 1.738 20 10 CDCDRO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c(O)c1O ZINC000179480076 738620463 /nfs/dbraw/zinc/62/04/63/738620463.db2.gz SJQBZOQMOKAUMN-GFCCVEGCSA-N 1 0 292.379 1.963 20 10 CDCDRO O[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000323329720 738622921 /nfs/dbraw/zinc/62/29/21/738622921.db2.gz VNPLIVRMIVQSQR-HOTGVXAUSA-N 1 0 276.380 1.526 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567129 738636181 /nfs/dbraw/zinc/63/61/81/738636181.db2.gz XCIFSLQHYOBUAH-GFCCVEGCSA-N 1 0 291.395 1.001 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(CO)COC2)c1O ZINC000717585671 738696115 /nfs/dbraw/zinc/69/61/15/738696115.db2.gz ZTYRMKXANWEASO-UHFFFAOYSA-N 1 0 251.326 1.053 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000846169206 738770721 /nfs/dbraw/zinc/77/07/21/738770721.db2.gz YLEPSGPLXGATRU-APBUJDDRSA-N 1 0 283.393 1.963 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](OC)C1CC1 ZINC000815152927 738781546 /nfs/dbraw/zinc/78/15/46/738781546.db2.gz AOPGICJLAHFFBM-AWEZNQCLSA-N 1 0 251.326 1.915 20 10 CDCDRO O=S(=O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)CC1CC1 ZINC000834685494 738792759 /nfs/dbraw/zinc/79/27/59/738792759.db2.gz XPUFRYMQXPYOOK-CYBMUJFWSA-N 1 0 295.404 1.794 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000852786324 738808952 /nfs/dbraw/zinc/80/89/52/738808952.db2.gz VKFVKMXEILNPMB-HNNXBMFYSA-N 1 0 275.396 1.901 20 10 CDCDRO C[NH+](C)Cc1ccnc(NC(=O)c2cccc(O)c2O)c1 ZINC000187166843 738836170 /nfs/dbraw/zinc/83/61/70/738836170.db2.gz XOIRNFRSIDIHND-UHFFFAOYSA-N 1 0 287.319 1.807 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000788971985 738840621 /nfs/dbraw/zinc/84/06/21/738840621.db2.gz STJDNAGWNGKDCW-QWRGUYRKSA-N 1 0 251.326 1.651 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000858547160 738851523 /nfs/dbraw/zinc/85/15/23/738851523.db2.gz DRINWWGKOVDHNW-SJORKVTESA-N 1 0 291.439 1.860 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000840827017 738863495 /nfs/dbraw/zinc/86/34/95/738863495.db2.gz ZEMAVTXOHHCWRO-VHRBIJSZSA-N 1 0 251.326 1.765 20 10 CDCDRO CNS(=O)(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876723357 738871679 /nfs/dbraw/zinc/87/16/79/738871679.db2.gz UNEVXGKNFXKSCL-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO OC[C@]1([C@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)CCCO1 ZINC000816666298 738882174 /nfs/dbraw/zinc/88/21/74/738882174.db2.gz JOUHYNFRHLETKZ-CVEARBPZSA-N 1 0 295.354 1.941 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000793363705 738892345 /nfs/dbraw/zinc/89/23/45/738892345.db2.gz VELOZZLILZEFFW-WBMJQRKESA-N 1 0 293.363 1.781 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CC1=O ZINC000846092675 736347857 /nfs/dbraw/zinc/34/78/57/736347857.db2.gz HMTPXCXZRIMNHU-SNVBAGLBSA-N 1 0 292.335 1.079 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CCN(C)C[C@@H]1C[NH3+] ZINC000843121302 736409416 /nfs/dbraw/zinc/40/94/16/736409416.db2.gz CNNYLTPANOMLLA-INIZCTEOSA-N 1 0 276.428 1.136 20 10 CDCDRO Cc1ccc(CN(C)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000876524239 736411404 /nfs/dbraw/zinc/41/14/04/736411404.db2.gz NJROZEBRGDNYRZ-LBPRGKRZSA-N 1 0 269.366 1.320 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000848884585 736422101 /nfs/dbraw/zinc/42/21/01/736422101.db2.gz NSZDXHSREYFDHG-HNNXBMFYSA-N 1 0 279.380 1.928 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1O ZINC000817982447 736425405 /nfs/dbraw/zinc/42/54/05/736425405.db2.gz SMAITWXWVVGWCG-NWDGAFQWSA-N 1 0 250.342 1.421 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(C)C2)cc1OC ZINC000776174706 736576947 /nfs/dbraw/zinc/57/69/47/736576947.db2.gz RVRQJNQOFZZUDI-NSHDSACASA-N 1 0 266.341 1.203 20 10 CDCDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000883355490 736623019 /nfs/dbraw/zinc/62/30/19/736623019.db2.gz RWLNUMNNXUSZRO-AAEUAGOBSA-N 1 0 292.379 1.924 20 10 CDCDRO O[C@@H](CNc1ccccc1OCCF)C[NH+]1CCCC1 ZINC000863559094 736707168 /nfs/dbraw/zinc/70/71/68/736707168.db2.gz GSKNFLJEPMXECQ-ZDUSSCGKSA-N 1 0 282.359 1.904 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)CCOCCO)c(O)c1 ZINC000883350383 736750092 /nfs/dbraw/zinc/75/00/92/736750092.db2.gz FBOOCVRSRRVYGL-AWEZNQCLSA-N 1 0 296.411 1.292 20 10 CDCDRO CCc1cccc(C[NH+]2CC(C)(C(=O)OC)C2)c1O ZINC000848918351 736841973 /nfs/dbraw/zinc/84/19/73/736841973.db2.gz XCLBSYJTMYVAER-UHFFFAOYSA-N 1 0 263.337 1.950 20 10 CDCDRO Nc1ccc(CCNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000841934929 736894638 /nfs/dbraw/zinc/89/46/38/736894638.db2.gz CXOCTLJCZQNDIU-ZDUSSCGKSA-N 1 0 276.384 1.110 20 10 CDCDRO COc1ccc(O)c(C[N@H+](CCCO)C2CC2)c1 ZINC000775701338 738951761 /nfs/dbraw/zinc/95/17/61/738951761.db2.gz KOZRILDQOFJCNM-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000842510925 736987890 /nfs/dbraw/zinc/98/78/90/736987890.db2.gz UQFWJUATDVAOIL-IAQYHMDHSA-N 1 0 298.390 1.908 20 10 CDCDRO Cc1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)[nH]1 ZINC000832274041 737030072 /nfs/dbraw/zinc/03/00/72/737030072.db2.gz RIDXQQDVVFVLMW-CYBMUJFWSA-N 1 0 287.367 1.214 20 10 CDCDRO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817934999 737069214 /nfs/dbraw/zinc/06/92/14/737069214.db2.gz DROVNFVGOQZVJS-NSHDSACASA-N 1 0 299.365 1.616 20 10 CDCDRO C[C@@H](c1nnnn1C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350114 737099043 /nfs/dbraw/zinc/09/90/43/737099043.db2.gz JGZRMVJOYRJZAE-JTQLQIEISA-N 1 0 272.356 1.183 20 10 CDCDRO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000180189976 737129059 /nfs/dbraw/zinc/12/90/59/737129059.db2.gz YBMDYJIBISKOAI-MRXNPFEDSA-N 1 0 276.380 1.480 20 10 CDCDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCNC2=O)cc1 ZINC000886323389 737169093 /nfs/dbraw/zinc/16/90/93/737169093.db2.gz YUHQXCRUKSABQN-ONEGZZNKSA-N 1 0 288.395 1.381 20 10 CDCDRO Cc1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)[nH]1 ZINC000832274042 737177350 /nfs/dbraw/zinc/17/73/50/737177350.db2.gz RIDXQQDVVFVLMW-ZDUSSCGKSA-N 1 0 287.367 1.214 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)CCF)cc1OC ZINC000846098376 737233607 /nfs/dbraw/zinc/23/36/07/737233607.db2.gz AWABCSREIYMILS-SNVBAGLBSA-N 1 0 273.304 1.220 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(O)c1 ZINC000876782211 737243678 /nfs/dbraw/zinc/24/36/78/737243678.db2.gz UUZSTWCEKQDAPV-LBPRGKRZSA-N 1 0 262.353 1.788 20 10 CDCDRO CCCN1C[C@H](C[NH2+]Cc2cccc(OC)c2O)CC1=O ZINC000817411034 737246371 /nfs/dbraw/zinc/24/63/71/737246371.db2.gz LLAYRPDVRXBJAS-LBPRGKRZSA-N 1 0 292.379 1.749 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC000841990070 737280667 /nfs/dbraw/zinc/28/06/67/737280667.db2.gz XYELTMKXIIZFBK-DGCLKSJQSA-N 1 0 277.368 1.674 20 10 CDCDRO COc1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)c(O)c1 ZINC000832178611 737372198 /nfs/dbraw/zinc/37/21/98/737372198.db2.gz UBUCCXFWDOTKGH-NSHDSACASA-N 1 0 278.352 1.407 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccoc3)cc2)CC1 ZINC000881849700 737425222 /nfs/dbraw/zinc/42/52/22/737425222.db2.gz UAWJRRJYSALDPW-UHFFFAOYSA-N 1 0 299.374 1.961 20 10 CDCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(N)cc1 ZINC000092633756 737594310 /nfs/dbraw/zinc/59/43/10/737594310.db2.gz AIXZLYVUWITGKH-CYBMUJFWSA-N 1 0 262.357 1.827 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1CCC1)c1ccc(N(C)C)cc1 ZINC000775836071 737603504 /nfs/dbraw/zinc/60/35/04/737603504.db2.gz YHIDEMYLSGBICD-GFCCVEGCSA-N 1 0 261.369 1.636 20 10 CDCDRO NC(=O)C[N@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC000226562197 737715178 /nfs/dbraw/zinc/71/51/78/737715178.db2.gz BZDYPHYYZAKWRC-UHFFFAOYSA-N 1 0 266.316 1.761 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000129744636 737719755 /nfs/dbraw/zinc/71/97/55/737719755.db2.gz DYZJXMDYRUXNKN-CYBMUJFWSA-N 1 0 295.358 1.016 20 10 CDCDRO CCN1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000722356439 737852679 /nfs/dbraw/zinc/85/26/79/737852679.db2.gz PPGMXVSZTYNZIS-STQMWFEESA-N 1 0 274.364 1.980 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(OC)ccc1O ZINC000843122429 737898739 /nfs/dbraw/zinc/89/87/39/737898739.db2.gz SKQCLHYKBAVWKH-RYUDHWBXSA-N 1 0 268.332 1.533 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922074082 737928843 /nfs/dbraw/zinc/92/88/43/737928843.db2.gz RGICJZZEPLVBDY-BLLLJJGKSA-N 1 0 277.364 1.641 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c1 ZINC000817961846 737931469 /nfs/dbraw/zinc/93/14/69/737931469.db2.gz DOSBEZKGQHUCGR-NXEZZACHSA-N 1 0 266.341 1.424 20 10 CDCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnccn1 ZINC000817938537 737986185 /nfs/dbraw/zinc/98/61/85/737986185.db2.gz MRAQUXNDJLLKPD-IUODEOHRSA-N 1 0 285.395 1.893 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000709404009 738133825 /nfs/dbraw/zinc/13/38/25/738133825.db2.gz ADRHSURPTSIUIO-ZDUSSCGKSA-N 1 0 298.408 1.078 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000092955704 738259176 /nfs/dbraw/zinc/25/91/76/738259176.db2.gz TZCLZKNGTREQPG-FZMZJTMJSA-N 1 0 261.369 1.367 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1COC(C)(C)O1 ZINC000851840419 738291054 /nfs/dbraw/zinc/29/10/54/738291054.db2.gz GKHFHFINSYTRJM-LBPRGKRZSA-N 1 0 251.326 1.976 20 10 CDCDRO c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000112342393 738318334 /nfs/dbraw/zinc/31/83/34/738318334.db2.gz QVPXDQMZXCGANK-UHFFFAOYSA-N 1 0 272.352 1.536 20 10 CDCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000841848117 738352725 /nfs/dbraw/zinc/35/27/25/738352725.db2.gz VOBUHFARUVSFSV-FZMZJTMJSA-N 1 0 261.369 1.316 20 10 CDCDRO Cn1ncnc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700924386 739007295 /nfs/dbraw/zinc/00/72/95/739007295.db2.gz OPXJXWJKZWWAQO-UHFFFAOYSA-N 1 0 257.341 1.227 20 10 CDCDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000923005630 739022549 /nfs/dbraw/zinc/02/25/49/739022549.db2.gz OOWXODYHXKPMTO-SHTZXODSSA-N 1 0 290.407 1.508 20 10 CDCDRO C[C@H](CCO)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846109349 739035660 /nfs/dbraw/zinc/03/56/60/739035660.db2.gz UANKSJRPDWRWGV-CQSZACIVSA-N 1 0 278.396 1.726 20 10 CDCDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000843498971 739041732 /nfs/dbraw/zinc/04/17/32/739041732.db2.gz BEUHMPYMXLBVFV-UHFFFAOYSA-N 1 0 280.368 1.782 20 10 CDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000877255471 739062226 /nfs/dbraw/zinc/06/22/26/739062226.db2.gz DUGAERSLPCDMCJ-BREBYQMCSA-N 1 0 250.342 1.943 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cccc(C)c1O ZINC000312826262 739203107 /nfs/dbraw/zinc/20/31/07/739203107.db2.gz SAJGPSBQVAQNEE-UHFFFAOYSA-N 1 0 250.342 1.705 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNCc3ccno3)cc2)CC1 ZINC000843403328 739216063 /nfs/dbraw/zinc/21/60/63/739216063.db2.gz XSYIIZRYDBVHPL-UHFFFAOYSA-N 1 0 286.379 1.716 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000876878504 739221721 /nfs/dbraw/zinc/22/17/21/739221721.db2.gz FAEJKQJWWNNQJL-UWVGGRQHSA-N 1 0 266.341 1.576 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H]1C ZINC000877602624 739223717 /nfs/dbraw/zinc/22/37/17/739223717.db2.gz MQIINOOOOZOQIJ-DGCLKSJQSA-N 1 0 263.337 1.942 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c(O)c1 ZINC000877090652 1165973625 /nfs/dbraw/zinc/97/36/25/1165973625.db2.gz WXBLEQULVJAUOU-APPDUMDISA-N 1 0 255.383 1.947 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000877558633 1166058562 /nfs/dbraw/zinc/05/85/62/1166058562.db2.gz KUECAFSFJORMSQ-ZDUSSCGKSA-N 1 0 278.352 1.973 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(N)cc1 ZINC000063054533 912415833 /nfs/dbraw/zinc/41/58/33/912415833.db2.gz AZBQGKSIWQVJMW-UHFFFAOYSA-N 1 0 262.357 1.828 20 10 CDCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173733863 912755644 /nfs/dbraw/zinc/75/56/44/912755644.db2.gz KJMDNUQTUBODOL-CHWSQXEVSA-N 1 0 273.340 1.652 20 10 CDCDRO c1nnn([C@@H]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)n1 ZINC001173742363 912777114 /nfs/dbraw/zinc/77/71/14/912777114.db2.gz OBJGVUWWQYTQNC-HUUCEWRRSA-N 1 0 299.378 1.882 20 10 CDCDRO Cc1c[nH+]ccc1Nc1cccc(C(=O)N(C)C)c1O ZINC001174538500 913199344 /nfs/dbraw/zinc/19/93/44/913199344.db2.gz HXKLOKRYLLTSGS-UHFFFAOYSA-N 1 0 271.320 1.963 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](C)CCO)c1O ZINC000097439600 894113428 /nfs/dbraw/zinc/11/34/28/894113428.db2.gz HIMZIKDAWBDQQY-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO COc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc(O)c1O ZINC001235041721 913979363 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ZINC001172159809 911393984 /nfs/dbraw/zinc/39/39/84/911393984.db2.gz DJQGMVOXOPAOOJ-ZBFHGGJFSA-N 1 0 287.407 1.996 20 10 CDCDRO O=C1CC[C@H]2C[C@H]([N@H+]3CCc4cccc(O)c4C3)CCN12 ZINC001172181788 911446988 /nfs/dbraw/zinc/44/69/88/911446988.db2.gz HZXBTUBZHGQAAC-KGLIPLIRSA-N 1 0 286.375 1.904 20 10 CDCDRO O=C(C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2)c1ccc(O)c(O)c1 ZINC001172235343 911494549 /nfs/dbraw/zinc/49/45/49/911494549.db2.gz ZBLZTNISCLVAHQ-YOGCLGLASA-N 1 0 275.304 1.356 20 10 CDCDRO CC(C)OCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172431637 911665273 /nfs/dbraw/zinc/66/52/73/911665273.db2.gz PRKRASCWAQMLTH-NHYWBVRUSA-N 1 0 283.368 1.924 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)n2ccc(C[NH3+])cc2=N)cc1 ZINC001180129932 916149070 /nfs/dbraw/zinc/14/90/70/916149070.db2.gz MYIYHGMEIIZTJF-UOKNLUALSA-N 1 0 296.374 1.846 20 10 CDCDRO CCNC(=O)OC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204281898 916641227 /nfs/dbraw/zinc/64/12/27/916641227.db2.gz ZOXHZPJVPBNNNG-UHFFFAOYSA-N 1 0 294.351 1.808 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000828666196 936382319 /nfs/dbraw/zinc/38/23/19/936382319.db2.gz BOVFGMVJAZILBK-ZUZCIYMTSA-N 1 0 278.352 1.578 20 10 CDCDRO Cc1cc(C)c(CNC(=O)C2(O)CC[NH+](C)CC2)c(O)c1 ZINC001182036072 917603310 /nfs/dbraw/zinc/60/33/10/917603310.db2.gz KVFLLJGAUOJYEY-UHFFFAOYSA-N 1 0 292.379 1.082 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1ccc(O)c(O)c1 ZINC001182154841 917692402 /nfs/dbraw/zinc/69/24/02/917692402.db2.gz OIHWWXZZMVTEBW-NWDGAFQWSA-N 1 0 292.379 1.581 20 10 CDCDRO Oc1c(F)cccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001138130856 936476811 /nfs/dbraw/zinc/47/68/11/936476811.db2.gz JPRXWUIASNLHSQ-AWEZNQCLSA-N 1 0 294.370 1.828 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CC[C@H]1C2 ZINC001138499105 936542895 /nfs/dbraw/zinc/54/28/95/936542895.db2.gz XAVZBMRYXHCMMJ-KRWDZBQOSA-N 1 0 287.407 1.413 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H](C)[NH2+]C2CC2)c(O)c1 ZINC000832178041 936563478 /nfs/dbraw/zinc/56/34/78/936563478.db2.gz LIRRFVBJLMRIJV-SECBINFHSA-N 1 0 264.325 1.158 20 10 CDCDRO Cc1ccc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c(O)c1 ZINC001272764931 919192588 /nfs/dbraw/zinc/19/25/88/919192588.db2.gz CYFFMZPWKNTBAY-INIZCTEOSA-N 1 0 274.364 1.897 20 10 CDCDRO COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c(O)c1 ZINC001203620755 919678029 /nfs/dbraw/zinc/67/80/29/919678029.db2.gz HNKRPCIUMWYJQZ-SMDDNHRTSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)ccc1N(C)C ZINC001139673588 936634848 /nfs/dbraw/zinc/63/48/48/936634848.db2.gz UZMZPDBTTIOQGW-CYBMUJFWSA-N 1 0 261.369 1.368 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775103445 920406767 /nfs/dbraw/zinc/40/67/67/920406767.db2.gz XZMIYRPTVSLQHY-PSASIEDQSA-N 1 0 282.296 1.264 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140462923 936712687 /nfs/dbraw/zinc/71/26/87/936712687.db2.gz ODZMUEUENZQAJO-ZWNOBZJWSA-N 1 0 271.744 1.221 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CC(N(C)C3COC3)C2)c1 ZINC001140623555 936732137 /nfs/dbraw/zinc/73/21/37/936732137.db2.gz UWUNNQHYRQDXIH-UHFFFAOYSA-N 1 0 262.353 1.215 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC(NC(N)=O)CC2)c1O ZINC001140742503 936748072 /nfs/dbraw/zinc/74/80/72/936748072.db2.gz PYFJFXJGNXTOAQ-UHFFFAOYSA-N 1 0 279.340 1.039 20 10 CDCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(O)c(C)c2O)C1 ZINC001140749583 936749854 /nfs/dbraw/zinc/74/98/54/936749854.db2.gz FSBNSKDFMIQTPL-AWEZNQCLSA-N 1 0 292.379 1.849 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)NC)c(O)c1 ZINC001140855018 936764965 /nfs/dbraw/zinc/76/49/65/936764965.db2.gz KGEGIJFFISNHDC-UHFFFAOYSA-N 1 0 293.411 1.806 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1 ZINC001140948055 936782605 /nfs/dbraw/zinc/78/26/05/936782605.db2.gz QVIXQPSZHQSWKQ-CQSZACIVSA-N 1 0 251.326 1.284 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2O)C[C@@H]1C ZINC001141163176 936823933 /nfs/dbraw/zinc/82/39/33/936823933.db2.gz SYYOVBPADCDKBZ-CABZTGNLSA-N 1 0 265.309 1.339 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c1O ZINC001273768995 925479920 /nfs/dbraw/zinc/47/99/20/925479920.db2.gz DCYFVAPAMBBZOE-MRXNPFEDSA-N 1 0 290.363 1.134 20 10 CDCDRO CC1(C)C[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC000843054461 937108034 /nfs/dbraw/zinc/10/80/34/937108034.db2.gz MTRUSSUFYLTNLY-UHFFFAOYSA-N 1 0 264.325 1.305 20 10 CDCDRO Cc1ccc(C(=O)N2CC(C[NH+](C)C)C2)c(O)c1O ZINC000854724949 928271125 /nfs/dbraw/zinc/27/11/25/928271125.db2.gz WKEINCJKIOXDHM-UHFFFAOYSA-N 1 0 264.325 1.040 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1O ZINC000857061089 928658323 /nfs/dbraw/zinc/65/83/23/928658323.db2.gz JMZVIMAIWYSTDM-YPMHNXCESA-N 1 0 265.353 1.851 20 10 CDCDRO Cc1cc(N(C)C)nc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169990760 928863633 /nfs/dbraw/zinc/86/36/33/928863633.db2.gz MXZNSZMKFQVRAD-UHFFFAOYSA-N 1 0 274.324 1.874 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1 ZINC000697580767 937284162 /nfs/dbraw/zinc/28/41/62/937284162.db2.gz WDTKMUQOOZPKDJ-QWRGUYRKSA-N 1 0 271.382 1.784 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)c2nncn2C)c1O ZINC000691520529 929123222 /nfs/dbraw/zinc/12/32/22/929123222.db2.gz DOFUPZMHNCMXSM-JTQLQIEISA-N 1 0 260.341 1.934 20 10 CDCDRO Nc1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC000884008741 930383331 /nfs/dbraw/zinc/38/33/31/930383331.db2.gz AKSTVPNKESIFFI-UHFFFAOYSA-N 1 0 297.362 1.326 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000134493192 930563862 /nfs/dbraw/zinc/56/38/62/930563862.db2.gz ZTXDYQIXWWSLIX-SNVBAGLBSA-N 1 0 280.368 1.794 20 10 CDCDRO COC[C@@]1(CN[C@@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000817974193 930655688 /nfs/dbraw/zinc/65/56/88/930655688.db2.gz JDRCWKBLFUYMTL-LRDDRELGSA-N 1 0 294.395 1.820 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CCOCCO)CC2)cc1 ZINC001116351983 937442885 /nfs/dbraw/zinc/44/28/85/937442885.db2.gz NVGFTADFDZJXFY-UHFFFAOYSA-N 1 0 294.395 1.216 20 10 CDCDRO COc1cccc(CNC(=O)C2(C[NH+](C)C)CC2)c1O ZINC000821065891 931004392 /nfs/dbraw/zinc/00/43/92/931004392.db2.gz SHNSGIJRKDGGBX-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC(C)C)cc1 ZINC001170994234 931184353 /nfs/dbraw/zinc/18/43/53/931184353.db2.gz NNIZPTUORVSCFC-UHFFFAOYSA-N 1 0 280.368 1.802 20 10 CDCDRO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](C)N1CCO ZINC000824925699 931486557 /nfs/dbraw/zinc/48/65/57/931486557.db2.gz CXIIFRGWRMHIMB-BETUJISGSA-N 1 0 264.369 1.279 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000844268204 931567621 /nfs/dbraw/zinc/56/76/21/931567621.db2.gz OWEXNVRIJJFDIX-ZDUSSCGKSA-N 1 0 289.379 1.096 20 10 CDCDRO COC[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500135 931859008 /nfs/dbraw/zinc/85/90/08/931859008.db2.gz PQCPDMRBVNRMJC-SECBINFHSA-N 1 0 253.298 1.414 20 10 CDCDRO C[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@H]1CO ZINC001144499185 931859076 /nfs/dbraw/zinc/85/90/76/931859076.db2.gz DLRACCDNALZZGX-CABZTGNLSA-N 1 0 267.325 1.396 20 10 CDCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144503755 931863832 /nfs/dbraw/zinc/86/38/32/931863832.db2.gz BVDFOSSKMXHFLC-CQSZACIVSA-N 1 0 281.308 1.331 20 10 CDCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144520688 931871540 /nfs/dbraw/zinc/87/15/40/931871540.db2.gz YTNCRAZJBXDZQH-NSHDSACASA-N 1 0 251.282 1.357 20 10 CDCDRO CCCO[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509069 931873942 /nfs/dbraw/zinc/87/39/42/931873942.db2.gz KAPFWJNCFIIRFK-LLVKDONJSA-N 1 0 267.325 1.804 20 10 CDCDRO CC(C)[N@H+](CCCO)Cc1c(O)cc(O)cc1O ZINC001144509470 931875707 /nfs/dbraw/zinc/87/57/07/931875707.db2.gz XGUMVSJWIUODTJ-UHFFFAOYSA-N 1 0 255.314 1.396 20 10 CDCDRO C[N@H+](CCc1cccnc1)Cc1c(O)cc(O)cc1O ZINC001144514512 931876528 /nfs/dbraw/zinc/87/65/28/931876528.db2.gz IONWBFYEAZNWEL-UHFFFAOYSA-N 1 0 274.320 1.873 20 10 CDCDRO O=C1CC[N@@H+](Cc2c(O)cc(O)cc2O)C[C@@H]2CCCN12 ZINC001144515905 931881278 /nfs/dbraw/zinc/88/12/78/931881278.db2.gz ITNYQXCUCPLYMS-JTQLQIEISA-N 1 0 292.335 1.000 20 10 CDCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147393 931980400 /nfs/dbraw/zinc/98/04/00/931980400.db2.gz UOKIVUFOFSAXAO-NHYWBVRUSA-N 1 0 283.368 1.839 20 10 CDCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001118179613 937598984 /nfs/dbraw/zinc/59/89/84/937598984.db2.gz ZUVCAPYXLDHDGM-ZIAGYGMSSA-N 1 0 292.423 1.754 20 10 CDCDRO Cc1ccc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c(O)c1 ZINC001276168980 932590838 /nfs/dbraw/zinc/59/08/38/932590838.db2.gz LWMWVLWWYWPLIP-KRWDZBQOSA-N 1 0 290.407 1.997 20 10 CDCDRO CO[C@@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118423685 937626489 /nfs/dbraw/zinc/62/64/89/937626489.db2.gz LZMXFJJZOILWOV-ZDUSSCGKSA-N 1 0 295.402 1.702 20 10 CDCDRO CC(C)(C)[NH+]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148583871 932751195 /nfs/dbraw/zinc/75/11/95/932751195.db2.gz FDUHXCPYCZKYMB-UHFFFAOYSA-N 1 0 294.351 1.360 20 10 CDCDRO CN(C)c1cc[nH+]cc1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148581118 932751409 /nfs/dbraw/zinc/75/14/09/932751409.db2.gz LLFSHYHMVNVDKI-UHFFFAOYSA-N 1 0 289.291 1.517 20 10 CDCDRO C[C@H]([C@H](C)[NH2+]Cc1ccc(N)cc1)N1CCOCC1 ZINC001120370615 937796325 /nfs/dbraw/zinc/79/63/25/937796325.db2.gz CFFVSAZCTTZCRI-QWHCGFSZSA-N 1 0 263.385 1.468 20 10 CDCDRO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1c(O)cccc1F ZINC001276360500 935059391 /nfs/dbraw/zinc/05/93/91/935059391.db2.gz UQFWYCNBEYBIJG-BETUJISGSA-N 1 0 293.386 1.351 20 10 CDCDRO CCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001122610067 937945494 /nfs/dbraw/zinc/94/54/94/937945494.db2.gz QBTKLRMAIFGINA-CQSZACIVSA-N 1 0 261.369 1.412 20 10 CDCDRO C[C@H]1CC[NH2+][C@H](C(=O)N2CCc3cccc(O)c3C2)C1 ZINC001160872600 938835165 /nfs/dbraw/zinc/83/51/65/938835165.db2.gz MPWRMBUBHMKZGD-FZMZJTMJSA-N 1 0 274.364 1.665 20 10 CDCDRO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924663 938844513 /nfs/dbraw/zinc/84/45/13/938844513.db2.gz NVYFZCLTWYVUGO-CHWSQXEVSA-N 1 0 290.363 1.500 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2CC[NH2+]C3(CC3)C2)cc1 ZINC001161544954 938909632 /nfs/dbraw/zinc/90/96/32/938909632.db2.gz JUVRUKJGMJPYPL-VMPITWQZSA-N 1 0 285.391 1.730 20 10 CDCDRO O=C(c1ccc(O)c(O)c1Cl)N1CC[NH2+]C2(CC2)C1 ZINC001161556567 938911804 /nfs/dbraw/zinc/91/18/04/938911804.db2.gz RWJOVIZZXANXPW-UHFFFAOYSA-N 1 0 282.727 1.329 20 10 CDCDRO [NH3+][C@H]1CCN(c2cc3c(cc2Br)CNC3=O)C1 ZINC001164289484 939447531 /nfs/dbraw/zinc/44/75/31/939447531.db2.gz XTCRIQJXWWBJQV-QMMMGPOBSA-N 1 0 296.168 1.230 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCOC[C@](O)(C(F)(F)F)C1 ZINC001203550102 939692761 /nfs/dbraw/zinc/69/27/61/939692761.db2.gz HVXDEYWHVPTZLM-LBPRGKRZSA-N 1 0 291.269 1.518 20 10 CDCDRO COc1cccc(C[N@H+]2CCc3nncn3CC2)c1O ZINC001203590042 939694741 /nfs/dbraw/zinc/69/47/41/939694741.db2.gz RPOSLZXIWPUJET-UHFFFAOYSA-N 1 0 274.324 1.051 20 10 CDCDRO CCOC(=O)C1C[NH+](Cc2cccc(OC)c2O)C1 ZINC001203595966 939695745 /nfs/dbraw/zinc/69/57/45/939695745.db2.gz VHEOEEGCUMJBDP-UHFFFAOYSA-N 1 0 265.309 1.396 20 10 CDCDRO COc1ccc(C[N@H+](C)CCC(=O)N(C)C)c(O)c1 ZINC001203628600 939697992 /nfs/dbraw/zinc/69/79/92/939697992.db2.gz DLUKYQIHFMPWNL-UHFFFAOYSA-N 1 0 266.341 1.311 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(O)c1 ZINC001204276758 939750842 /nfs/dbraw/zinc/75/08/42/939750842.db2.gz QCSJFCGQJSDZCG-CQSZACIVSA-N 1 0 269.316 1.784 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(O)cc2O)[C@H](C)C1 ZINC001204282068 939752736 /nfs/dbraw/zinc/75/27/36/939752736.db2.gz NGWITJTWZDAGQD-LLVKDONJSA-N 1 0 250.342 1.624 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](O)CC2)cc(O)c1O ZINC001204343426 939757506 /nfs/dbraw/zinc/75/75/06/939757506.db2.gz QAHRFMFSROHZJW-LLVKDONJSA-N 1 0 267.325 1.453 20 10 CDCDRO CC[N@H+](Cc1cc(O)c(O)c(OC)c1)CC(C)(C)O ZINC001204346734 939759618 /nfs/dbraw/zinc/75/96/18/939759618.db2.gz XRAOANHJWHGZLO-UHFFFAOYSA-N 1 0 269.341 1.699 20 10 CDCDRO [NH3+]CC1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001205040924 939817309 /nfs/dbraw/zinc/81/73/09/939817309.db2.gz LUUJPWDXLCMJPC-UHFFFAOYSA-N 1 0 256.296 1.841 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(F)c(F)cc1O ZINC001205075824 939820650 /nfs/dbraw/zinc/82/06/50/939820650.db2.gz OQWSDQOZRXOZFM-WPRPVWTQSA-N 1 0 256.296 1.982 20 10 CDCDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC001205220469 939837400 /nfs/dbraw/zinc/83/74/00/939837400.db2.gz KLSKKDFXILCBRI-AWEZNQCLSA-N 1 0 268.332 1.207 20 10 CDCDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H]2COC)cc1 ZINC001210530015 940696957 /nfs/dbraw/zinc/69/69/57/940696957.db2.gz BQLCWSHVFOYCHR-QGZVFWFLSA-N 1 0 291.439 1.953 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC000305201975 940872493 /nfs/dbraw/zinc/87/24/93/940872493.db2.gz NBFRQMQPXOTWLO-LLVKDONJSA-N 1 0 251.326 1.605 20 10 CDCDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001217987782 941033235 /nfs/dbraw/zinc/03/32/35/941033235.db2.gz BJKLKZLQBXNVMI-XPTSAGLGSA-N 1 0 289.335 1.808 20 10 CDCDRO COc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000187546195 941036790 /nfs/dbraw/zinc/03/67/90/941036790.db2.gz FIZRLPBCZIWXHD-HNNXBMFYSA-N 1 0 279.336 1.392 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC001276806307 941361197 /nfs/dbraw/zinc/36/11/97/941361197.db2.gz LOMSMFRVMGDNPZ-HOCLYGCPSA-N 1 0 292.379 1.224 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@H]2CC[NH2+]C[C@H]2F)c(O)c1 ZINC001220825834 941475134 /nfs/dbraw/zinc/47/51/34/941475134.db2.gz UCMMQPPLAXBVQJ-WCQYABFASA-N 1 0 280.343 1.573 20 10 CDCDRO Cc1cc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)ccc1N(C)C ZINC001276929072 941704825 /nfs/dbraw/zinc/70/48/25/941704825.db2.gz JWSMIRDBACSKER-ZDUSSCGKSA-N 1 0 273.380 1.368 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001276958616 941733349 /nfs/dbraw/zinc/73/33/49/941733349.db2.gz RJNSMBXDPSFDBA-HNNXBMFYSA-N 1 0 287.407 1.663 20 10 CDCDRO NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277193150 942157576 /nfs/dbraw/zinc/15/75/76/942157576.db2.gz YVZDJQGYQQYEOK-XJKSGUPXSA-N 1 0 290.363 1.575 20 10 CDCDRO Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)ccc1N(C)C ZINC000815063106 942408597 /nfs/dbraw/zinc/40/85/97/942408597.db2.gz GKPFQLIWJXCKPY-SJORKVTESA-N 1 0 289.423 1.576 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)cc1O ZINC001231633683 942949549 /nfs/dbraw/zinc/94/95/49/942949549.db2.gz SUJIZPAGXAQKEY-HNNXBMFYSA-N 1 0 279.336 1.719 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c(O)cc1O ZINC001231635422 942950766 /nfs/dbraw/zinc/95/07/66/942950766.db2.gz YNYIPRXRXVZQEF-JQWIXIFHSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(C[N@@H+]2CCOC[C@H]2C(C)C)c(O)cc1O ZINC001231636892 942951489 /nfs/dbraw/zinc/95/14/89/942951489.db2.gz ATNXQXLAYOINAN-LBPRGKRZSA-N 1 0 281.352 1.963 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001231842834 943026473 /nfs/dbraw/zinc/02/64/73/943026473.db2.gz PZZUAYFOKBQHAJ-TZMCWYRMSA-N 1 0 265.353 1.184 20 10 CDCDRO COC(=O)C[C@H]1COCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231849618 943028018 /nfs/dbraw/zinc/02/80/18/943028018.db2.gz SSBFFJODKLYTHS-ZDUSSCGKSA-N 1 0 293.363 1.773 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231855899 943030145 /nfs/dbraw/zinc/03/01/45/943030145.db2.gz IDGPATWPCGEIQN-AWEZNQCLSA-N 1 0 264.369 1.982 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(Cl)c(O)cc1O ZINC001232259351 943192407 /nfs/dbraw/zinc/19/24/07/943192407.db2.gz WKQVZQJDDWULNS-UHFFFAOYSA-N 1 0 289.759 1.846 20 10 CDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232835096 943413193 /nfs/dbraw/zinc/41/31/93/943413193.db2.gz VRCRIDRVQIRNGU-BXUZGUMPSA-N 1 0 264.369 1.803 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]12 ZINC001233017635 943465786 /nfs/dbraw/zinc/46/57/86/943465786.db2.gz IWGMNJCQDFBURR-MNOVXSKESA-N 1 0 277.320 1.604 20 10 CDCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001233017501 943465845 /nfs/dbraw/zinc/46/58/45/943465845.db2.gz XAIUXWLWQQUSMI-VXGBXAGGSA-N 1 0 278.352 1.329 20 10 CDCDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C[C@H](O)CO ZINC001233453045 943587536 /nfs/dbraw/zinc/58/75/36/943587536.db2.gz SYESJAYXDCLUQR-JTQLQIEISA-N 1 0 279.258 1.196 20 10 CDCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482885 943590962 /nfs/dbraw/zinc/59/09/62/943590962.db2.gz GBHLTLOMOLZHQS-JTQLQIEISA-N 1 0 253.298 1.414 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@]1(C)O ZINC001233482841 943591349 /nfs/dbraw/zinc/59/13/49/943591349.db2.gz DOUOZZABQXUGGF-BMIGLBTASA-N 1 0 281.352 1.786 20 10 CDCDRO Oc1cc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1O ZINC001233485270 943592020 /nfs/dbraw/zinc/59/20/20/943592020.db2.gz OXJRVUFJXYBWJU-GFCCVEGCSA-N 1 0 278.352 1.474 20 10 CDCDRO Oc1cc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1O ZINC001233484891 943592788 /nfs/dbraw/zinc/59/27/88/943592788.db2.gz BERZUFPPVCKBPV-GFCCVEGCSA-N 1 0 278.352 1.474 20 10 CDCDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486525 943596381 /nfs/dbraw/zinc/59/63/81/943596381.db2.gz PTKHROPWSZMURS-HNNXBMFYSA-N 1 0 278.352 1.331 20 10 CDCDRO CC[C@H]1C[NH2+]CCN1Cc1ccc2c(c1)OCCN2C ZINC001235772608 944271479 /nfs/dbraw/zinc/27/14/79/944271479.db2.gz PWPIZGUWFYMSNR-AWEZNQCLSA-N 1 0 275.396 1.699 20 10 CDCDRO COCCCN(Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001235804555 944282057 /nfs/dbraw/zinc/28/20/57/944282057.db2.gz FKPRHRBTTRGMJE-INIZCTEOSA-N 1 0 277.412 1.859 20 10 CDCDRO CCOc1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992626 944359790 /nfs/dbraw/zinc/35/97/90/944359790.db2.gz PUWFLDISQQYLBQ-SWLSCSKDSA-N 1 0 262.353 1.714 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001236023812 944379430 /nfs/dbraw/zinc/37/94/30/944379430.db2.gz RNKXOSNQDNOCQG-KSSFIOAISA-N 1 0 299.418 1.624 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])C2)c(Cl)c1 ZINC001236174492 944423430 /nfs/dbraw/zinc/42/34/30/944423430.db2.gz SBJQZEFVLRBBPG-MRVPVSSYSA-N 1 0 256.733 1.587 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(Cl)cc1O ZINC001236201219 944429910 /nfs/dbraw/zinc/42/99/10/944429910.db2.gz VJHUJBTVNUBTHQ-MNOVXSKESA-N 1 0 284.743 1.120 20 10 CDCDRO Oc1c(CN2C[C@@H]3C[NH2+]C[C@@H]32)ccc2ccccc21 ZINC001236288848 944447756 /nfs/dbraw/zinc/44/77/56/944447756.db2.gz JCDYEMOEMOPJRJ-ZFWWWQNUSA-N 1 0 254.333 1.949 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@]23CCOC3)cc1OC ZINC001236755097 944558401 /nfs/dbraw/zinc/55/84/01/944558401.db2.gz YXAQBWYTLVOQCY-HNNXBMFYSA-N 1 0 279.336 1.774 20 10 CDCDRO COc1cc(C)c(C[NH+]2CCN(C3COC3)CC2)c(O)c1 ZINC001236818089 944580896 /nfs/dbraw/zinc/58/08/96/944580896.db2.gz IRFATXUIODXRAL-UHFFFAOYSA-N 1 0 292.379 1.226 20 10 CDCDRO O=C1C[N@H+](Cc2cc3ccccc3cc2O)CCCN1 ZINC001236827417 944585039 /nfs/dbraw/zinc/58/50/39/944585039.db2.gz RTWWEGTZFKLKTJ-UHFFFAOYSA-N 1 0 270.332 1.867 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@@H]1O ZINC001236826447 944585338 /nfs/dbraw/zinc/58/53/38/944585338.db2.gz JTZQWOQEKAMHSW-HOTGVXAUSA-N 1 0 287.359 1.721 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001237049535 944646814 /nfs/dbraw/zinc/64/68/14/944646814.db2.gz HKPKMNZZSWOEBD-JKSUJKDBSA-N 1 0 295.379 1.356 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c(OC)c1 ZINC001237668649 944917265 /nfs/dbraw/zinc/91/72/65/944917265.db2.gz DZCKKFOKQRYURD-YPMHNXCESA-N 1 0 293.363 1.878 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CC3(CC(O)C3)C2)c1O ZINC001238058378 945045635 /nfs/dbraw/zinc/04/56/35/945045635.db2.gz REFTUYMCGWEZEX-UHFFFAOYSA-N 1 0 251.301 1.796 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001262572483 946725453 /nfs/dbraw/zinc/72/54/53/946725453.db2.gz VVTKEDILULDSGL-HNNXBMFYSA-N 1 0 290.411 1.942 20 10 CDCDRO Oc1cccc(C[NH2+][C@@H]2CC3CCN(CC3)C2)c1O ZINC001254848549 947626241 /nfs/dbraw/zinc/62/62/41/947626241.db2.gz PTYFAIPVKIYKLZ-CYBMUJFWSA-N 1 0 262.353 1.672 20 10 CDCDRO O=C1C[C@H]2CC([NH2+]Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001254923167 947655318 /nfs/dbraw/zinc/65/53/18/947655318.db2.gz BGNWYELXLABSMP-GHMZBOCLSA-N 1 0 261.321 1.945 20 10 CDCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001325843758 954100899 /nfs/dbraw/zinc/10/08/99/954100899.db2.gz HDCCMMQYNYVKRQ-RYUDHWBXSA-N 1 0 296.386 1.646 20 10 CDCDRO C[N@@H+]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1 ZINC001303989401 956145278 /nfs/dbraw/zinc/14/52/78/956145278.db2.gz OKVXOGLRRHXQCU-VSKVDJIOSA-N 1 0 290.363 1.567 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCOC2)c(O)c1OC ZINC001333685283 958513168 /nfs/dbraw/zinc/51/31/68/958513168.db2.gz PAQHYINXZPDWJO-OAHLLOKOSA-N 1 0 281.352 1.926 20 10 CDCDRO Nc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC001335284926 959684139 /nfs/dbraw/zinc/68/41/39/959684139.db2.gz HWLGAJDFWDWVEI-UHFFFAOYSA-N 1 0 282.391 1.982 20 10 CDCDRO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001337834820 961455833 /nfs/dbraw/zinc/45/58/33/961455833.db2.gz XLTXCFQDFDPXMZ-UHFFFAOYSA-N 1 0 275.396 1.959 20 10 CDCDRO Nc1ccc(CNC(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC001346685500 965213280 /nfs/dbraw/zinc/21/32/80/965213280.db2.gz KKHCVEFLGLXDNR-CQSZACIVSA-N 1 0 276.384 1.600 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC001350178628 966598761 /nfs/dbraw/zinc/59/87/61/966598761.db2.gz ADFJLISVSDLNNQ-JOCQHMNTSA-N 1 0 276.384 1.289 20 10 CDCDRO COC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CCO1 ZINC001355225810 969094573 /nfs/dbraw/zinc/09/45/73/969094573.db2.gz JYVQRVBGAPMVGE-GFCCVEGCSA-N 1 0 297.351 1.257 20 10 CDCDRO Cc1nccc(N2CC[NH+](Cc3ccc(N)cc3)CC2)n1 ZINC001356082696 969328737 /nfs/dbraw/zinc/32/87/37/969328737.db2.gz CNCMSDDNFWQBSM-UHFFFAOYSA-N 1 0 283.379 1.689 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC000775716916 970101372 /nfs/dbraw/zinc/10/13/72/970101372.db2.gz ILRDNHKFTNKAIS-KGLIPLIRSA-N 1 0 296.798 1.869 20 10 CDCDRO C[NH+]1CCC(C(=O)NCc2cccc(O)c2O)CC1 ZINC001521852807 970366203 /nfs/dbraw/zinc/36/62/03/970366203.db2.gz ZQKFMQVNIPZHIL-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO Nc1ccc(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001515333411 976431908 /nfs/dbraw/zinc/43/19/08/976431908.db2.gz PAWQPPWGSNKZER-LQDVMPOASA-N 1 0 273.380 1.806 20 10 CDCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1O ZINC000811931364 1163561980 /nfs/dbraw/zinc/56/19/80/1163561980.db2.gz ZXXPBFIRDPHRAF-LBPRGKRZSA-N 1 0 279.384 1.920 20 10 CDCDRO CC(C)C[C@@](C)(C[NH3+])C(=O)NCc1c(O)cccc1O ZINC001575533624 1171193626 /nfs/dbraw/zinc/19/36/26/1171193626.db2.gz CSTUXBXQLHLUPL-HNNXBMFYSA-N 1 0 280.368 1.725 20 10 CDCDRO C[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[NH2+]C1 ZINC001576541765 1171451946 /nfs/dbraw/zinc/45/19/46/1171451946.db2.gz PMBWQSZPBOFIPB-CYBMUJFWSA-N 1 0 275.312 1.331 20 10 CDCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(Cl)cc1O ZINC001578797898 1172013494 /nfs/dbraw/zinc/01/34/94/1172013494.db2.gz UKQAZFCEZJJMMN-GFCCVEGCSA-N 1 0 298.770 1.383 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccccc1O ZINC000036794785 356884109 /nfs/dbraw/zinc/88/41/09/356884109.db2.gz SYKQWUHCGZPJKY-CMPLNLGQSA-N 1 0 250.342 1.958 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193682019 358315398 /nfs/dbraw/zinc/31/53/98/358315398.db2.gz REFZCPCITHNIOL-JOYOIKCWSA-N 1 0 264.325 1.015 20 10 CDCDRO CC(C)C[N@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000132905215 358586038 /nfs/dbraw/zinc/58/60/38/358586038.db2.gz VNNYVPDLGXKLDJ-UHFFFAOYSA-N 1 0 280.324 1.064 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1CC[NH2+]CC1 ZINC000237150424 361440078 /nfs/dbraw/zinc/44/00/78/361440078.db2.gz CHIMTFJVQMHLOA-UHFFFAOYSA-N 1 0 289.379 1.478 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCOC2)c1O ZINC000135149848 361697248 /nfs/dbraw/zinc/69/72/48/361697248.db2.gz CGUNASALPADAIY-LBPRGKRZSA-N 1 0 267.300 1.955 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000168150277 364137501 /nfs/dbraw/zinc/13/75/01/364137501.db2.gz FTBMVDZBDRUYNW-QGHHPUGFSA-N 1 0 253.367 1.478 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269272843 364171783 /nfs/dbraw/zinc/17/17/83/364171783.db2.gz UJKLMLGARXONGB-NHYWBVRUSA-N 1 0 273.380 1.410 20 10 CDCDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000269442308 364195741 /nfs/dbraw/zinc/19/57/41/364195741.db2.gz GBEUPKKMHJQHLD-GFCCVEGCSA-N 1 0 298.408 1.153 20 10 CDCDRO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccccc1O ZINC000272872623 365427069 /nfs/dbraw/zinc/42/70/69/365427069.db2.gz OYQFVJOKDYIGBA-JSGCOSHPSA-N 1 0 291.395 1.383 20 10 CDCDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000284278513 368510300 /nfs/dbraw/zinc/51/03/00/368510300.db2.gz HKNBGAHIQMJJRL-RYUDHWBXSA-N 1 0 282.359 1.418 20 10 CDCDRO CCN1CCN(C(=O)c2ccc(C)c(O)c2O)[C@H](C)C1 ZINC000288510541 369460171 /nfs/dbraw/zinc/46/01/71/369460171.db2.gz QVIXLZXXZQYGEW-LLVKDONJSA-N 1 0 278.352 1.572 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000123971204 374745618 /nfs/dbraw/zinc/74/56/18/374745618.db2.gz CBMKLLJMJDPBEY-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCCCNC1=O ZINC000123973328 374745865 /nfs/dbraw/zinc/74/58/65/374745865.db2.gz DAUWUNMKKWVXTR-NSHDSACASA-N 1 0 292.335 1.221 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC2(O)CCC2)c1 ZINC000285371982 377762052 /nfs/dbraw/zinc/76/20/52/377762052.db2.gz ZJSHGASFRGEHFU-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO CS(=O)(=O)CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000292734621 378017251 /nfs/dbraw/zinc/01/72/51/378017251.db2.gz GSYHTXISSUIMTF-UHFFFAOYSA-N 1 0 283.393 1.649 20 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1.079 20 10 CDCDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(F)ccc1O ZINC000168734989 390937543 /nfs/dbraw/zinc/93/75/43/390937543.db2.gz XQZKUXXHWAIKRJ-VIFPVBQESA-N 1 0 266.316 1.708 20 10 CDCDRO CCCOc1ccc(CN2CCNC(=O)[C@@H]2CC)c(O)c1 ZINC000093050454 390899392 /nfs/dbraw/zinc/89/93/92/390899392.db2.gz QQZPHOQLOBFVLX-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000122746764 390906409 /nfs/dbraw/zinc/90/64/09/390906409.db2.gz LUDWWFMWMFWPOV-AWEZNQCLSA-N 1 0 292.379 1.844 20 10 CDCDRO O=C1NCCN1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000183253233 391258242 /nfs/dbraw/zinc/25/82/42/391258242.db2.gz PGAAZTWVJUDKME-UHFFFAOYSA-N 1 0 293.342 1.521 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccccc1O ZINC000183543273 391266697 /nfs/dbraw/zinc/26/66/97/391266697.db2.gz ALIGPDPJCLREIP-GXFFZTMASA-N 1 0 253.367 1.911 20 10 CDCDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1ccccn1 ZINC000237589033 391291722 /nfs/dbraw/zinc/29/17/22/391291722.db2.gz NBUPVUAMRUNHNE-UHFFFAOYSA-N 1 0 272.352 1.568 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1O ZINC000158135171 392422442 /nfs/dbraw/zinc/42/24/42/392422442.db2.gz ZIMBLQLNGZYLDE-HUUCEWRRSA-N 1 0 276.380 1.653 20 10 CDCDRO CC(C)[N@H+](C)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227436300 393208320 /nfs/dbraw/zinc/20/83/20/393208320.db2.gz USIHLFDPMBCQSA-UHFFFAOYSA-N 1 0 280.368 1.941 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000081018013 1173006253 /nfs/dbraw/zinc/00/62/53/1173006253.db2.gz LDHQIZCBBCJIKP-OAHLLOKOSA-N 1 0 275.396 1.901 20 10 CDCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccccc1O ZINC000020125223 171008035 /nfs/dbraw/zinc/00/80/35/171008035.db2.gz BQKVJZKVLZHZSV-LLVKDONJSA-N 1 0 250.342 1.815 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCCS(C)(=O)=O)c(O)c1 ZINC000038047359 174056399 /nfs/dbraw/zinc/05/63/99/174056399.db2.gz IQOSRQDXWPYXKE-NSHDSACASA-N 1 0 271.382 1.786 20 10 CDCDRO CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccccc1O ZINC000038047107 174057265 /nfs/dbraw/zinc/05/72/65/174057265.db2.gz FWLPMGPAPIFRDQ-LBPRGKRZSA-N 1 0 271.382 1.868 20 10 CDCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000155651624 261105493 /nfs/dbraw/zinc/10/54/93/261105493.db2.gz IAUFGDWCSUCWBM-ZDUSSCGKSA-N 1 0 262.353 1.740 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000183628423 261983357 /nfs/dbraw/zinc/98/33/57/261983357.db2.gz OFLQCWSQNIABOP-RYUDHWBXSA-N 1 0 298.408 1.324 20 10 CDCDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000184921899 262300210 /nfs/dbraw/zinc/30/02/10/262300210.db2.gz AUNKUQGKSQKAKW-LLVKDONJSA-N 1 0 250.342 1.877 20 10 CDCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000274929422 263031553 /nfs/dbraw/zinc/03/15/53/263031553.db2.gz NVYDILAIEODKFM-IRXDYDNUSA-N 1 0 299.370 1.987 20 10 CDCDRO COc1cc(O)c(C[N@@H+](C)C[C@@H](C)OC)cc1OC ZINC000284977033 263088868 /nfs/dbraw/zinc/08/88/68/263088868.db2.gz BOGQWIRGDJAMSB-SNVBAGLBSA-N 1 0 269.341 1.876 20 10 CDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000368964117 267214914 /nfs/dbraw/zinc/21/49/14/267214914.db2.gz DZOPDELIIOKQEW-LQJRIPTKSA-N 1 0 278.327 1.617 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000180707271 329222247 /nfs/dbraw/zinc/22/22/47/329222247.db2.gz VFODKLMUQSGBOI-JKSUJKDBSA-N 1 0 293.363 1.781 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000182210630 329240773 /nfs/dbraw/zinc/24/07/73/329240773.db2.gz KPNUJJNRLLRMLF-AWEZNQCLSA-N 1 0 253.342 1.578 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(N)cc3)CC[C@H]21 ZINC000227327102 333280797 /nfs/dbraw/zinc/28/07/97/333280797.db2.gz QNLADLBAYLKDCT-GDBMZVCRSA-N 1 0 287.407 1.754 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c(O)c1 ZINC000230994654 333323452 /nfs/dbraw/zinc/32/34/52/333323452.db2.gz MEJGBJWKZDRMFE-NSHDSACASA-N 1 0 286.397 1.243 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CNCc1ccccc1O ZINC000228414538 1159265138 /nfs/dbraw/zinc/26/51/38/1159265138.db2.gz NSFVZUFUIVIRJD-CYBMUJFWSA-N 1 0 252.358 1.185 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000694515212 1159477774 /nfs/dbraw/zinc/47/77/74/1159477774.db2.gz NDVQUJFISVKZSX-ZDUSSCGKSA-N 1 0 283.393 1.758 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000274789133 520173261 /nfs/dbraw/zinc/17/32/61/520173261.db2.gz MCLPYCYBQWIYFG-UHFFFAOYSA-N 1 0 267.348 1.460 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000186820051 520175039 /nfs/dbraw/zinc/17/50/39/520175039.db2.gz JXFUMOKXAIBPNM-GFCCVEGCSA-N 1 0 263.385 1.882 20 10 CDCDRO CC[N@H+](CCNC(=O)c1cccc(O)c1O)C1CC1 ZINC000187063039 521071060 /nfs/dbraw/zinc/07/10/60/521071060.db2.gz XXBXJOPYBPIEMW-UHFFFAOYSA-N 1 0 264.325 1.312 20 10 CDCDRO CCC[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000236808031 521109052 /nfs/dbraw/zinc/10/90/52/521109052.db2.gz ARULXXNSZWQLKP-LBPRGKRZSA-N 1 0 277.368 1.605 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CC(C)(CO)CO)c1 ZINC000093502857 521141163 /nfs/dbraw/zinc/14/11/63/521141163.db2.gz XDUPWUKROKEDLY-UHFFFAOYSA-N 1 0 283.368 1.214 20 10 CDCDRO CCCN(CC)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000223229426 521608666 /nfs/dbraw/zinc/60/86/66/521608666.db2.gz XDOLAXBIIZCZJT-UHFFFAOYSA-N 1 0 280.368 1.942 20 10 CDCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000278552718 521653218 /nfs/dbraw/zinc/65/32/18/521653218.db2.gz VXEJSTYYCFCSEF-XIKARTHZSA-N 1 0 265.353 1.973 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000266177105 522095859 /nfs/dbraw/zinc/09/58/59/522095859.db2.gz DZJVJOQHSYISDG-UHFFFAOYSA-N 1 0 288.395 1.885 20 10 CDCDRO C[N@H+](CCOCC1CC1)Cc1cc2c(cc1O)OCO2 ZINC000088507650 522891947 /nfs/dbraw/zinc/89/19/47/522891947.db2.gz YDQXTMQOCBFGTR-UHFFFAOYSA-N 1 0 279.336 1.979 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000289424761 524010495 /nfs/dbraw/zinc/01/04/95/524010495.db2.gz CADNPQJSBRLOQJ-JSGCOSHPSA-N 1 0 251.326 1.512 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000228099376 524089672 /nfs/dbraw/zinc/08/96/72/524089672.db2.gz JSEGDQPVJBTMIB-AWEZNQCLSA-N 1 0 266.316 1.489 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C2(CO)CCOCC2)cc1C ZINC000266162884 525321003 /nfs/dbraw/zinc/32/10/03/525321003.db2.gz OEGSZUQXOAZFNT-UHFFFAOYSA-N 1 0 265.353 1.640 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1C ZINC000290110089 525322536 /nfs/dbraw/zinc/32/25/36/525322536.db2.gz LCGOKCDHOGDOQB-ZDUSSCGKSA-N 1 0 297.420 1.923 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CC1(O)CCOCC1 ZINC000083552384 526363126 /nfs/dbraw/zinc/36/31/26/526363126.db2.gz PSOTXCXXFYSHMT-UHFFFAOYSA-N 1 0 271.744 1.677 20 10 CDCDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(O)c1O ZINC000277438838 526505617 /nfs/dbraw/zinc/50/56/17/526505617.db2.gz FEKRCXBYPBUNQI-LBPRGKRZSA-N 1 0 290.363 1.845 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000237883196 527475967 /nfs/dbraw/zinc/47/59/67/527475967.db2.gz WMCPDIKMCJFRLB-INIZCTEOSA-N 1 0 287.407 1.898 20 10 CDCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000725849691 574444792 /nfs/dbraw/zinc/44/47/92/574444792.db2.gz UZHYUDCHJPUCKE-JTQLQIEISA-N 1 0 287.319 1.632 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1O ZINC000726243577 574495017 /nfs/dbraw/zinc/49/50/17/574495017.db2.gz ASDSPYYMRJRSRW-LBPRGKRZSA-N 1 0 279.384 1.922 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCCn2cncn2)c1 ZINC000728781876 574645549 /nfs/dbraw/zinc/64/55/49/574645549.db2.gz FQBFOXBAEZQBLG-UHFFFAOYSA-N 1 0 276.340 1.562 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000729282134 574744811 /nfs/dbraw/zinc/74/48/11/574744811.db2.gz KXYSDTSKIGGGLU-ZDUSSCGKSA-N 1 0 261.369 1.321 20 10 CDCDRO CCOC(=O)C1(C[NH2+]Cc2c(O)cccc2OC)CC1 ZINC000770665644 575483594 /nfs/dbraw/zinc/48/35/94/575483594.db2.gz NDMCNGVKQWZWEO-UHFFFAOYSA-N 1 0 279.336 1.834 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C[C@H](C)O)[C@H](C)CO)cc1 ZINC000773887976 575843295 /nfs/dbraw/zinc/84/32/95/575843295.db2.gz KLFZFXBEWTVIRM-KGLIPLIRSA-N 1 0 280.412 1.706 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)c1 ZINC000765794795 576056246 /nfs/dbraw/zinc/05/62/46/576056246.db2.gz FQHMYQANNFTFEM-KGLIPLIRSA-N 1 0 292.379 1.795 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1C ZINC000769205816 576337534 /nfs/dbraw/zinc/33/75/34/576337534.db2.gz ITCJFPCCJOFNIH-AWEZNQCLSA-N 1 0 274.364 1.816 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)CC(F)F)cc1OC ZINC000763521115 576740524 /nfs/dbraw/zinc/74/05/24/576740524.db2.gz NPCXGSPILIBTKT-SECBINFHSA-N 1 0 291.294 1.515 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccccc1O)[C@@H]1CCSC1 ZINC000764068021 576777253 /nfs/dbraw/zinc/77/72/53/576777253.db2.gz KPXRKAJFZFSGCZ-GFCCVEGCSA-N 1 0 280.393 1.446 20 10 CDCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000748373446 576909363 /nfs/dbraw/zinc/90/93/63/576909363.db2.gz TWVWYUVDNSDIMV-JTQLQIEISA-N 1 0 268.382 1.868 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000754891005 576921180 /nfs/dbraw/zinc/92/11/80/576921180.db2.gz SAPGQDXDJQMPDK-GFCCVEGCSA-N 1 0 299.392 1.458 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000756608264 576997236 /nfs/dbraw/zinc/99/72/36/576997236.db2.gz AATSQFSKTIZDRU-IAQYHMDHSA-N 1 0 275.352 1.818 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H](C)OC ZINC000812304518 617278033 /nfs/dbraw/zinc/27/80/33/617278033.db2.gz XEOOXXDQBHSILJ-YGRLFVJLSA-N 1 0 281.352 1.675 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000932477685 617311617 /nfs/dbraw/zinc/31/16/17/617311617.db2.gz JQKLSBGLGGSQNK-UHFFFAOYSA-N 1 0 291.395 1.221 20 10 CDCDRO [NH3+]C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000892090078 617473866 /nfs/dbraw/zinc/47/38/66/617473866.db2.gz CHSJLEOHMLEFCD-AWEZNQCLSA-N 1 0 289.379 1.935 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC000892098321 617479672 /nfs/dbraw/zinc/47/96/72/617479672.db2.gz ZSZGUEZAQKWUCE-CMPLNLGQSA-N 1 0 275.352 1.558 20 10 CDCDRO [NH3+]C1(CNC(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000892248119 617577863 /nfs/dbraw/zinc/57/78/63/617577863.db2.gz AYAKPUGZPLRRMS-UHFFFAOYSA-N 1 0 275.352 1.689 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000840957129 617807805 /nfs/dbraw/zinc/80/78/05/617807805.db2.gz FOGQKNVCHIYGOO-LBPRGKRZSA-N 1 0 262.353 1.611 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c(O)c1OC ZINC000893707118 617894303 /nfs/dbraw/zinc/89/43/03/617894303.db2.gz NNVXNFVDPVPCKL-RYUDHWBXSA-N 1 0 281.352 1.658 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CCO)c(O)c1OC ZINC000893715637 617954577 /nfs/dbraw/zinc/95/45/77/617954577.db2.gz CLCMPANOIMQFME-GFCCVEGCSA-N 1 0 281.352 1.756 20 10 CDCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCCS(=O)(=O)C1 ZINC000894044775 618291901 /nfs/dbraw/zinc/29/19/01/618291901.db2.gz CESGCTLURVCGMY-HNNXBMFYSA-N 1 0 296.436 1.939 20 10 CDCDRO COc1cc(C)cc(CN2CCN3C(=O)OC[C@@H]3C2)c1O ZINC000894055112 618312968 /nfs/dbraw/zinc/31/29/68/618312968.db2.gz PTAJXJBEZCDUJY-LBPRGKRZSA-N 1 0 292.335 1.346 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+][C@H](C)[C@@H]2C)cc1OC ZINC000843057818 618691901 /nfs/dbraw/zinc/69/19/01/618691901.db2.gz LVOCMMDCIYRZKL-MNOVXSKESA-N 1 0 280.368 1.592 20 10 CDCDRO CCCN(CC(N)=O)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000814177837 618701465 /nfs/dbraw/zinc/70/14/65/618701465.db2.gz QPNWGHUMFBLWLV-UHFFFAOYSA-N 1 0 297.311 1.006 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2O)[C@@H](C)C1 ZINC000894405804 618863098 /nfs/dbraw/zinc/86/30/98/618863098.db2.gz MITATDZWNSKBTB-LBPRGKRZSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CC2)c(O)c1OC ZINC000894631095 618997773 /nfs/dbraw/zinc/99/77/73/618997773.db2.gz AUQKRAKATGCUNM-CYBMUJFWSA-N 1 0 281.352 1.924 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(=O)NC ZINC000894790191 619055440 /nfs/dbraw/zinc/05/54/40/619055440.db2.gz LPQNDJWIDDLJFO-SNVBAGLBSA-N 1 0 282.340 1.024 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000895001558 619188599 /nfs/dbraw/zinc/18/85/99/619188599.db2.gz PWJYEWZJRYRNFP-NSHDSACASA-N 1 0 280.368 1.712 20 10 CDCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)[nH]1 ZINC000895008222 619206259 /nfs/dbraw/zinc/20/62/59/619206259.db2.gz TZEBHIGSNRADJB-SNVBAGLBSA-N 1 0 276.315 1.947 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000895041463 619219483 /nfs/dbraw/zinc/21/94/83/619219483.db2.gz VAGVXERXBLSKQO-UHFFFAOYSA-N 1 0 269.320 1.001 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000896962309 620325922 /nfs/dbraw/zinc/32/59/22/620325922.db2.gz KSDYPGNESDTDBI-JTQLQIEISA-N 1 0 293.319 1.506 20 10 CDCDRO C[NH2+]CCN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758191 621010463 /nfs/dbraw/zinc/01/04/63/621010463.db2.gz FOFPZZVGHJPEDX-UHFFFAOYSA-N 1 0 290.411 1.430 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]Cc2cn(C)cn2)c1 ZINC000898045004 621279697 /nfs/dbraw/zinc/27/96/97/621279697.db2.gz GBDRIVLJJKLMJF-UHFFFAOYSA-N 1 0 261.325 1.814 20 10 CDCDRO CCC[C@@](C)([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000904918366 626361970 /nfs/dbraw/zinc/36/19/70/626361970.db2.gz IPPHNHXHOREUAM-MRXNPFEDSA-N 1 0 291.395 1.996 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1O ZINC000153863117 631921497 /nfs/dbraw/zinc/92/14/97/631921497.db2.gz IKGJIZDNYBLQJY-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)C[S@@](C)=O)c1O ZINC000691527926 1162655637 /nfs/dbraw/zinc/65/56/37/1162655637.db2.gz VNWYHGYFISIUNG-DYZYQPBXSA-N 1 0 255.383 1.811 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2CC(C)([NH3+])C2)cc1 ZINC001157632344 1162247696 /nfs/dbraw/zinc/24/76/96/1162247696.db2.gz BNYGBFFVKQQPGW-RMKNXTFCSA-N 1 0 259.353 1.325 20 10 CDCDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc3c(cn2)NC(=O)C3)C1 ZINC001155297308 1167118920 /nfs/dbraw/zinc/11/89/20/1167118920.db2.gz CJFXSVSBSZBBSO-GFCCVEGCSA-N 1 0 280.331 1.598 20 10 CDCDRO CC1([NH3+])CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001576530121 1171448732 /nfs/dbraw/zinc/44/87/32/1171448732.db2.gz CRHPXFUZSLELDM-UHFFFAOYSA-N 1 0 289.339 1.802 20 10 CDCDRO COc1ccc(CN(C)CC[NH+]2CCCC2)c(O)c1 ZINC000133917252 1175810416 /nfs/dbraw/zinc/81/04/16/1175810416.db2.gz OSBBVIUFLAAVNQ-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO COCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001755223174 1185861675 /nfs/dbraw/zinc/86/16/75/1185861675.db2.gz HIDAHHQKARFLJS-CHWSQXEVSA-N 1 0 294.395 1.633 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@H](C)C[NH3+] ZINC000841826164 739233457 /nfs/dbraw/zinc/23/34/57/739233457.db2.gz DOJRWRLBSFSCMS-GFCCVEGCSA-N 1 0 278.400 1.550 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2COCC[C@H]2OC)c1O ZINC000724882953 739326964 /nfs/dbraw/zinc/32/69/64/739326964.db2.gz OKCFCCXTFWCPSN-VXGBXAGGSA-N 1 0 267.325 1.294 20 10 CDCDRO COc1cccc(CN2CC[NH2+]C(C)(C)C2)c1O ZINC000396050830 739328409 /nfs/dbraw/zinc/32/84/09/739328409.db2.gz DMEGYISMBLUXMO-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000840976145 739438302 /nfs/dbraw/zinc/43/83/02/739438302.db2.gz MJHAJHGSKDXIGR-ZDUSSCGKSA-N 1 0 287.411 1.910 20 10 CDCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000126887597 739450285 /nfs/dbraw/zinc/45/02/85/739450285.db2.gz PBQXTELHGAJFEV-NSHDSACASA-N 1 0 289.784 1.712 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000884306084 739511987 /nfs/dbraw/zinc/51/19/87/739511987.db2.gz SLRRIABXUPKYDI-OAHLLOKOSA-N 1 0 289.423 1.957 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC000391596504 739822938 /nfs/dbraw/zinc/82/29/38/739822938.db2.gz HXCVRRXEUFZOMT-ZDUSSCGKSA-N 1 0 261.369 1.463 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000877627039 739861614 /nfs/dbraw/zinc/86/16/14/739861614.db2.gz HKPAGRATECEOIG-AWEZNQCLSA-N 1 0 276.380 1.607 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1O ZINC000705499867 739870105 /nfs/dbraw/zinc/87/01/05/739870105.db2.gz ISDGOIBWVKKFMO-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO COc1cccc(O)c1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105892 739898510 /nfs/dbraw/zinc/89/85/10/739898510.db2.gz BLPTUQZGLLJDGU-HNNXBMFYSA-N 1 0 262.353 1.729 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)CCS(C)(=O)=O)c(O)c1 ZINC000877088737 739998042 /nfs/dbraw/zinc/99/80/42/739998042.db2.gz IBCUDVSDDFADQQ-LLVKDONJSA-N 1 0 271.382 1.613 20 10 CDCDRO CCOCCOCCN1CCCc2cc(C[NH3+])ccc21 ZINC000923286207 740013333 /nfs/dbraw/zinc/01/33/33/740013333.db2.gz KDJUBNJFWYLRRZ-UHFFFAOYSA-N 1 0 278.396 1.951 20 10 CDCDRO C[N@H+]1C[C@H]2CN(C(=O)C3=CC(=O)CS3)C[C@H]2C1 ZINC000834655361 740067096 /nfs/dbraw/zinc/06/70/96/740067096.db2.gz ALRZQFBMDPPMSQ-DTORHVGOSA-N 1 0 252.339 1.087 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(O)c1 ZINC000877100213 740070540 /nfs/dbraw/zinc/07/05/40/740070540.db2.gz QSVPCJHKSQZWOC-SWLSCSKDSA-N 1 0 264.369 1.509 20 10 CDCDRO CC1(C)CN(C(=O)NCCc2ccc(N)cc2)CC[NH2+]1 ZINC000841955531 740218890 /nfs/dbraw/zinc/21/88/90/740218890.db2.gz FUIXRUPUFCKBBT-UHFFFAOYSA-N 1 0 276.384 1.205 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[NH2+]CC2)cc1 ZINC000841654576 740220347 /nfs/dbraw/zinc/22/03/47/740220347.db2.gz NGJGBWKEHFVTRH-UHFFFAOYSA-N 1 0 276.384 1.258 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000821065808 740306213 /nfs/dbraw/zinc/30/62/13/740306213.db2.gz RIXODPFXNKRKJL-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CO1 ZINC000842776739 740340342 /nfs/dbraw/zinc/34/03/42/740340342.db2.gz ZMZAJQDMGUAEKW-GOEBONIOSA-N 1 0 289.423 1.705 20 10 CDCDRO COc1ccc(N(C)C[C@H]2CCC[NH2+]2)cc1OC ZINC000258891873 740492593 /nfs/dbraw/zinc/49/25/93/740492593.db2.gz LKULHTFNFFKSLU-LLVKDONJSA-N 1 0 250.342 1.892 20 10 CDCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc(O)c1O ZINC000790941314 740500006 /nfs/dbraw/zinc/50/00/06/740500006.db2.gz VVMLOXDBDLNOOG-JTQLQIEISA-N 1 0 264.325 1.312 20 10 CDCDRO CN1CCCc2cc(CNC(=O)CCCC[NH3+])ccc21 ZINC000827913970 740506342 /nfs/dbraw/zinc/50/63/42/740506342.db2.gz UJKYIMNGCIHTHD-UHFFFAOYSA-N 1 0 275.396 1.814 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C)[NH2+]C[C@H]2C)c1O ZINC000842474590 740513799 /nfs/dbraw/zinc/51/37/99/740513799.db2.gz VRNQDCXRTLIQSH-VHSXEESVSA-N 1 0 280.343 1.916 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1O ZINC000877719107 740515385 /nfs/dbraw/zinc/51/53/85/740515385.db2.gz IGEBMZYTMCJIMB-BETUJISGSA-N 1 0 288.347 1.001 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824533961 740517084 /nfs/dbraw/zinc/51/70/84/740517084.db2.gz UYPRKZHKFOIXTM-AWEZNQCLSA-N 1 0 296.386 1.865 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)NCCc1ccc(N)cc1 ZINC000841945025 740536467 /nfs/dbraw/zinc/53/64/67/740536467.db2.gz UHFVNAQRFKUOMA-ZDUSSCGKSA-N 1 0 264.373 1.094 20 10 CDCDRO C[NH2+]Cc1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881378011 740558975 /nfs/dbraw/zinc/55/89/75/740558975.db2.gz BIRJAIQHVZWKAW-UHFFFAOYSA-N 1 0 259.357 1.420 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)ccc1N(C)C ZINC000839665048 740827830 /nfs/dbraw/zinc/82/78/30/740827830.db2.gz GLJSIWJQFKWVFX-HOCLYGCPSA-N 1 0 278.396 1.236 20 10 CDCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193824 740829083 /nfs/dbraw/zinc/82/90/83/740829083.db2.gz QOQIYRLJDMVRQO-HNNXBMFYSA-N 1 0 291.395 1.267 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000311856400 740839539 /nfs/dbraw/zinc/83/95/39/740839539.db2.gz JTKAENINWNAOGU-FZMZJTMJSA-N 1 0 262.353 1.585 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597522 740844243 /nfs/dbraw/zinc/84/42/43/740844243.db2.gz MPJOGONMPVGTBD-WDEREUQCSA-N 1 0 276.380 1.871 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922161339 740853140 /nfs/dbraw/zinc/85/31/40/740853140.db2.gz BHITUYYFEPKBBD-LLVKDONJSA-N 1 0 262.353 1.626 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)c1O ZINC000848900022 740937509 /nfs/dbraw/zinc/93/75/09/740937509.db2.gz WZDKYGALTNGOPY-KBPBESRZSA-N 1 0 276.380 1.959 20 10 CDCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)NCC(F)F ZINC000887349861 740937765 /nfs/dbraw/zinc/93/77/65/740937765.db2.gz LYFQQMKAROTJNN-UHFFFAOYSA-N 1 0 298.337 1.402 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000323023550 740881176 /nfs/dbraw/zinc/88/11/76/740881176.db2.gz JYROOYWIVXOYGO-ZJUUUORDSA-N 1 0 266.341 1.576 20 10 CDCDRO Nc1ccc(CCNC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000852797559 740885708 /nfs/dbraw/zinc/88/57/08/740885708.db2.gz WGLOSSODWBVHDE-UHFFFAOYSA-N 1 0 295.386 1.887 20 10 CDCDRO Cc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1N(C)C ZINC000923360089 740927120 /nfs/dbraw/zinc/92/71/20/740927120.db2.gz GXULDTOSYIWZJW-ZBFHGGJFSA-N 1 0 259.397 1.855 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000862550290 741022100 /nfs/dbraw/zinc/02/21/00/741022100.db2.gz DEICZUMABCRWDA-AWEZNQCLSA-N 1 0 264.369 1.111 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000841938537 741037163 /nfs/dbraw/zinc/03/71/63/741037163.db2.gz FLNBXSDUEBSNGO-CYBMUJFWSA-N 1 0 276.384 1.256 20 10 CDCDRO Cc1cc(C[N@H+](C)C[C@@H]2COCCO2)ccc1N(C)C ZINC000852498455 741074603 /nfs/dbraw/zinc/07/46/03/741074603.db2.gz ICUGDTIVPKORBO-OAHLLOKOSA-N 1 0 278.396 1.908 20 10 CDCDRO CN(C)c1cc(F)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000862253160 741126189 /nfs/dbraw/zinc/12/61/89/741126189.db2.gz LQISFTGACUQTIF-RYUDHWBXSA-N 1 0 281.350 1.682 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1O ZINC000131529891 741099907 /nfs/dbraw/zinc/09/99/07/741099907.db2.gz IPHRYQWKUFXVGB-ZYHUDNBSSA-N 1 0 250.342 1.712 20 10 CDCDRO COCCNCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000817964406 741298231 /nfs/dbraw/zinc/29/82/31/741298231.db2.gz BJTCNNTVFLZPSU-SNVBAGLBSA-N 1 0 272.776 1.932 20 10 CDCDRO COc1cc(O)c(CNC[C@H]2CCCC[NH2+]2)cc1OC ZINC000841033034 741354035 /nfs/dbraw/zinc/35/40/35/741354035.db2.gz MWVKSTKJGZQLTI-GFCCVEGCSA-N 1 0 280.368 1.641 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccccc1O ZINC000879649782 741357607 /nfs/dbraw/zinc/35/76/07/741357607.db2.gz USTVUZOWVOLHDV-AGIUHOORSA-N 1 0 292.379 1.727 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H](O)C1CC1 ZINC000809751697 741363077 /nfs/dbraw/zinc/36/30/77/741363077.db2.gz JAZRSSQZQCYCNO-LBPRGKRZSA-N 1 0 265.309 1.324 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832904 741297325 /nfs/dbraw/zinc/29/73/25/741297325.db2.gz XDIVKMVOEPNXQF-CQSZACIVSA-N 1 0 288.395 1.599 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1O ZINC000846167853 741402260 /nfs/dbraw/zinc/40/22/60/741402260.db2.gz FSDQRPUOXKTPQW-ZJUUUORDSA-N 1 0 264.325 1.188 20 10 CDCDRO CN(CCC[NH3+])C(=O)NCCCSc1nccs1 ZINC000841858038 741440362 /nfs/dbraw/zinc/44/03/62/741440362.db2.gz SHGNXXBHHALOGD-UHFFFAOYSA-N 1 0 288.442 1.616 20 10 CDCDRO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818231756 741470715 /nfs/dbraw/zinc/47/07/15/741470715.db2.gz UQPJRPJMHRJQGG-HUUCEWRRSA-N 1 0 262.353 1.136 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CN)C2CC2)c1 ZINC000817960404 741511570 /nfs/dbraw/zinc/51/15/70/741511570.db2.gz MUSNBVPGYOBWCC-ZANVPECISA-N 1 0 250.342 1.789 20 10 CDCDRO CCCN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC000841955791 741599320 /nfs/dbraw/zinc/59/93/20/741599320.db2.gz NLUGRDYDAFOQKJ-OAHLLOKOSA-N 1 0 290.411 1.595 20 10 CDCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000854232532 741615623 /nfs/dbraw/zinc/61/56/23/741615623.db2.gz SDOLZRFNHIJQHK-ZJUUUORDSA-N 1 0 266.341 1.437 20 10 CDCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2COCCO2)c1 ZINC000827140598 741658318 /nfs/dbraw/zinc/65/83/18/741658318.db2.gz LYVZLGBKCCMOIS-CYBMUJFWSA-N 1 0 251.326 1.548 20 10 CDCDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087001 741750499 /nfs/dbraw/zinc/75/04/99/741750499.db2.gz RJWCZYSHMOSRJJ-LLVKDONJSA-N 1 0 270.760 1.514 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000858598395 741711185 /nfs/dbraw/zinc/71/11/85/741711185.db2.gz DRINWWGKOVDHNW-IRXDYDNUSA-N 1 0 291.439 1.860 20 10 CDCDRO CC[C@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000160060069 741718052 /nfs/dbraw/zinc/71/80/52/741718052.db2.gz JDUYGJBBVSWBRV-QMMMGPOBSA-N 1 0 259.400 1.479 20 10 CDCDRO CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226582939 741817662 /nfs/dbraw/zinc/81/76/62/741817662.db2.gz HAORIXXOJRHXID-UHFFFAOYSA-N 1 0 266.316 1.632 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(C)cc1O ZINC000876741256 741856185 /nfs/dbraw/zinc/85/61/85/741856185.db2.gz XBOPZLZJGPCHCH-GFCCVEGCSA-N 1 0 285.409 1.956 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000840964183 741864273 /nfs/dbraw/zinc/86/42/73/741864273.db2.gz YPMCEIOSKCZTRX-JSGCOSHPSA-N 1 0 265.353 1.578 20 10 CDCDRO COc1cccc(O)c1CN[C@H](CC[NH3+])C(F)F ZINC000841074854 741886240 /nfs/dbraw/zinc/88/62/40/741886240.db2.gz RWORIXOLKJZEAL-SECBINFHSA-N 1 0 260.284 1.473 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000862427007 741934417 /nfs/dbraw/zinc/93/44/17/741934417.db2.gz SJRNAVWZSPPDFQ-CQSZACIVSA-N 1 0 251.326 1.284 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000382571320 742007392 /nfs/dbraw/zinc/00/73/92/742007392.db2.gz QNGXDAMOJWJNHY-ZANVPECISA-N 1 0 257.305 1.579 20 10 CDCDRO CC(C)(C[NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597980 742071425 /nfs/dbraw/zinc/07/14/25/742071425.db2.gz XTNYYKXIMXUKLU-UHFFFAOYSA-N 1 0 276.380 1.872 20 10 CDCDRO COC1(C)CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839101278 741984579 /nfs/dbraw/zinc/98/45/79/741984579.db2.gz LPLVTRZFNFTAPL-UHFFFAOYSA-N 1 0 289.423 1.659 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(O)c1 ZINC000783735317 742276540 /nfs/dbraw/zinc/27/65/40/742276540.db2.gz PGGFGEUUKTVELI-DOMZBBRYSA-N 1 0 263.337 1.605 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000842913298 742283835 /nfs/dbraw/zinc/28/38/35/742283835.db2.gz YVRHBTBSAAWXIH-ZKYQVNSYSA-N 1 0 251.326 1.765 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000842007027 742372977 /nfs/dbraw/zinc/37/29/77/742372977.db2.gz OHNFEZNVKTTYSP-LBPRGKRZSA-N 1 0 291.395 1.808 20 10 CDCDRO CCN(C)c1ccc(Cn2cc(C[NH2+]C)nn2)cc1 ZINC000881314711 742379718 /nfs/dbraw/zinc/37/97/18/742379718.db2.gz BNKSESAEMUKQOU-UHFFFAOYSA-N 1 0 259.357 1.502 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CC[S@@](C)=O)cc1F ZINC000858138881 742436424 /nfs/dbraw/zinc/43/64/24/742436424.db2.gz CJSWLSOPKUNQNW-GOSISDBHSA-N 1 0 276.352 1.499 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c(O)c1 ZINC000824709548 739244651 /nfs/dbraw/zinc/24/46/51/739244651.db2.gz RBCRTOASPLKSHX-BBRMVZONSA-N 1 0 295.379 1.932 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000858601664 739351257 /nfs/dbraw/zinc/35/12/57/739351257.db2.gz IDKNLCPWCLOYET-NEPJUHHUSA-N 1 0 280.368 1.118 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CN)CC(C)C)c1 ZINC000841038663 739461844 /nfs/dbraw/zinc/46/18/44/739461844.db2.gz NJGQLWNCWSDRGS-GFCCVEGCSA-N 1 0 252.358 1.864 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000840940964 739566085 /nfs/dbraw/zinc/56/60/85/739566085.db2.gz KTPAVRCEVXXZTD-INIZCTEOSA-N 1 0 275.396 1.758 20 10 CDCDRO O[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000873177385 739763753 /nfs/dbraw/zinc/76/37/53/739763753.db2.gz JLBRVGYIXMWYIF-HDJSIYSDSA-N 1 0 294.370 1.523 20 10 CDCDRO Oc1ccc(F)cc1CN1CCC2(C1)OCCO2 ZINC000180064280 739825279 /nfs/dbraw/zinc/82/52/79/739825279.db2.gz DYJMWGYBKQWZCJ-UHFFFAOYSA-N 1 0 253.273 1.480 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000856073468 739841107 /nfs/dbraw/zinc/84/11/07/739841107.db2.gz QWYOVTANPDXSMA-LLVKDONJSA-N 1 0 278.352 1.620 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Cl)ccc1O ZINC000872140878 739946864 /nfs/dbraw/zinc/94/68/64/739946864.db2.gz BQMJQGMAYDLQAL-XTWCZFFVSA-N 1 0 271.744 1.846 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000227260505 739973834 /nfs/dbraw/zinc/97/38/34/739973834.db2.gz HEAIWSVIXTZJML-OAHLLOKOSA-N 1 0 292.335 1.079 20 10 CDCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCc1ccc(N)cc1 ZINC000817958249 740066030 /nfs/dbraw/zinc/06/60/30/740066030.db2.gz UVWWUYAWMSYKMN-SWLSCSKDSA-N 1 0 263.385 1.168 20 10 CDCDRO COCCN(C)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846145927 740156645 /nfs/dbraw/zinc/15/66/45/740156645.db2.gz OUHQTTVGKPDBQE-LBPRGKRZSA-N 1 0 282.384 1.630 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844186408 740167918 /nfs/dbraw/zinc/16/79/18/740167918.db2.gz IMTHSKQNLBNICT-YUELXQCFSA-N 1 0 273.380 1.428 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000801733025 740197176 /nfs/dbraw/zinc/19/71/76/740197176.db2.gz JTYGSAMEOFRQMI-SSDOTTSWSA-N 1 0 263.696 1.282 20 10 CDCDRO CC(C)(CO)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000779021588 740239600 /nfs/dbraw/zinc/23/96/00/740239600.db2.gz VHZBQGSEVHIEQE-UHFFFAOYSA-N 1 0 282.359 1.420 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(O)CCC2)c1O ZINC000134517189 740301898 /nfs/dbraw/zinc/30/18/98/740301898.db2.gz WCSJSDYTEFATTI-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000858318147 740447665 /nfs/dbraw/zinc/44/76/65/740447665.db2.gz FPLYHHQCBVVBED-NSHDSACASA-N 1 0 265.357 1.251 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)O ZINC000824921642 740470028 /nfs/dbraw/zinc/47/00/28/740470028.db2.gz OPDRDBSUVYYMHH-DOMZBBRYSA-N 1 0 296.386 1.911 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000876593345 740496898 /nfs/dbraw/zinc/49/68/98/740496898.db2.gz IWHAEAALFCCCHI-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000776520473 740803168 /nfs/dbraw/zinc/80/31/68/740803168.db2.gz MFITZUPALHDPPL-MRXNPFEDSA-N 1 0 295.379 1.883 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000050395131 740828042 /nfs/dbraw/zinc/82/80/42/740828042.db2.gz QMBKARQQPGIJMK-BXUZGUMPSA-N 1 0 261.369 1.682 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCO[C@H](COC)C2)c1O ZINC000705848744 740940489 /nfs/dbraw/zinc/94/04/89/740940489.db2.gz NGNXHSHXNJHAGV-AWEZNQCLSA-N 1 0 265.353 1.802 20 10 CDCDRO CCOc1cccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c1O ZINC000814172891 740950541 /nfs/dbraw/zinc/95/05/41/740950541.db2.gz CSFOLGDWNPHGLB-IMRBUKKESA-N 1 0 291.347 1.642 20 10 CDCDRO CCNC(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000046502309 741020846 /nfs/dbraw/zinc/02/08/46/741020846.db2.gz IZRGMOLHOQRCNU-UHFFFAOYSA-N 1 0 291.395 1.343 20 10 CDCDRO CC[C@H]1COCCN1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000873189029 741067623 /nfs/dbraw/zinc/06/76/23/741067623.db2.gz NFQBRPLCROECHP-INIZCTEOSA-N 1 0 290.407 1.822 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000923007791 741085004 /nfs/dbraw/zinc/08/50/04/741085004.db2.gz OFKCUWOCPSXQHI-UMSPYCQHSA-N 1 0 251.326 1.651 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000824708023 741282757 /nfs/dbraw/zinc/28/27/57/741282757.db2.gz COQHCPZQYYXFBZ-HOCLYGCPSA-N 1 0 278.396 1.894 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)c(O)c1 ZINC000846683445 741331456 /nfs/dbraw/zinc/33/14/56/741331456.db2.gz ZOOPNISINIKFQM-NSHDSACASA-N 1 0 278.352 1.407 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706883596 741392430 /nfs/dbraw/zinc/39/24/30/741392430.db2.gz PUXXYKFNNAUDCG-UHFFFAOYSA-N 1 0 287.157 1.380 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000829764180 741468218 /nfs/dbraw/zinc/46/82/18/741468218.db2.gz HFYNZFWANGZWCJ-OAHLLOKOSA-N 1 0 291.395 1.056 20 10 CDCDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1O ZINC000846213830 741478831 /nfs/dbraw/zinc/47/88/31/741478831.db2.gz KTRVIHCSPHPOCK-WFASDCNBSA-N 1 0 265.353 1.974 20 10 CDCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000825278766 741504400 /nfs/dbraw/zinc/50/44/00/741504400.db2.gz IFYBRTVCYDAXLK-CYBMUJFWSA-N 1 0 277.368 1.628 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(C(=O)C3CC3)CC2)c1O ZINC000775646828 741588303 /nfs/dbraw/zinc/58/83/03/741588303.db2.gz OKSYRLYQZGBZCZ-UHFFFAOYSA-N 1 0 274.364 1.755 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c(O)c1 ZINC000842011321 741592104 /nfs/dbraw/zinc/59/21/04/741592104.db2.gz SKEPBEAHXHEDIS-CMPLNLGQSA-N 1 0 293.367 1.327 20 10 CDCDRO O=C1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1 ZINC000396735235 741593728 /nfs/dbraw/zinc/59/37/28/741593728.db2.gz UWXOLLSVTRTXSO-ZDUSSCGKSA-N 1 0 260.337 1.380 20 10 CDCDRO CCOC(=O)c1cnc(SCC[NH+](C)C)s1 ZINC000390477821 741757838 /nfs/dbraw/zinc/75/78/38/741757838.db2.gz JYMJZUPRLJMLPI-UHFFFAOYSA-N 1 0 260.384 1.974 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)c1 ZINC000858577847 741862850 /nfs/dbraw/zinc/86/28/50/741862850.db2.gz FQATZQWKAYKVSX-ZJUUUORDSA-N 1 0 282.340 1.460 20 10 CDCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000854233320 742009587 /nfs/dbraw/zinc/00/95/87/742009587.db2.gz XUPYUBJTCYNWPE-OLZOCXBDSA-N 1 0 295.402 1.921 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1C[NH2+]C1 ZINC000841949929 742019507 /nfs/dbraw/zinc/01/95/07/742019507.db2.gz DIADDTCPLDFVLJ-UHFFFAOYSA-N 1 0 290.411 1.644 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000840974727 742024816 /nfs/dbraw/zinc/02/48/16/742024816.db2.gz NPMZVEACULBYQV-UHFFFAOYSA-N 1 0 281.331 1.425 20 10 CDCDRO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1ccccc1O ZINC000886667941 742119412 /nfs/dbraw/zinc/11/94/12/742119412.db2.gz KXZMAUIBFZZNQN-YNEHKIRRSA-N 1 0 265.353 1.973 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000827359096 742116067 /nfs/dbraw/zinc/11/60/67/742116067.db2.gz INSYJXGDUFUXMV-GFCCVEGCSA-N 1 0 265.353 1.899 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000846158246 742138298 /nfs/dbraw/zinc/13/82/98/742138298.db2.gz VOIJFQFCQFHFTB-MFKMUULPSA-N 1 0 291.351 1.519 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000841653168 742317603 /nfs/dbraw/zinc/31/76/03/742317603.db2.gz HOKHPWJWCYLQHQ-AWEZNQCLSA-N 1 0 290.411 1.633 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1O ZINC000864052228 742528452 /nfs/dbraw/zinc/52/84/52/742528452.db2.gz FLIWHOKLYOQGNS-CYBMUJFWSA-N 1 0 262.353 1.569 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000877118941 742565828 /nfs/dbraw/zinc/56/58/28/742565828.db2.gz QCYOJWGIMSFEBL-GFCCVEGCSA-N 1 0 298.408 1.214 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000775097736 742593508 /nfs/dbraw/zinc/59/35/08/742593508.db2.gz LTKSRBDWGYPFER-CQSZACIVSA-N 1 0 296.323 1.656 20 10 CDCDRO CCc1cccc(C[N@H+](CCO)CCCO)c1O ZINC000848883729 742675294 /nfs/dbraw/zinc/67/52/94/742675294.db2.gz BUIQAPNNDDSQID-UHFFFAOYSA-N 1 0 253.342 1.131 20 10 CDCDRO NCC(F)(F)CNCc1cc(Br)ccc1O ZINC000841060144 742723938 /nfs/dbraw/zinc/72/39/38/742723938.db2.gz QFHAZOUUATTZKD-UHFFFAOYSA-N 1 0 295.127 1.838 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000788532966 742777606 /nfs/dbraw/zinc/77/76/06/742777606.db2.gz BFWXJCPDVFSVGC-ABAIWWIYSA-N 1 0 281.352 1.420 20 10 CDCDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922640529 742804151 /nfs/dbraw/zinc/80/41/51/742804151.db2.gz GPXZTHVGDSMYRY-SWLSCSKDSA-N 1 0 294.370 1.787 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCCC1(O)CCC1)OCO2 ZINC000817414114 742835248 /nfs/dbraw/zinc/83/52/48/742835248.db2.gz GALAHDCVXAWORE-UHFFFAOYSA-N 1 0 279.336 1.906 20 10 CDCDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604131659 1167851273 /nfs/dbraw/zinc/85/12/73/1167851273.db2.gz BJOVOMYTAGULDJ-UWVGGRQHSA-N 1 0 266.341 1.868 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235171303 914069979 /nfs/dbraw/zinc/06/99/79/914069979.db2.gz MYDFHVHWVWRFTC-SWLSCSKDSA-N 1 0 261.369 1.381 20 10 CDCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000699833196 914333238 /nfs/dbraw/zinc/33/32/38/914333238.db2.gz FTUNHDZZUPZAEC-WPRPVWTQSA-N 1 0 251.282 1.245 20 10 CDCDRO CN(Cc1ccc2c(c1O)C=CC(C)(C)O2)C1C[NH2+]C1 ZINC001235924389 914436391 /nfs/dbraw/zinc/43/63/91/914436391.db2.gz QPHIMWUQNSXNMW-UHFFFAOYSA-N 1 0 274.364 1.980 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC2)c1 ZINC000697419262 907642274 /nfs/dbraw/zinc/64/22/74/907642274.db2.gz NTTUOFMRNQMXRY-LLVKDONJSA-N 1 0 250.342 1.757 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261127 912071949 /nfs/dbraw/zinc/07/19/49/912071949.db2.gz VXADHHOIJOMRRF-UHFFFAOYSA-N 1 0 298.770 1.709 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001120548294 912078398 /nfs/dbraw/zinc/07/83/98/912078398.db2.gz AJDOGJQEGNCKTD-CQSZACIVSA-N 1 0 276.384 1.552 20 10 CDCDRO [NH3+][C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC[C@@H]1F ZINC001206187336 912138405 /nfs/dbraw/zinc/13/84/05/912138405.db2.gz SSSPQMHCIAMTEH-RYUDHWBXSA-N 1 0 282.315 1.352 20 10 CDCDRO C[C@H]1CN(Cc2cc(F)c(F)cc2O)C[C@H](C)[NH2+]1 ZINC001236577906 915650819 /nfs/dbraw/zinc/65/08/19/915650819.db2.gz IBALMRWHNFEGHR-IUCAKERBSA-N 1 0 256.296 1.853 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)ccc1N(C)C ZINC001139669552 936318630 /nfs/dbraw/zinc/31/86/30/936318630.db2.gz AJGMHTOXPBNOBX-IAGOWNOFSA-N 1 0 292.423 1.626 20 10 CDCDRO Cc1cc(CN2C[C@H](F)C[C@H]([NH3+])C2)ccc1N(C)C ZINC001206424059 916473689 /nfs/dbraw/zinc/47/36/89/916473689.db2.gz NKCRMZZZEDTUPO-KGLIPLIRSA-N 1 0 265.376 1.932 20 10 CDCDRO [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001137833165 936417620 /nfs/dbraw/zinc/41/76/20/936417620.db2.gz VPYAYUNYZCYROT-YPMHNXCESA-N 1 0 257.280 1.826 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)ccc21 ZINC001138354545 936525480 /nfs/dbraw/zinc/52/54/80/936525480.db2.gz MZGSFUGYQFUDAT-RDJZCZTQSA-N 1 0 290.407 1.244 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831754055 936534973 /nfs/dbraw/zinc/53/49/73/936534973.db2.gz UBMGSBVINUZHNE-IUODEOHRSA-N 1 0 291.395 1.375 20 10 CDCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC001140056469 936674932 /nfs/dbraw/zinc/67/49/32/936674932.db2.gz YDTHGEQOGJVHFW-BXUZGUMPSA-N 1 0 292.354 1.974 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001140178587 936684539 /nfs/dbraw/zinc/68/45/39/936684539.db2.gz POIKUIPKBRMKNA-GOEBONIOSA-N 1 0 279.380 1.574 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)c1O ZINC001140184106 936684749 /nfs/dbraw/zinc/68/47/49/936684749.db2.gz NDJZMUQSYWCOEJ-CYBMUJFWSA-N 1 0 290.363 1.052 20 10 CDCDRO COC(=O)CN1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181439 936684993 /nfs/dbraw/zinc/68/49/93/936684993.db2.gz BKELVNBMPUVICD-UHFFFAOYSA-N 1 0 292.379 1.300 20 10 CDCDRO OC[C@@H]1C[C@@H](F)CN1Cc1ccc(Cl)cc1O ZINC001140461829 936712372 /nfs/dbraw/zinc/71/23/72/936712372.db2.gz URKPNXJIUKKDMA-MNOVXSKESA-N 1 0 259.708 1.950 20 10 CDCDRO Cc1c(O)ccc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC001140745902 936748788 /nfs/dbraw/zinc/74/87/88/936748788.db2.gz PJWBZKBUOPXNEH-UHFFFAOYSA-N 1 0 276.380 1.934 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3ccc(O)c(C)c3O)C2)C1 ZINC001140748867 936749439 /nfs/dbraw/zinc/74/94/39/936749439.db2.gz SDUVMQSAEZNOJO-UHFFFAOYSA-N 1 0 290.363 1.460 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC001140747508 936749645 /nfs/dbraw/zinc/74/96/45/936749645.db2.gz CGMOHEUYDDZRPR-UHFFFAOYSA-N 1 0 293.363 1.788 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@](C)(O)C3)ccc21 ZINC001141143781 936819574 /nfs/dbraw/zinc/81/95/74/936819574.db2.gz KEULUPNAPPVUMG-INIZCTEOSA-N 1 0 276.380 1.862 20 10 CDCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001141157684 936822011 /nfs/dbraw/zinc/82/20/11/936822011.db2.gz MHQHXEQFMLLPHN-MRXNPFEDSA-N 1 0 290.363 1.685 20 10 CDCDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141159470 936822043 /nfs/dbraw/zinc/82/20/43/936822043.db2.gz GWQZNRRWHUWDQK-AWEZNQCLSA-N 1 0 292.379 1.979 20 10 CDCDRO Cn1cnnc1C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160992 936823226 /nfs/dbraw/zinc/82/32/26/936823226.db2.gz MHDTXXNLBCXIQI-UHFFFAOYSA-N 1 0 288.351 1.606 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205829765 925365563 /nfs/dbraw/zinc/36/55/63/925365563.db2.gz PQHSYHSAYNKEMV-RYUDHWBXSA-N 1 0 294.395 1.969 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CO1 ZINC001169336986 927962389 /nfs/dbraw/zinc/96/23/89/927962389.db2.gz AGRGLHXVBVAMCY-SMDDNHRTSA-N 1 0 295.335 1.298 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CO1 ZINC001169336980 927962988 /nfs/dbraw/zinc/96/29/88/927962988.db2.gz AGRGLHXVBVAMCY-BXUZGUMPSA-N 1 0 295.335 1.298 20 10 CDCDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1O ZINC000692804070 937233814 /nfs/dbraw/zinc/23/38/14/937233814.db2.gz UULYNDBLUUICDR-LLVKDONJSA-N 1 0 271.382 1.868 20 10 CDCDRO CN(c1ccc2c(c1)C(=O)N(C1CC1)C2)C(C)(C)C[NH3+] ZINC001170059157 929236147 /nfs/dbraw/zinc/23/61/47/929236147.db2.gz 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/nfs/dbraw/zinc/84/55/24/935845524.db2.gz KLSXLLSFKXUXHW-LBPRGKRZSA-N 1 0 267.325 1.184 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1O ZINC001203584366 939694440 /nfs/dbraw/zinc/69/44/40/939694440.db2.gz AAJOLTGTKAAZQF-RYUDHWBXSA-N 1 0 269.316 1.696 20 10 CDCDRO Oc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1O ZINC001203882708 939711668 /nfs/dbraw/zinc/71/16/68/939711668.db2.gz SBWAKXVRAAPKBU-CYBMUJFWSA-N 1 0 278.352 1.004 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276377 939749636 /nfs/dbraw/zinc/74/96/36/939749636.db2.gz LESCEYNGKAWRJZ-JTQLQIEISA-N 1 0 251.282 1.093 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272039 939749786 /nfs/dbraw/zinc/74/97/86/939749786.db2.gz IGNMKNRRPDDNDX-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001204276061 939750125 /nfs/dbraw/zinc/75/01/25/939750125.db2.gz FHUFOKPRKVDTND-PSOPSSQASA-N 1 0 279.336 1.070 20 10 CDCDRO CCC(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275543 939750573 /nfs/dbraw/zinc/75/05/73/939750573.db2.gz VXPRUNOZKCRHGE-UHFFFAOYSA-N 1 0 278.352 1.588 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CO)cc(O)c1O ZINC001204340489 939756382 /nfs/dbraw/zinc/75/63/82/939756382.db2.gz TYLGANPOYSIUTI-LLVKDONJSA-N 1 0 267.325 1.453 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)cc(O)c1O ZINC001204341835 939756963 /nfs/dbraw/zinc/75/69/63/939756963.db2.gz HBXQTDZJXJAZBI-GHMZBOCLSA-N 1 0 285.315 1.401 20 10 CDCDRO COc1cc(C[NH+]2CCC3(CCO3)CC2)cc(O)c1O ZINC001204346516 939759669 /nfs/dbraw/zinc/75/96/69/939759669.db2.gz SWNCPYWXZBGWMI-UHFFFAOYSA-N 1 0 279.336 1.861 20 10 CDCDRO COC(=O)Cc1ccc(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204808909 939793288 /nfs/dbraw/zinc/79/32/88/939793288.db2.gz DXWCPGYJERBOGO-HNNXBMFYSA-N 1 0 278.352 1.031 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)c1 ZINC001205155670 939830810 /nfs/dbraw/zinc/83/08/10/939830810.db2.gz BDVPQRFVHSYYJN-SMDDNHRTSA-N 1 0 292.379 1.134 20 10 CDCDRO Cc1c(O)ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1O ZINC001206131641 939984407 /nfs/dbraw/zinc/98/44/07/939984407.db2.gz HHDMQIGNYRTQCL-JTQLQIEISA-N 1 0 272.295 1.575 20 10 CDCDRO COc1cc(CN2CC(C)(C[NH3+])C2)c(O)c(OC)c1 ZINC001206736928 940083456 /nfs/dbraw/zinc/08/34/56/940083456.db2.gz KWLLPHVZMXLFFD-UHFFFAOYSA-N 1 0 266.341 1.190 20 10 CDCDRO CC[NH+](CC)CCn1cc(-c2ccn(C)c(=O)c2)cn1 ZINC001239203657 945337686 /nfs/dbraw/zinc/33/76/86/945337686.db2.gz ZGJGQQKESQQHSP-UHFFFAOYSA-N 1 0 274.368 1.591 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H](C2CCC2)C2C[NH2+]C2)cc1 ZINC001221414634 941532948 /nfs/dbraw/zinc/53/29/48/941532948.db2.gz RBEORLRUFFKNGA-MRXNPFEDSA-N 1 0 273.380 1.316 20 10 CDCDRO CN1CCCc2cc(C[NH+]3CC4(C[C@@H]4C(N)=O)C3)ccc21 ZINC001277254515 942245718 /nfs/dbraw/zinc/24/57/18/942245718.db2.gz UTPVEVVFPHKODC-CQSZACIVSA-N 1 0 285.391 1.376 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)C2)c(O)cc1O ZINC001231635333 942947399 /nfs/dbraw/zinc/94/73/99/942947399.db2.gz WSPYWVIUSIQZKH-JTQLQIEISA-N 1 0 253.298 1.063 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)cc1O ZINC001231634207 942949301 /nfs/dbraw/zinc/94/93/01/942949301.db2.gz JJQITHPSNYRKSU-JOYOIKCWSA-N 1 0 271.288 1.011 20 10 CDCDRO COc1cc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c(O)cc1O ZINC001231637601 942953510 /nfs/dbraw/zinc/95/35/10/942953510.db2.gz NVLJOWOMZJTQDE-DGCLKSJQSA-N 1 0 292.379 1.632 20 10 CDCDRO COc1cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)cc1O ZINC001231637984 942953578 /nfs/dbraw/zinc/95/35/78/942953578.db2.gz SHWUMYBIBHPWIT-PWSUYJOCSA-N 1 0 291.347 1.907 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)c(O)cc1O ZINC001231637339 942953952 /nfs/dbraw/zinc/95/39/52/942953952.db2.gz JLWDDXPEHRWZED-LLVKDONJSA-N 1 0 279.336 1.907 20 10 CDCDRO COC(=O)N1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231842467 943025304 /nfs/dbraw/zinc/02/53/04/943025304.db2.gz MYRZQDBCXHPWGL-UHFFFAOYSA-N 1 0 278.352 1.893 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233012017 943461643 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Cc1cc(Cl)cc(CN2CCNC[C@]23CC[NH2+]C3)c1O ZINC001234994169 944001154 /nfs/dbraw/zinc/00/11/54/944001154.db2.gz PWAMAIOWQDJXGF-OAHLLOKOSA-N 1 0 295.814 1.491 20 10 CDCDRO Cc1cc(F)cc(CN2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235082754 944048785 /nfs/dbraw/zinc/04/87/85/944048785.db2.gz ZPGFAWUSPJIUQZ-CHWSQXEVSA-N 1 0 250.317 1.776 20 10 CDCDRO COc1cc(CN(C)C[C@@H]2CCC[NH2+]2)c(O)c(OC)c1 ZINC001236125456 944410776 /nfs/dbraw/zinc/41/07/76/944410776.db2.gz ZHEMVBMAFWTTSS-LBPRGKRZSA-N 1 0 280.368 1.593 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC001236283688 944443799 /nfs/dbraw/zinc/44/37/99/944443799.db2.gz GSQSYPKYDYQCKF-FZMZJTMJSA-N 1 0 265.788 1.810 20 10 CDCDRO Oc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236291314 944450389 /nfs/dbraw/zinc/45/03/89/944450389.db2.gz LKFZUUMQQDHBNW-ONGXEEELSA-N 1 0 272.270 1.815 20 10 CDCDRO COc1cc(C)c(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC001236818435 944581303 /nfs/dbraw/zinc/58/13/03/944581303.db2.gz MNGVNWYHZAUNHU-UHFFFAOYSA-N 1 0 263.337 1.932 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)cc1F ZINC001236898914 944612019 /nfs/dbraw/zinc/61/20/19/944612019.db2.gz AXYMWVRHFOHLEH-LBPRGKRZSA-N 1 0 281.375 1.441 20 10 CDCDRO C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C[C@@H](O)CO ZINC001237116773 944657839 /nfs/dbraw/zinc/65/78/39/944657839.db2.gz MCWXJXMIHKBKTG-MRVPVSSYSA-N 1 0 295.257 1.076 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)c(OC)c1 ZINC001237674968 944920774 /nfs/dbraw/zinc/92/07/74/944920774.db2.gz OMCANPMAOQKWRH-KOLCDFICSA-N 1 0 267.325 1.365 20 10 CDCDRO Cn1ccc2c1ncnc2-c1ccc(N2CC[NH2+]CC2)nc1 ZINC001240486153 945881299 /nfs/dbraw/zinc/88/12/99/945881299.db2.gz TUPJSFFGCCJXJO-UHFFFAOYSA-N 1 0 294.362 1.440 20 10 CDCDRO COCCn1ccc2c1ncnc2-c1cnn(C2C[NH2+]C2)c1 ZINC001241591609 946371422 /nfs/dbraw/zinc/37/14/22/946371422.db2.gz HFRGYGOSVUZRFJ-UHFFFAOYSA-N 1 0 298.350 1.086 20 10 CDCDRO COc1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(O)c1OC ZINC001262372134 946620084 /nfs/dbraw/zinc/62/00/84/946620084.db2.gz HIBDOOKGKIIJRB-WCQYABFASA-N 1 0 292.379 1.545 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c1O ZINC001278355893 946943478 /nfs/dbraw/zinc/94/34/78/946943478.db2.gz ZRXPEMJRTDNLOW-LBPRGKRZSA-N 1 0 260.337 1.316 20 10 CDCDRO CCOC(=O)CC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258473896 948861256 /nfs/dbraw/zinc/86/12/56/948861256.db2.gz YPBNKQZAXFPTPT-QMTHXVAHSA-N 1 0 297.351 1.453 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001249177476 949442071 /nfs/dbraw/zinc/44/20/71/949442071.db2.gz ACJFCHNVILZMBO-OKILXGFUSA-N 1 0 291.347 1.186 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC3CC(C3)C2)c(O)c1 ZINC001249214704 949459899 /nfs/dbraw/zinc/45/98/99/949459899.db2.gz QZPHKQWRHJXWMM-UHFFFAOYSA-N 1 0 275.348 1.950 20 10 CDCDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001324439243 953387663 /nfs/dbraw/zinc/38/76/63/953387663.db2.gz UUVICTWQBAPNRC-OAHLLOKOSA-N 1 0 273.380 1.737 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(OC)cc1O ZINC001325367056 953865266 /nfs/dbraw/zinc/86/52/66/953865266.db2.gz UNMKNZCUOWELJO-SNVBAGLBSA-N 1 0 281.356 1.056 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(OC)cc1O ZINC001325367055 953866184 /nfs/dbraw/zinc/86/61/84/953866184.db2.gz UNMKNZCUOWELJO-JTQLQIEISA-N 1 0 281.356 1.056 20 10 CDCDRO CC(C)C[NH2+]CC(=O)NCc1ccc2c(c1)CCCN2C ZINC001326409034 954365797 /nfs/dbraw/zinc/36/57/97/954365797.db2.gz QBPXNEOZSUYQHN-UHFFFAOYSA-N 1 0 289.423 1.931 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC001336238094 960265992 /nfs/dbraw/zinc/26/59/92/960265992.db2.gz BABXUURDQSPTHW-CQSZACIVSA-N 1 0 276.384 1.586 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N)cc1 ZINC001336286533 960287363 /nfs/dbraw/zinc/28/73/63/960287363.db2.gz RALYEOQKTLZSRF-CQSZACIVSA-N 1 0 289.423 1.954 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336284902 960287696 /nfs/dbraw/zinc/28/76/96/960287696.db2.gz DNIGDNGOUWCRPR-CQSZACIVSA-N 1 0 282.409 1.668 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001337019320 960860191 /nfs/dbraw/zinc/86/01/91/960860191.db2.gz SHTDUHFSKAOOPL-AWEZNQCLSA-N 1 0 290.411 1.941 20 10 CDCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N)cc1 ZINC001342023971 963613771 /nfs/dbraw/zinc/61/37/71/963613771.db2.gz YPIOPKYWDDEKEX-TXEJJXNPSA-N 1 0 261.369 1.758 20 10 CDCDRO C[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccn1)c1ccccc1O ZINC001342306500 963705257 /nfs/dbraw/zinc/70/52/57/963705257.db2.gz KMTCDFITGJIWIN-BXUZGUMPSA-N 1 0 285.347 1.534 20 10 CDCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCc2n[nH]cc21 ZINC001343390068 963965150 /nfs/dbraw/zinc/96/51/50/963965150.db2.gz LFCICONPSZCIAI-UHFFFAOYSA-N 1 0 284.363 1.765 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)C12CC(C1)C[NH2+]2 ZINC001353496702 968018619 /nfs/dbraw/zinc/01/86/19/968018619.db2.gz SSYVLQAELFPKSO-UHFFFAOYSA-N 1 0 285.391 1.655 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001575460632 1171178679 /nfs/dbraw/zinc/17/86/79/1171178679.db2.gz OFTWWUJZUUIODI-NSHDSACASA-N 1 0 277.328 1.562 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCNC(C)=O)CC2)cc1 ZINC000041980950 342016904 /nfs/dbraw/zinc/01/69/04/342016904.db2.gz XRMDHFQZMRUUGE-UHFFFAOYSA-N 1 0 291.395 1.343 20 10 CDCDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000266140005 345334914 /nfs/dbraw/zinc/33/49/14/345334914.db2.gz GVDWGUHZVDICGN-UHFFFAOYSA-N 1 0 295.335 1.942 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000037751569 356527874 /nfs/dbraw/zinc/52/78/74/356527874.db2.gz JZTVVNYNPUCEAD-JTQLQIEISA-N 1 0 266.341 1.530 20 10 CDCDRO C[C@@H]([NH2+]CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551037 356548070 /nfs/dbraw/zinc/54/80/70/356548070.db2.gz CWPIZKNZDVJVNS-LLVKDONJSA-N 1 0 268.332 1.305 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180218847 357252651 /nfs/dbraw/zinc/25/26/51/357252651.db2.gz SSLRJVRAXBCVRL-ZDUSSCGKSA-N 1 0 262.353 1.659 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CC2(O)CCOCC2)c1O ZINC000188832147 357942368 /nfs/dbraw/zinc/94/23/68/357942368.db2.gz WQJAPKMPLKEVJD-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364211803 358087631 /nfs/dbraw/zinc/08/76/31/358087631.db2.gz IXBKCVKUNRCLCP-AEFFLSMTSA-N 1 0 299.418 1.903 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CC(C)(C)CO)c1 ZINC000294718196 199150298 /nfs/dbraw/zinc/15/02/98/199150298.db2.gz FFMOCENWJKQLDC-UHFFFAOYSA-N 1 0 253.342 1.851 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000192740708 358231826 /nfs/dbraw/zinc/23/18/26/358231826.db2.gz BWXNPDBVMXUWKU-LLVKDONJSA-N 1 0 268.332 1.337 20 10 CDCDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000193132072 358268319 /nfs/dbraw/zinc/26/83/19/358268319.db2.gz ZUHDWLQAFZBXIB-GFCCVEGCSA-N 1 0 292.379 1.806 20 10 CDCDRO CCN(CC)c1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1 ZINC000131560167 358337767 /nfs/dbraw/zinc/33/77/67/358337767.db2.gz KZSWHXFOFLASEY-KRWDZBQOSA-N 1 0 293.455 1.935 20 10 CDCDRO C[C@H]1COCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000370989987 360691060 /nfs/dbraw/zinc/69/10/60/360691060.db2.gz AOPYJZGVRMQZNV-SNVBAGLBSA-N 1 0 265.309 1.589 20 10 CDCDRO CCN(Cc1cccc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179562180 364993446 /nfs/dbraw/zinc/99/34/46/364993446.db2.gz GMFPYROPEYMYSR-ZDUSSCGKSA-N 1 0 283.393 1.710 20 10 CDCDRO COC(=O)CN(Cc1cccc(OC)c1O)C1CC1 ZINC000271275308 364980135 /nfs/dbraw/zinc/98/01/35/364980135.db2.gz OISOSTXNHLWQCJ-UHFFFAOYSA-N 1 0 265.309 1.538 20 10 CDCDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(F)ccc1O ZINC000273405888 365492300 /nfs/dbraw/zinc/49/23/00/365492300.db2.gz OJWPFFJYTBWPHU-WCQYABFASA-N 1 0 282.359 1.639 20 10 CDCDRO CCOc1cccc(C[NH2+]CCN2CCSCC2)c1O ZINC000226246355 367361525 /nfs/dbraw/zinc/36/15/25/367361525.db2.gz HXUGPAPWEBILJG-UHFFFAOYSA-N 1 0 296.436 1.929 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000282775899 368032331 /nfs/dbraw/zinc/03/23/31/368032331.db2.gz PXXWAKIBWFEYFE-GFCCVEGCSA-N 1 0 269.366 1.320 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1O ZINC000284235048 368506451 /nfs/dbraw/zinc/50/64/51/368506451.db2.gz VGJHSWXFUYFUIN-NWDGAFQWSA-N 1 0 283.393 1.868 20 10 CDCDRO C[C@H](C[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285705810 368652482 /nfs/dbraw/zinc/65/24/82/368652482.db2.gz CLMFFTWNBJXCOK-LLVKDONJSA-N 1 0 261.369 1.280 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1C ZINC000288717817 369485804 /nfs/dbraw/zinc/48/58/04/369485804.db2.gz ZRKTZCJHDYYKPP-WCQYABFASA-N 1 0 283.393 1.532 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)[C@H](C)CO)c(O)c1 ZINC000289183023 369529071 /nfs/dbraw/zinc/52/90/71/369529071.db2.gz APUJAQLIZAQFTC-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO CCc1nnc(CNCc2ccc3c(c2)CCO3)[nH]1 ZINC000295577878 371391009 /nfs/dbraw/zinc/39/10/09/371391009.db2.gz BENJOLNXROHBCR-UHFFFAOYSA-N 1 0 258.325 1.592 20 10 CDCDRO CC(C)[C@](C)([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000297727448 371458487 /nfs/dbraw/zinc/45/84/87/371458487.db2.gz SEPBRRWNVOUEBA-HNNXBMFYSA-N 1 0 263.385 1.742 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC(CC(N)=O)C2)cc1 ZINC000297397641 371987741 /nfs/dbraw/zinc/98/77/41/371987741.db2.gz LBWAOBCSMNCUCA-UHFFFAOYSA-N 1 0 275.396 1.840 20 10 CDCDRO CCCOc1ccc(C[NH+]2CC(C(=O)NC)C2)c(O)c1 ZINC000297520726 371998182 /nfs/dbraw/zinc/99/81/82/371998182.db2.gz YDANNGNSJNUSRK-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c(O)c1 ZINC000294122350 378613208 /nfs/dbraw/zinc/61/32/08/378613208.db2.gz KVSDQCKTFVRRNT-NSHDSACASA-N 1 0 291.351 1.211 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186202509 378846372 /nfs/dbraw/zinc/84/63/72/378846372.db2.gz HJENLGGFOLCSLP-NEPJUHHUSA-N 1 0 253.342 1.749 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COC1CCOCC1 ZINC000120765923 390875621 /nfs/dbraw/zinc/87/56/21/390875621.db2.gz JUETXFZFYHBGMJ-AWEZNQCLSA-N 1 0 295.379 1.381 20 10 CDCDRO CCC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000050193216 390820555 /nfs/dbraw/zinc/82/05/55/390820555.db2.gz JBHHQJMBQJBTJR-OAHLLOKOSA-N 1 0 278.396 1.978 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093360405 390901964 /nfs/dbraw/zinc/90/19/64/390901964.db2.gz DFQNYOCNZONWEH-AWEZNQCLSA-N 1 0 275.396 1.711 20 10 CDCDRO CN(C)c1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1F ZINC000131525219 390928326 /nfs/dbraw/zinc/92/83/26/390928326.db2.gz FKLZACSJNLJMKJ-HNNXBMFYSA-N 1 0 283.391 1.294 20 10 CDCDRO Cc1cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)ccc1N(C)C ZINC000294565493 391052613 /nfs/dbraw/zinc/05/26/13/391052613.db2.gz LUJLMUWLRMIGQA-ZDUSSCGKSA-N 1 0 275.396 1.771 20 10 CDCDRO CC(C)N1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000296840458 391061657 /nfs/dbraw/zinc/06/16/57/391061657.db2.gz MYAKHTLQNMFXHD-STQMWFEESA-N 1 0 274.364 1.978 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](CCO)COC)c1ccccc1O ZINC000229556253 391137139 /nfs/dbraw/zinc/13/71/39/391137139.db2.gz LOMSFTVMJRKKBF-WCQYABFASA-N 1 0 253.342 1.830 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CCCCO)CC2)cc1 ZINC000303381096 391112011 /nfs/dbraw/zinc/11/20/11/391112011.db2.gz RNOGDHWHMPFLTF-UHFFFAOYSA-N 1 0 278.396 1.980 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(=O)[nH]n1 ZINC000286121366 391582585 /nfs/dbraw/zinc/58/25/85/391582585.db2.gz OCSBZRZBHGVFGI-JTQLQIEISA-N 1 0 290.342 1.826 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000172507308 391854814 /nfs/dbraw/zinc/85/48/14/391854814.db2.gz PNFLGFVMYKRWJT-NSHDSACASA-N 1 0 278.352 1.504 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037268342 285575540 /nfs/dbraw/zinc/57/55/40/285575540.db2.gz DGTIZGYZUPXSAC-RYUDHWBXSA-N 1 0 263.385 1.928 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000037322437 260089430 /nfs/dbraw/zinc/08/94/30/260089430.db2.gz BHKQNBWVSNSGOO-UHFFFAOYSA-N 1 0 294.326 1.431 20 10 CDCDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(F)ccc1O ZINC000168735080 260907154 /nfs/dbraw/zinc/90/71/54/260907154.db2.gz XQZKUXXHWAIKRJ-SECBINFHSA-N 1 0 266.316 1.708 20 10 CDCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000155417930 261101464 /nfs/dbraw/zinc/10/14/64/261101464.db2.gz NASYNRVELQKRSA-CMPLNLGQSA-N 1 0 279.336 1.856 20 10 CDCDRO NC(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000158615902 261168112 /nfs/dbraw/zinc/16/81/12/261168112.db2.gz HTJUNEFIKRSHBS-UHFFFAOYSA-N 1 0 268.744 1.743 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1F ZINC000166459726 261389529 /nfs/dbraw/zinc/38/95/29/261389529.db2.gz GWCXDTTWQVDRGN-ZDUSSCGKSA-N 1 0 279.359 1.650 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180727827 261872418 /nfs/dbraw/zinc/87/24/18/261872418.db2.gz JJSYVBIJPXLJHB-CYBMUJFWSA-N 1 0 257.305 1.408 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000186149650 262082011 /nfs/dbraw/zinc/08/20/11/262082011.db2.gz BRNNXKCKURAFOY-GFCCVEGCSA-N 1 0 295.379 1.841 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000186149634 262082180 /nfs/dbraw/zinc/08/21/80/262082180.db2.gz BRNNXKCKURAFOY-LBPRGKRZSA-N 1 0 295.379 1.841 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000184670844 262291296 /nfs/dbraw/zinc/29/12/96/262291296.db2.gz RALDYBXRPKORPV-MRVPVSSYSA-N 1 0 284.743 1.361 20 10 CDCDRO C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccccc1O ZINC000282476829 263076944 /nfs/dbraw/zinc/07/69/44/263076944.db2.gz GVNIAPQUNPFIRT-CYBMUJFWSA-N 1 0 295.379 1.601 20 10 CDCDRO CCC[N@H+](Cc1cccc(C)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000283081968 276256040 /nfs/dbraw/zinc/25/60/40/276256040.db2.gz RHZUZNGFJIABRE-CYBMUJFWSA-N 1 0 290.363 1.670 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1O ZINC000272900311 328201407 /nfs/dbraw/zinc/20/14/07/328201407.db2.gz UYLMZRSTROEWSA-IAQYHMDHSA-N 1 0 265.353 1.830 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)CCOCCO)c1O ZINC000282807669 328243656 /nfs/dbraw/zinc/24/36/56/328243656.db2.gz SKSFSPGXEXYOPP-UHFFFAOYSA-N 1 0 289.759 1.495 20 10 CDCDRO COc1cccc(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC000091895785 327186910 /nfs/dbraw/zinc/18/69/10/327186910.db2.gz LKXBMFYDUZYHQS-UHFFFAOYSA-N 1 0 293.363 1.782 20 10 CDCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NC(C)(C)C ZINC000226586539 333265841 /nfs/dbraw/zinc/26/58/41/333265841.db2.gz WPSDGLPXTJRYMJ-VIFPVBQESA-N 1 0 268.332 1.924 20 10 CDCDRO COC[C@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000230935753 333322683 /nfs/dbraw/zinc/32/26/83/333322683.db2.gz ROLOOMYBRWWKCK-NSHDSACASA-N 1 0 289.759 1.805 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1O ZINC000252667301 334384608 /nfs/dbraw/zinc/38/46/08/334384608.db2.gz IIECCQHOAXMGTC-UONOGXRCSA-N 1 0 292.379 1.354 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(N)=O)CC2)c1 ZINC000093051779 1160191624 /nfs/dbraw/zinc/19/16/24/1160191624.db2.gz AJMFURINFSRFGR-UHFFFAOYSA-N 1 0 263.341 1.333 20 10 CDCDRO C[NH+](C)C[C@](C)(O)CNCc1ccc2c(c1)CCO2 ZINC000131410530 521886949 /nfs/dbraw/zinc/88/69/49/521886949.db2.gz ZELQUEKTQUUZHL-OAHLLOKOSA-N 1 0 264.369 1.024 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000291344575 521993939 /nfs/dbraw/zinc/99/39/39/521993939.db2.gz WIWWKIPWPAAETC-ZDUSSCGKSA-N 1 0 281.352 1.638 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000096810799 522098207 /nfs/dbraw/zinc/09/82/07/522098207.db2.gz SVBZNHSNKIAPKD-LBPRGKRZSA-N 1 0 278.352 1.647 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280800733 522202698 /nfs/dbraw/zinc/20/26/98/522202698.db2.gz KTDLRPUWBYSDFY-PBHICJAKSA-N 1 0 287.407 1.759 20 10 CDCDRO COC[C@@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000278349043 522258958 /nfs/dbraw/zinc/25/89/58/522258958.db2.gz MMYYSWUWWYNZIX-OCCSQVGLSA-N 1 0 283.368 1.236 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000367704872 522535729 /nfs/dbraw/zinc/53/57/29/522535729.db2.gz LMWCLRFIMVFFQA-VIFPVBQESA-N 1 0 298.770 1.752 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1OC ZINC000279426868 522781000 /nfs/dbraw/zinc/78/10/00/522781000.db2.gz NUQHWTBVRMFIIR-BONVTDFDSA-N 1 0 297.351 1.039 20 10 CDCDRO COCCOCCOCC[N@H+](C)Cc1cc(C)ccc1O ZINC000276191930 524012413 /nfs/dbraw/zinc/01/24/13/524012413.db2.gz MKFMLFAZQRNLSW-UHFFFAOYSA-N 1 0 297.395 1.812 20 10 CDCDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000036990355 524072197 /nfs/dbraw/zinc/07/21/97/524072197.db2.gz DCYBEEDZEILBJQ-LBPRGKRZSA-N 1 0 291.395 1.253 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC2CC2)c1 ZINC000036782389 524769326 /nfs/dbraw/zinc/76/93/26/524769326.db2.gz GZIDFNYUNKJBTN-VIFPVBQESA-N 1 0 264.325 1.330 20 10 CDCDRO C[C@H]([NH2+]Cc1cnnn1C)c1cc(F)ccc1O ZINC000287459540 525481559 /nfs/dbraw/zinc/48/15/59/525481559.db2.gz VQDJJQUWMVRMCT-QMMMGPOBSA-N 1 0 250.277 1.511 20 10 CDCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)N(C)C ZINC000094617125 525528504 /nfs/dbraw/zinc/52/85/04/525528504.db2.gz IUXPEGPWHQWBRY-IUCAKERBSA-N 1 0 254.305 1.659 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000364892906 525939513 /nfs/dbraw/zinc/93/95/13/525939513.db2.gz PVIKXMDGADCCEY-OAHLLOKOSA-N 1 0 292.335 1.475 20 10 CDCDRO OC[C@@H]1CC[C@H](C[NH2+]Cc2c(O)cccc2Cl)O1 ZINC000292638299 527594044 /nfs/dbraw/zinc/59/40/44/527594044.db2.gz KADXVPWSBLADTD-ZJUUUORDSA-N 1 0 271.744 1.675 20 10 CDCDRO CCn1cnnc1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000741157797 576540067 /nfs/dbraw/zinc/54/00/67/576540067.db2.gz AXDCJMQVCGVFIN-UHFFFAOYSA-N 1 0 274.368 1.947 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@@H]1O ZINC000770380752 575475743 /nfs/dbraw/zinc/47/57/43/575475743.db2.gz NPVFPINRFOTTPU-GWCFXTLKSA-N 1 0 251.326 1.604 20 10 CDCDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979152 576068503 /nfs/dbraw/zinc/06/85/03/576068503.db2.gz IXVMSUIKINEGAO-CYBMUJFWSA-N 1 0 296.436 1.810 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000766467203 576104563 /nfs/dbraw/zinc/10/45/63/576104563.db2.gz GJDNMDHAONTLLF-AWEZNQCLSA-N 1 0 265.309 1.204 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(CO)CC1 ZINC000768240701 576266672 /nfs/dbraw/zinc/26/66/72/576266672.db2.gz CXEZCXCHDKRHAN-UHFFFAOYSA-N 1 0 251.326 1.605 20 10 CDCDRO C[N@H+](CCOCC1CC1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462622 576286347 /nfs/dbraw/zinc/28/63/47/576286347.db2.gz AOTGTMJUKFQYRI-HNNXBMFYSA-N 1 0 293.363 1.676 20 10 CDCDRO C[C@@H]1C[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C ZINC000768466179 576288055 /nfs/dbraw/zinc/28/80/55/576288055.db2.gz NNJQNTMWYVGSAQ-RULNRJAQSA-N 1 0 263.337 1.906 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1C ZINC000762784854 576671323 /nfs/dbraw/zinc/67/13/23/576671323.db2.gz ALRURKXCGZFVJB-XJKSGUPXSA-N 1 0 278.396 1.726 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]CC2(CO)COC2)c2c1c(F)ccc2O ZINC000756759868 577003181 /nfs/dbraw/zinc/00/31/81/577003181.db2.gz NCGIJUCAVGRDFD-KOLCDFICSA-N 1 0 281.327 1.678 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)COC2)c(O)c1C ZINC000756761694 577003192 /nfs/dbraw/zinc/00/31/92/577003192.db2.gz RBOZBLPJVGAJKX-LBPRGKRZSA-N 1 0 265.353 1.669 20 10 CDCDRO CCOc1ccc(C[NH2+][C@]2(CO)CCOC2)c(O)c1 ZINC000757978684 577064960 /nfs/dbraw/zinc/06/49/60/577064960.db2.gz PKZDURYJPJZDHE-AWEZNQCLSA-N 1 0 267.325 1.032 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000820419153 598161643 /nfs/dbraw/zinc/16/16/43/598161643.db2.gz MWGJFGIHCRJJMY-OAHLLOKOSA-N 1 0 291.395 1.391 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C(C)(C)[NH3+])ccc21 ZINC000169810953 620697455 /nfs/dbraw/zinc/69/74/55/620697455.db2.gz IPGCTELNDJCOJT-UHFFFAOYSA-N 1 0 261.369 1.423 20 10 CDCDRO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccccc1O ZINC000036331692 617354410 /nfs/dbraw/zinc/35/44/10/617354410.db2.gz ICFSTTJWXVXBOY-JTQLQIEISA-N 1 0 269.366 1.620 20 10 CDCDRO O=C(N[C@H]1CCC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC000892081100 617468496 /nfs/dbraw/zinc/46/84/96/617468496.db2.gz FGADPXHYVYTXTO-LBPRGKRZSA-N 1 0 275.352 1.560 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1O ZINC000892097861 617480315 /nfs/dbraw/zinc/48/03/15/617480315.db2.gz SRTNHQPRVBWKAO-TUAOUCFPSA-N 1 0 277.368 1.893 20 10 CDCDRO CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC000984205821 615094864 /nfs/dbraw/zinc/09/48/64/615094864.db2.gz CXBVEIXLIGSRQU-UMSPYCQHSA-N 1 0 293.367 1.217 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000840921487 617728485 /nfs/dbraw/zinc/72/84/85/617728485.db2.gz TXHPFRYEJTZEJB-CQSZACIVSA-N 1 0 261.369 1.381 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(CF)CF)cc2)CC1 ZINC000824554876 618580679 /nfs/dbraw/zinc/58/06/79/618580679.db2.gz OXMSTBNSNMSDTG-UHFFFAOYSA-N 1 0 283.366 1.836 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2(CCO)CCOCC2)c1O ZINC000894137389 618614678 /nfs/dbraw/zinc/61/46/78/618614678.db2.gz OTYLQQCZWHFEOK-UHFFFAOYSA-N 1 0 295.379 1.730 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2CCOCC2)c1O ZINC000894195897 618686460 /nfs/dbraw/zinc/68/64/60/618686460.db2.gz ONECDUQPCXELLT-UHFFFAOYSA-N 1 0 251.326 1.978 20 10 CDCDRO COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1(F)F ZINC000894213674 618729041 /nfs/dbraw/zinc/72/90/41/618729041.db2.gz PKACJZJUKLUENS-AAEUAGOBSA-N 1 0 297.301 1.765 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894361156 618820763 /nfs/dbraw/zinc/82/07/63/618820763.db2.gz DVSOGGSIKIQWLD-OLZOCXBDSA-N 1 0 292.379 1.714 20 10 CDCDRO COC(=O)c1c(C[NH2+]CCO)c2cc(F)ccc2n1C ZINC000894383388 618840231 /nfs/dbraw/zinc/84/02/31/618840231.db2.gz HYTOYXWELXFDFV-UHFFFAOYSA-N 1 0 280.299 1.186 20 10 CDCDRO c1cc2c(cc1C[NH2+]CCN1CCCOCC1)CCCO2 ZINC000894472312 618901113 /nfs/dbraw/zinc/90/11/13/618901113.db2.gz SRFBGOBGXMZVIT-UHFFFAOYSA-N 1 0 290.407 1.824 20 10 CDCDRO COc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c(O)c1OC ZINC000894491359 618916901 /nfs/dbraw/zinc/91/69/01/618916901.db2.gz GRNJLPJPGUXZPY-JTQLQIEISA-N 1 0 294.351 1.120 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCOC2)c(O)c1OC ZINC000894521672 618936267 /nfs/dbraw/zinc/93/62/67/618936267.db2.gz YZKKTERDACWVHA-NSHDSACASA-N 1 0 267.325 1.678 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000894527245 618941318 /nfs/dbraw/zinc/94/13/18/618941318.db2.gz VRDNNPNVOIOMKZ-UHFFFAOYSA-N 1 0 297.420 1.924 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000894542836 618952958 /nfs/dbraw/zinc/95/29/58/618952958.db2.gz PJLWRBLDCYDPFF-UHFFFAOYSA-N 1 0 284.743 1.976 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCO1 ZINC000894593712 618985441 /nfs/dbraw/zinc/98/54/41/618985441.db2.gz ATSRGEYXRKVFAJ-KGLIPLIRSA-N 1 0 295.379 1.993 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1O ZINC000894595319 618986409 /nfs/dbraw/zinc/98/64/09/618986409.db2.gz OHMJOLYWGLUMEX-IAQYHMDHSA-N 1 0 281.352 1.339 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCOCC1)c1ccccc1O ZINC000019954243 619401666 /nfs/dbraw/zinc/40/16/66/619401666.db2.gz RHRAXIMDNFYHMP-GFCCVEGCSA-N 1 0 250.342 1.375 20 10 CDCDRO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(C)cc1O ZINC000794815410 619442400 /nfs/dbraw/zinc/44/24/00/619442400.db2.gz KKNJLSHHRQGPBH-ZFWWWQNUSA-N 1 0 265.353 1.893 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1F ZINC000895332194 619578280 /nfs/dbraw/zinc/57/82/80/619578280.db2.gz SFXVSDQDHRJMHX-WFASDCNBSA-N 1 0 282.359 1.209 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c(O)c1OC ZINC000895515600 619705578 /nfs/dbraw/zinc/70/55/78/619705578.db2.gz WPIQZJWFKBEPMB-AAEUAGOBSA-N 1 0 295.379 1.860 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1cc(OC)ccc1O ZINC000896713665 620210453 /nfs/dbraw/zinc/21/04/53/620210453.db2.gz ZGDXNCHPPOJIGL-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO C[NH2+]CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758206 621011594 /nfs/dbraw/zinc/01/15/94/621011594.db2.gz FZMZYLSHNNKLDG-UHFFFAOYSA-N 1 0 276.384 1.088 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897684689 621073611 /nfs/dbraw/zinc/07/36/11/621073611.db2.gz VEXIDDYYVOLFPN-YGRLFVJLSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cccc(C[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000898205143 621361858 /nfs/dbraw/zinc/36/18/58/621361858.db2.gz AEKRXQAIZCHBED-GFCCVEGCSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@H](NCC1([NH3+])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902417726 624780828 /nfs/dbraw/zinc/78/08/28/624780828.db2.gz ZJJLTHQKKUFLAF-LBPRGKRZSA-N 1 0 293.386 1.804 20 10 CDCDRO CC[C@@H]([NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841073418 624972890 /nfs/dbraw/zinc/97/28/90/624972890.db2.gz WYDABHJARWYIDV-CYBMUJFWSA-N 1 0 281.375 1.489 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905289426 626741979 /nfs/dbraw/zinc/74/19/79/626741979.db2.gz IBCDIKBPVKWUHR-GFCCVEGCSA-N 1 0 279.340 1.388 20 10 CDCDRO CN(C)c1ccc([C@@H](C[NH2+]CC2(O)CCC2)N(C)C)cc1 ZINC000905704273 626932813 /nfs/dbraw/zinc/93/28/13/626932813.db2.gz MRTQMQUDKFEFGP-MRXNPFEDSA-N 1 0 291.439 1.860 20 10 CDCDRO C[C@@H](O)[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969632 632180859 /nfs/dbraw/zinc/18/08/59/632180859.db2.gz OZRNCOJOXIQBNR-MLGOLLRUSA-N 1 0 291.347 1.729 20 10 CDCDRO C[C@@H](O)[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969633 632181285 /nfs/dbraw/zinc/18/12/85/632181285.db2.gz OZRNCOJOXIQBNR-WBMJQRKESA-N 1 0 291.347 1.729 20 10 CDCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000037187861 1165762038 /nfs/dbraw/zinc/76/20/38/1165762038.db2.gz NYFWQRIZAHLLIL-CQSZACIVSA-N 1 0 294.420 1.564 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000876652574 1165886876 /nfs/dbraw/zinc/88/68/76/1165886876.db2.gz PYNGGXNCEIUKNV-KGLIPLIRSA-N 1 0 274.364 1.944 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C2CC2)C2C[NH2+]C2)c1O ZINC001575033608 1171089975 /nfs/dbraw/zinc/08/99/75/1171089975.db2.gz TVFYAPHNQRKCFL-UHFFFAOYSA-N 1 0 278.327 1.670 20 10 CDCDRO C[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)c2cccc(F)c2O1 ZINC001576762130 1171510102 /nfs/dbraw/zinc/51/01/02/1171510102.db2.gz IBYCQNCLYOQFTJ-ONGXEEELSA-N 1 0 276.311 1.987 20 10 CDCDRO CCC[NH+]1CCN(Cc2ccc(OC)cc2O)CC1 ZINC000131699712 1175785746 /nfs/dbraw/zinc/78/57/46/1175785746.db2.gz OMGQSXYGBFZRAZ-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO CCCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753901848 1185387682 /nfs/dbraw/zinc/38/76/82/1185387682.db2.gz DVUPELBQGPEXNK-CQSZACIVSA-N 1 0 294.395 1.370 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000877558334 742848404 /nfs/dbraw/zinc/84/84/04/742848404.db2.gz DEZSDBNMHJHPFE-LBPRGKRZSA-N 1 0 278.352 1.973 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000702638383 742870904 /nfs/dbraw/zinc/87/09/04/742870904.db2.gz YGSQJPZWHCTZDJ-IUODEOHRSA-N 1 0 264.369 1.418 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1[NH3+] ZINC000843120832 742882483 /nfs/dbraw/zinc/88/24/83/742882483.db2.gz WHXSPRPFQFADJY-IUODEOHRSA-N 1 0 293.386 1.441 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC000391596501 742899911 /nfs/dbraw/zinc/89/99/11/742899911.db2.gz HXCVRRXEUFZOMT-CYBMUJFWSA-N 1 0 261.369 1.463 20 10 CDCDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000092015396 743017255 /nfs/dbraw/zinc/01/72/55/743017255.db2.gz KFGALFHUAWPHFN-HNNXBMFYSA-N 1 0 293.363 1.447 20 10 CDCDRO CC[NH2+]CCCNC(=O)N(C)Cc1ccccc1O ZINC000841918135 743159110 /nfs/dbraw/zinc/15/91/10/743159110.db2.gz SMWBSMKDFKWQKU-UHFFFAOYSA-N 1 0 265.357 1.533 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000846146299 743161443 /nfs/dbraw/zinc/16/14/43/743161443.db2.gz RHRINUFMGALMMO-XCBNKYQSSA-N 1 0 279.258 1.975 20 10 CDCDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000844187073 743197944 /nfs/dbraw/zinc/19/79/44/743197944.db2.gz COFAEUBDAWTFQL-LBPRGKRZSA-N 1 0 261.369 1.269 20 10 CDCDRO CCc1cccc(C[NH2+]CCCn2cc(CO)nn2)c1O ZINC000848912269 743326688 /nfs/dbraw/zinc/32/66/88/743326688.db2.gz CWQVHAOWDVGJQY-UHFFFAOYSA-N 1 0 290.367 1.218 20 10 CDCDRO Cc1ccncc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273782 743343082 /nfs/dbraw/zinc/34/30/82/743343082.db2.gz QEARLKHMQALLKZ-INIZCTEOSA-N 1 0 298.390 1.886 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC000271190839 743381889 /nfs/dbraw/zinc/38/18/89/743381889.db2.gz PCYYVIPWMGJLRQ-UHFFFAOYSA-N 1 0 290.363 1.503 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@]2(CO)CCOC2)c1 ZINC000862427006 743397709 /nfs/dbraw/zinc/39/77/09/743397709.db2.gz SJRNAVWZSPPDFQ-AWEZNQCLSA-N 1 0 251.326 1.284 20 10 CDCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000131738874 743398902 /nfs/dbraw/zinc/39/89/02/743398902.db2.gz PXXBROUGJFTQJL-SECBINFHSA-N 1 0 289.784 1.712 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1ccccc1O ZINC000879648764 743448610 /nfs/dbraw/zinc/44/86/10/743448610.db2.gz CSQOIHCSMPWWDU-MGPQQGTHSA-N 1 0 295.379 1.599 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000841965944 743458119 /nfs/dbraw/zinc/45/81/19/743458119.db2.gz MBPSOFUHVJBYQR-HNNXBMFYSA-N 1 0 290.411 1.631 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccccc1O ZINC000183565677 745011209 /nfs/dbraw/zinc/01/12/09/745011209.db2.gz ISSFAFQMLVUMDI-WDEREUQCSA-N 1 0 271.382 1.866 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1F ZINC000870875426 745035305 /nfs/dbraw/zinc/03/53/05/745035305.db2.gz CAOKTYWDLSAEDW-UHFFFAOYSA-N 1 0 293.386 1.898 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)ccc1N(C)C ZINC000815101182 745225617 /nfs/dbraw/zinc/22/56/17/745225617.db2.gz PQIWKEVBVOMYGM-ZBFHGGJFSA-N 1 0 278.396 1.236 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000824708927 745390772 /nfs/dbraw/zinc/39/07/72/745390772.db2.gz LJIZBGPVLVVOQP-HZMBPMFUSA-N 1 0 269.316 1.672 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@@H]2C[NH3+])cc1OC ZINC000843054032 745401607 /nfs/dbraw/zinc/40/16/07/745401607.db2.gz BLMDRVFBVVXWJR-LLVKDONJSA-N 1 0 266.341 1.333 20 10 CDCDRO C[C@@H](Cc1cnccn1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940015 745475804 /nfs/dbraw/zinc/47/58/04/745475804.db2.gz DUUHLBDKADPAPU-GUYCJALGSA-N 1 0 299.422 1.763 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)OC)c1O ZINC000858588604 745484474 /nfs/dbraw/zinc/48/44/74/745484474.db2.gz KHRXAUDGMDJSGW-NXEZZACHSA-N 1 0 282.340 1.460 20 10 CDCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000850417793 745494214 /nfs/dbraw/zinc/49/42/14/745494214.db2.gz LRPSSZGEGFRMAK-CTYIDZIISA-N 1 0 262.353 1.136 20 10 CDCDRO Nc1ccc(CCNC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870937220 745513484 /nfs/dbraw/zinc/51/34/84/745513484.db2.gz WWMSUGAGVRMXET-UHFFFAOYSA-N 1 0 261.369 1.317 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841987314 745635558 /nfs/dbraw/zinc/63/55/58/745635558.db2.gz MDWWZVLROJEONX-GFCCVEGCSA-N 1 0 290.411 1.774 20 10 CDCDRO C[N@@H+]1CCCN(CCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000827580228 745654481 /nfs/dbraw/zinc/65/44/81/745654481.db2.gz RSYVLNANERVTIO-UHFFFAOYSA-N 1 0 297.424 1.211 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000858586838 745660111 /nfs/dbraw/zinc/66/01/11/745660111.db2.gz LELOATDKSJEIFK-VXGBXAGGSA-N 1 0 279.384 1.812 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c(O)c1 ZINC000876654645 745672948 /nfs/dbraw/zinc/67/29/48/745672948.db2.gz LFLFIMKQDZVOSM-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000884222830 745746271 /nfs/dbraw/zinc/74/62/71/745746271.db2.gz BNLGNUCANMPYCF-CQSZACIVSA-N 1 0 279.384 1.041 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000877036005 745816156 /nfs/dbraw/zinc/81/61/56/745816156.db2.gz LZOFQIXKZXJNAI-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO CCCN1CC[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000850394935 745889728 /nfs/dbraw/zinc/88/97/28/745889728.db2.gz JGVMVWQDOWTMGK-LBPRGKRZSA-N 1 0 264.369 1.975 20 10 CDCDRO O=C1CC2(CN1)CC[NH+](Cc1ccccc1O)CC2 ZINC000272336287 745891859 /nfs/dbraw/zinc/89/18/59/745891859.db2.gz XKUATZCYBQLSSR-UHFFFAOYSA-N 1 0 260.337 1.494 20 10 CDCDRO CCOc1ccc(C[N@H+](C)C2(CO)CCOCC2)c(O)c1 ZINC000827907595 745905268 /nfs/dbraw/zinc/90/52/68/745905268.db2.gz CRELXTZWYDYASN-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(O)c2O)C[C@H]1C ZINC000790910800 745939310 /nfs/dbraw/zinc/93/93/10/745939310.db2.gz BQLAHBMHUYSQHY-MNOVXSKESA-N 1 0 278.352 1.653 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000827812937 746004981 /nfs/dbraw/zinc/00/49/81/746004981.db2.gz ZZYYAXPREFCFGK-HOMQSWHASA-N 1 0 265.309 1.442 20 10 CDCDRO C[NH2+]CCC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748490 746015264 /nfs/dbraw/zinc/01/52/64/746015264.db2.gz DIHDETDMSBMOBW-CYBMUJFWSA-N 1 0 291.395 1.247 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)OCCO ZINC000877536286 746223630 /nfs/dbraw/zinc/22/36/30/746223630.db2.gz YTHDFWKDGZHDNW-UHFFFAOYSA-N 1 0 253.342 1.578 20 10 CDCDRO COc1cc(O)c(CNC[C@H]2CCC[NH2+]2)cc1OC ZINC000841035800 746257213 /nfs/dbraw/zinc/25/72/13/746257213.db2.gz MOMUCUUDEIGDSE-LLVKDONJSA-N 1 0 266.341 1.251 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCO3)CC1)[C@H](O)CO2 ZINC000799957443 746344722 /nfs/dbraw/zinc/34/47/22/746344722.db2.gz OSVNHZRCKFZHBU-CQSZACIVSA-N 1 0 291.347 1.573 20 10 CDCDRO CSC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997182 746388099 /nfs/dbraw/zinc/38/80/99/746388099.db2.gz UKWJYNXYZWQURY-GFCCVEGCSA-N 1 0 253.367 1.435 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000817982328 746673080 /nfs/dbraw/zinc/67/30/80/746673080.db2.gz CFRUJTMRIBTRSQ-CVEARBPZSA-N 1 0 277.412 1.782 20 10 CDCDRO CCCN1C[C@H](C[NH2+]Cc2c(O)cccc2OC)CC1=O ZINC000817410941 746679894 /nfs/dbraw/zinc/67/98/94/746679894.db2.gz KGRVIMGWMNUQST-LBPRGKRZSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1C ZINC000840962925 746727411 /nfs/dbraw/zinc/72/74/11/746727411.db2.gz OFAIIKXXJPZSNS-GJZGRUSLSA-N 1 0 279.380 1.881 20 10 CDCDRO Cc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)c(O)c1O ZINC000855416248 746743689 /nfs/dbraw/zinc/74/36/89/746743689.db2.gz UVZKJAYFHOHJEB-SNVBAGLBSA-N 1 0 266.341 1.476 20 10 CDCDRO C[NH2+][C@@H](CC(C)C)C(=O)N(C)Cc1ccccc1O ZINC000884092060 746785788 /nfs/dbraw/zinc/78/57/88/746785788.db2.gz RKGAGJOIUAXMND-ZDUSSCGKSA-N 1 0 264.369 1.985 20 10 CDCDRO COc1cc(O)c(C[NH2+]Cc2cc(C)ncn2)cc1OC ZINC000776254562 746807474 /nfs/dbraw/zinc/80/74/74/746807474.db2.gz ZSSUUKSTTJXJOI-UHFFFAOYSA-N 1 0 289.335 1.798 20 10 CDCDRO CC(C)(C[NH3+])Cn1cc(COc2ccc(N)cc2)nn1 ZINC000864631802 746810692 /nfs/dbraw/zinc/81/06/92/746810692.db2.gz YTDZEIITIKFKEK-UHFFFAOYSA-N 1 0 275.356 1.424 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000839636672 746826894 /nfs/dbraw/zinc/82/68/94/746826894.db2.gz TZNSCCVKUTWYLY-CQSZACIVSA-N 1 0 275.396 1.663 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2COCC[C@H]2O)ccc1OC ZINC000865750620 746829849 /nfs/dbraw/zinc/82/98/49/746829849.db2.gz TVZJBSFVRZSIMU-HUUCEWRRSA-N 1 0 295.379 1.471 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C[NH3+])c1 ZINC000841981579 746860840 /nfs/dbraw/zinc/86/08/40/746860840.db2.gz AXPOVMVRPFMUEA-DTWKUNHWSA-N 1 0 267.329 1.108 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(C)cc1O ZINC000840802356 746863093 /nfs/dbraw/zinc/86/30/93/746863093.db2.gz IBZQLQGRAWXZJK-OCCSQVGLSA-N 1 0 290.367 1.394 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c(O)c1 ZINC000850342925 746881848 /nfs/dbraw/zinc/88/18/48/746881848.db2.gz OSQVEKZSECHEAP-WFASDCNBSA-N 1 0 281.352 1.542 20 10 CDCDRO COc1cccc(CNC(=O)NCC2([NH3+])CCCC2)c1O ZINC000851671830 746886250 /nfs/dbraw/zinc/88/62/50/746886250.db2.gz VBZDIAXUFFXDTG-UHFFFAOYSA-N 1 0 293.367 1.472 20 10 CDCDRO CCN(C)c1ccc(C[NH2+]C2(C(N)=O)CCOCC2)cc1 ZINC000852493565 746887849 /nfs/dbraw/zinc/88/78/49/746887849.db2.gz QBMBZKGIZZMWPW-UHFFFAOYSA-N 1 0 291.395 1.267 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846158293 746892110 /nfs/dbraw/zinc/89/21/10/746892110.db2.gz WKNHJPMYWTZJKU-RTXFEEFZSA-N 1 0 292.379 1.966 20 10 CDCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877424335 746893104 /nfs/dbraw/zinc/89/31/04/746893104.db2.gz JAWMVDVEXPXNBG-ZBFHGGJFSA-N 1 0 295.379 1.611 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC(O)(C[NH3+])CC2)c1O ZINC000842480673 747013697 /nfs/dbraw/zinc/01/36/97/747013697.db2.gz YZXUACAABAHANB-UHFFFAOYSA-N 1 0 296.342 1.020 20 10 CDCDRO C[NH2+]CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841937463 747038094 /nfs/dbraw/zinc/03/80/94/747038094.db2.gz YDXDEJMBTHYUCD-UHFFFAOYSA-N 1 0 264.373 1.113 20 10 CDCDRO OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000037169229 747137608 /nfs/dbraw/zinc/13/76/08/747137608.db2.gz GDROMLQMCLXMPO-AWEZNQCLSA-N 1 0 287.363 1.748 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882401 747199508 /nfs/dbraw/zinc/19/95/08/747199508.db2.gz YNEFGHQLTUSXRH-GXTWGEPZSA-N 1 0 290.411 1.865 20 10 CDCDRO [NH3+][C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000841832754 747242258 /nfs/dbraw/zinc/24/22/58/747242258.db2.gz RXCQBPVYAIDEEZ-CQSZACIVSA-N 1 0 286.379 1.305 20 10 CDCDRO CN(CCS(C)(=O)=O)Cc1cc(Cl)ccc1O ZINC000156085894 747317754 /nfs/dbraw/zinc/31/77/54/747317754.db2.gz WDTXJVITFOKUPD-UHFFFAOYSA-N 1 0 277.773 1.522 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817419015 747438704 /nfs/dbraw/zinc/43/87/04/747438704.db2.gz OCVHIMKUYDOBKF-VIFPVBQESA-N 1 0 293.758 1.527 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CO)c(C(F)(F)F)c1 ZINC000793170659 747484107 /nfs/dbraw/zinc/48/41/07/747484107.db2.gz TXEZBNHALSZRJK-NSHDSACASA-N 1 0 292.301 1.214 20 10 CDCDRO Cn1nnc2cc(C[NH2+]CCc3ccc(N)cc3)ccc21 ZINC000841036579 747611786 /nfs/dbraw/zinc/61/17/86/747611786.db2.gz WHTSZCUHFIXOJN-UHFFFAOYSA-N 1 0 281.363 1.883 20 10 CDCDRO Cc1ccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c(O)c1O ZINC000890075490 747648410 /nfs/dbraw/zinc/64/84/10/747648410.db2.gz IANRTEJQMFPHRZ-UHFFFAOYSA-N 1 0 292.379 1.868 20 10 CDCDRO CCc1cccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1O ZINC000827125629 747811009 /nfs/dbraw/zinc/81/10/09/747811009.db2.gz NDBWFOHBROOOLF-INIZCTEOSA-N 1 0 290.407 1.861 20 10 CDCDRO CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1O ZINC000775413245 747844803 /nfs/dbraw/zinc/84/48/03/747844803.db2.gz ZEUUXDXDQVOTSG-ZFWWWQNUSA-N 1 0 278.396 1.890 20 10 CDCDRO C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000843044582 747849631 /nfs/dbraw/zinc/84/96/31/747849631.db2.gz KFKWFMBMHIUXHU-LBPRGKRZSA-N 1 0 264.369 1.832 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccccc1O ZINC000870988165 747867246 /nfs/dbraw/zinc/86/72/46/747867246.db2.gz HFICICNWDBDHCD-PVXIVEMSSA-N 1 0 274.364 1.959 20 10 CDCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000842226939 747967664 /nfs/dbraw/zinc/96/76/64/747967664.db2.gz QTEBDWVJZMMORQ-KGLIPLIRSA-N 1 0 265.353 1.233 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000841955926 748032245 /nfs/dbraw/zinc/03/22/45/748032245.db2.gz RMTPCQUSULSNKK-KBPBESRZSA-N 1 0 276.384 1.380 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000054076425 748059136 /nfs/dbraw/zinc/05/91/36/748059136.db2.gz XNMFFOYYVJZTQW-ZDUSSCGKSA-N 1 0 291.395 1.090 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000841655222 748062528 /nfs/dbraw/zinc/06/25/28/748062528.db2.gz QWLPZMYPBUETSV-ZIAGYGMSSA-N 1 0 290.411 1.679 20 10 CDCDRO COc1ccc(N2CCC[N@H+](Cn3cnnc3)CC2)cc1 ZINC000182572886 748086528 /nfs/dbraw/zinc/08/65/28/748086528.db2.gz ZSAUTSAWXAVBOX-UHFFFAOYSA-N 1 0 287.367 1.457 20 10 CDCDRO C[C@H](O)[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969631 748239279 /nfs/dbraw/zinc/23/92/79/748239279.db2.gz OZRNCOJOXIQBNR-LRDDRELGSA-N 1 0 291.347 1.729 20 10 CDCDRO CC[C@H](CCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000094948830 748255251 /nfs/dbraw/zinc/25/52/51/748255251.db2.gz QUYKXEIJXHYWBL-SNVBAGLBSA-N 1 0 267.325 1.619 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1([NH+](C)C)CC1 ZINC000827956102 748270550 /nfs/dbraw/zinc/27/05/50/748270550.db2.gz OBNTUDUVYKOFIY-UHFFFAOYSA-N 1 0 275.396 1.771 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000230666929 748340408 /nfs/dbraw/zinc/34/04/08/748340408.db2.gz JDFPZTNZJRPTAK-VIFPVBQESA-N 1 0 290.360 1.121 20 10 CDCDRO CN(C)c1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000381306122 748362904 /nfs/dbraw/zinc/36/29/04/748362904.db2.gz OITSLYAJKJYMNF-GMBUGEKQSA-N 1 0 271.408 1.839 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC(=O)O2)c1 ZINC000851900340 748378052 /nfs/dbraw/zinc/37/80/52/748378052.db2.gz SIKPWLDRIYKKER-ONGXEEELSA-N 1 0 265.309 1.757 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000865710883 748380128 /nfs/dbraw/zinc/38/01/28/748380128.db2.gz FWCIWHQEQNQJEQ-CPCISQLKSA-N 1 0 279.258 1.802 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]Cc2cnnn2C)c2c1c(F)ccc2O ZINC000806659927 748471364 /nfs/dbraw/zinc/47/13/64/748471364.db2.gz KCWYHNSPJGKTOE-KCJUWKMLSA-N 1 0 276.315 1.998 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCNC(=O)C2)cc1 ZINC000876905398 748511858 /nfs/dbraw/zinc/51/18/58/748511858.db2.gz GRJKAFVDALQHAR-ZDUSSCGKSA-N 1 0 261.369 1.511 20 10 CDCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000852899995 748545706 /nfs/dbraw/zinc/54/57/06/748545706.db2.gz FVDZHMNZKVUFNJ-XQQFMLRXSA-N 1 0 289.379 1.127 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000858588897 748638348 /nfs/dbraw/zinc/63/83/48/748638348.db2.gz UEKJBDGYIDANIV-KOLCDFICSA-N 1 0 264.325 1.377 20 10 CDCDRO CS[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840112511 748803417 /nfs/dbraw/zinc/80/34/17/748803417.db2.gz DFGRXBSKPGWQLY-ZWNOBZJWSA-N 1 0 281.377 1.755 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCCO)CC2)c(OC)c1 ZINC000879463568 748817058 /nfs/dbraw/zinc/81/70/58/748817058.db2.gz ISFSTYKIRWNPCF-UHFFFAOYSA-N 1 0 294.395 1.598 20 10 CDCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817898883 748867288 /nfs/dbraw/zinc/86/72/88/748867288.db2.gz CCZYDYZHKDEHNO-GXTWGEPZSA-N 1 0 295.402 1.748 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000846166587 748875839 /nfs/dbraw/zinc/87/58/39/748875839.db2.gz AKAORRAZTRXVBF-AVGNSLFASA-N 1 0 295.379 1.696 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1O ZINC000824707937 748906130 /nfs/dbraw/zinc/90/61/30/748906130.db2.gz BSVDOEPSPAEGPS-FZMZJTMJSA-N 1 0 281.352 1.542 20 10 CDCDRO NC(=O)c1c[nH+]ccc1NCc1c(O)ccc2c1CCCC2 ZINC000811808434 748961765 /nfs/dbraw/zinc/96/17/65/748961765.db2.gz JEMJXKLJDLFQCZ-UHFFFAOYSA-N 1 0 297.358 1.799 20 10 CDCDRO C[NH2+]C[C@@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000853249573 748982290 /nfs/dbraw/zinc/98/22/90/748982290.db2.gz RJYHVZJJPLJQQJ-CYBMUJFWSA-N 1 0 277.412 1.862 20 10 CDCDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000134700983 748986593 /nfs/dbraw/zinc/98/65/93/748986593.db2.gz GLLVPRUAWYMUFK-INIZCTEOSA-N 1 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1.943 20 10 CDCDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000238141646 749330498 /nfs/dbraw/zinc/33/04/98/749330498.db2.gz IWEHHXWOSXYOML-UHFFFAOYSA-N 1 0 294.370 1.667 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]Cc2cnnn2C)c2c1c(F)ccc2O ZINC000806659928 749333285 /nfs/dbraw/zinc/33/32/85/749333285.db2.gz KCWYHNSPJGKTOE-KWQFWETISA-N 1 0 276.315 1.998 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1O ZINC001233483463 912823681 /nfs/dbraw/zinc/82/36/81/912823681.db2.gz ZXUBGDLEJVPWCB-AWEZNQCLSA-N 1 0 265.309 1.416 20 10 CDCDRO CCOc1cccc(C[NH+]2CCN(CCF)CC2)c1O ZINC000402909041 895987848 /nfs/dbraw/zinc/98/78/48/895987848.db2.gz YLFAZOQGUGMNIO-UHFFFAOYSA-N 1 0 282.359 1.878 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(Cl)cc1O)C2 ZINC001235158169 914050535 /nfs/dbraw/zinc/05/05/35/914050535.db2.gz NZXWKWDHHRAQPT-GXFFZTMASA-N 1 0 252.745 1.969 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(OC)c1 ZINC001141032009 899340642 /nfs/dbraw/zinc/34/06/42/899340642.db2.gz PYANDIBRTNSMHE-MNOVXSKESA-N 1 0 281.352 1.755 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@@]1(C)O ZINC001141156366 899822043 /nfs/dbraw/zinc/82/20/43/899822043.db2.gz KUPXNIQOZKLBFP-QMTHXVAHSA-N 1 0 251.326 1.691 20 10 CDCDRO CCC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237465 914548093 /nfs/dbraw/zinc/54/80/93/914548093.db2.gz AUONLPKPKKZXJI-UHFFFAOYSA-N 1 0 291.355 1.969 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001236030364 914592418 /nfs/dbraw/zinc/59/24/18/914592418.db2.gz WLLLTXZMIXYIKB-ZYHUDNBSSA-N 1 0 272.270 1.944 20 10 CDCDRO C[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1F ZINC001236255409 914822130 /nfs/dbraw/zinc/82/21/30/914822130.db2.gz MORSOZMUANIPCI-UHFFFAOYSA-N 1 0 268.332 1.086 20 10 CDCDRO C[N@@H+]1CCC2(CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC001270703502 904965530 /nfs/dbraw/zinc/96/55/30/904965530.db2.gz NSUQMAVNBCXYNS-HWKANZROSA-N 1 0 288.347 1.275 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H]([NH3+])CC(F)(F)C1 ZINC001206139867 910834456 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O=C(NCc1c(O)ccc2c1CCCC2)[C@@]1(F)CC[NH2+]C1 ZINC000830597410 936640146 /nfs/dbraw/zinc/64/01/46/936640146.db2.gz HKPZLLKZFKUQST-MRXNPFEDSA-N 1 0 292.354 1.589 20 10 CDCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140063161 936675617 /nfs/dbraw/zinc/67/56/17/936675617.db2.gz LUSVOVFQMRJQPJ-AWEZNQCLSA-N 1 0 264.300 1.243 20 10 CDCDRO Cc1ccc(C)c(C[N@H+]2CC(=O)N(C)C[C@@H]2C)c1O ZINC001140184272 936684997 /nfs/dbraw/zinc/68/49/97/936684997.db2.gz PYSJCCIUEVABDY-LBPRGKRZSA-N 1 0 262.353 1.672 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)COCC(=O)N3C)c1O ZINC001273049661 921817882 /nfs/dbraw/zinc/81/78/82/921817882.db2.gz ZARLXPWYTVJKQO-UHFFFAOYSA-N 1 0 290.363 1.052 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)N1 ZINC001140464387 936712424 /nfs/dbraw/zinc/71/24/24/936712424.db2.gz NRBNJRAWZCODBM-UHFFFAOYSA-N 1 0 295.770 1.693 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1O ZINC001140462886 936712738 /nfs/dbraw/zinc/71/27/38/936712738.db2.gz NJMPQRJMFGGYBW-PWSUYJOCSA-N 1 0 271.744 1.221 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660449 936736103 /nfs/dbraw/zinc/73/61/03/936736103.db2.gz RXQNJDQWRURXNB-DOMZBBRYSA-N 1 0 294.370 1.617 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)C[C@@H]1OC ZINC001140741755 936748149 /nfs/dbraw/zinc/74/81/49/936748149.db2.gz BNLQAPFAPSHEIM-BETUJISGSA-N 1 0 267.325 1.252 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c1O ZINC001140742787 936748616 /nfs/dbraw/zinc/74/86/16/936748616.db2.gz ZAMQPUVICUSRDK-GWCFXTLKSA-N 1 0 265.353 1.999 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc2c(c1)OCCN2C ZINC001141146448 936820316 /nfs/dbraw/zinc/82/03/16/936820316.db2.gz VVPVEYGFXBYXQH-GJZGRUSLSA-N 1 0 287.407 1.794 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCC[C@H]1O ZINC001141156515 936821677 /nfs/dbraw/zinc/82/16/77/936821677.db2.gz MJHLNUHKCOWRNR-GXFFZTMASA-N 1 0 251.326 1.691 20 10 CDCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140053 936818433 /nfs/dbraw/zinc/81/84/33/936818433.db2.gz HSCJAWYDYMQQCE-OCCSQVGLSA-N 1 0 276.380 1.860 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140438 936818908 /nfs/dbraw/zinc/81/89/08/936818908.db2.gz MDNLLMJXWQKCHQ-DGCLKSJQSA-N 1 0 262.353 1.470 20 10 CDCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160913 936822818 /nfs/dbraw/zinc/82/28/18/936822818.db2.gz JIUCNRQLUKXIPM-LLVKDONJSA-N 1 0 279.336 1.873 20 10 CDCDRO [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001205673383 924326630 /nfs/dbraw/zinc/32/66/30/924326630.db2.gz QCANHRMZQCHRMG-AWEZNQCLSA-N 1 0 268.332 1.207 20 10 CDCDRO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)C[C@H](O)CO ZINC001143105227 937120854 /nfs/dbraw/zinc/12/08/54/937120854.db2.gz NJOGYNVUNLJPMR-LBPRGKRZSA-N 1 0 267.369 1.475 20 10 CDCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000697603375 937284567 /nfs/dbraw/zinc/28/45/67/937284567.db2.gz HVSOZVQCFFEXRG-NEPJUHHUSA-N 1 0 284.425 1.836 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1 ZINC000862427579 929414382 /nfs/dbraw/zinc/41/43/82/929414382.db2.gz BHNQANZFNHYRGU-GFCCVEGCSA-N 1 0 278.352 1.453 20 10 CDCDRO CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134871037 929946461 /nfs/dbraw/zinc/94/64/61/929946461.db2.gz CBONRJBZBZRFAA-GHMZBOCLSA-N 1 0 295.383 1.605 20 10 CDCDRO C[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000691395618 931463803 /nfs/dbraw/zinc/46/38/03/931463803.db2.gz OHGIYGVLZIEORO-SSDOTTSWSA-N 1 0 260.131 1.625 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001144503803 931863940 /nfs/dbraw/zinc/86/39/40/931863940.db2.gz DHVJAILOTJLFPC-LLVKDONJSA-N 1 0 293.241 1.303 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@H](C)C1 ZINC001144520387 931872115 /nfs/dbraw/zinc/87/21/15/931872115.db2.gz OKULQXSFNHZVHD-MWLCHTKSSA-N 1 0 267.325 1.803 20 10 CDCDRO CO[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514640 931877551 /nfs/dbraw/zinc/87/75/51/931877551.db2.gz NBOBZBRMTOJPTP-LLVKDONJSA-N 1 0 267.325 1.804 20 10 CDCDRO CC(C)OC1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515218 931879261 /nfs/dbraw/zinc/87/92/61/931879261.db2.gz IITRSDMYZSMCJC-UHFFFAOYSA-N 1 0 253.298 1.413 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CS(C)(=O)=O)c1O ZINC001119510637 937726966 /nfs/dbraw/zinc/72/69/66/937726966.db2.gz VXOWUEXSNMQBMD-JTQLQIEISA-N 1 0 287.381 1.232 20 10 CDCDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001119930652 937765257 /nfs/dbraw/zinc/76/52/57/937765257.db2.gz BOTBLINKLAKVBV-AWEZNQCLSA-N 1 0 290.407 1.822 20 10 CDCDRO CC(C)CN1CCN(Cc2ccc(N)cc2)[C@@H](C)C1=O ZINC001120268403 937790562 /nfs/dbraw/zinc/79/05/62/937790562.db2.gz DIEYPNPOQINCKX-ZDUSSCGKSA-N 1 0 275.396 1.958 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC001120371071 937796241 /nfs/dbraw/zinc/79/62/41/937796241.db2.gz OOUNCYJAQLNKGS-HUUCEWRRSA-N 1 0 262.353 1.649 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2F)[NH+](C)C)cc1 ZINC001121170463 937859978 /nfs/dbraw/zinc/85/99/78/937859978.db2.gz HIYSSAGVYFAYCK-KKUMJFAQSA-N 1 0 293.386 1.830 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c1O ZINC001206668443 938705715 /nfs/dbraw/zinc/70/57/15/938705715.db2.gz RBXOGSPZWQFTNV-LLVKDONJSA-N 1 0 272.295 1.575 20 10 CDCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001160477789 938790224 /nfs/dbraw/zinc/79/02/24/938790224.db2.gz QKYWKJJQFALHAH-LBPRGKRZSA-N 1 0 294.395 1.877 20 10 CDCDRO O=C(C=C1CC[NH2+]CC1)N1CCc2cccc(O)c2C1 ZINC001160872003 938835252 /nfs/dbraw/zinc/83/52/52/938835252.db2.gz FETZEJFLMLFZRW-UHFFFAOYSA-N 1 0 272.348 1.587 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH2+]C2(CC2)C1 ZINC001161545498 938909770 /nfs/dbraw/zinc/90/97/70/938909770.db2.gz VGQZXJHQZYTVNI-DUXPYHPUSA-N 1 0 274.320 1.075 20 10 CDCDRO COc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1O ZINC001203584356 939694092 /nfs/dbraw/zinc/69/40/92/939694092.db2.gz AAJOLTGTKAAZQF-NEPJUHHUSA-N 1 0 269.316 1.696 20 10 CDCDRO COc1cccc(C[N@H+](C)C2CCN(C(C)=O)CC2)c1O ZINC001203595817 939695711 /nfs/dbraw/zinc/69/57/11/939695711.db2.gz OYUWXYCUTIXKQL-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO COC(=O)C1C[NH+](Cc2ccc(OC)cc2O)C1 ZINC001203621298 939697115 /nfs/dbraw/zinc/69/71/15/939697115.db2.gz RVMYTHQGNHVTPN-UHFFFAOYSA-N 1 0 251.282 1.006 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(CC(=O)CO3)CC2)c1 ZINC001203670728 939700636 /nfs/dbraw/zinc/70/06/36/939700636.db2.gz YENMDQLVJSRPRG-UHFFFAOYSA-N 1 0 291.347 1.725 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203881494 939711661 /nfs/dbraw/zinc/71/16/61/939711661.db2.gz PYBMEVZZGLMHOM-STQMWFEESA-N 1 0 262.353 1.624 20 10 CDCDRO C[N@H+](Cc1ccc(O)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001204275812 939749852 /nfs/dbraw/zinc/74/98/52/939749852.db2.gz BWPRHAUHAJHDBH-HAQNSBGRSA-N 1 0 251.326 1.833 20 10 CDCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(O)cc1O ZINC001204279451 939752027 /nfs/dbraw/zinc/75/20/27/939752027.db2.gz ZFYOXJATWPJEPN-FZMZJTMJSA-N 1 0 262.353 1.624 20 10 CDCDRO Cc1cc(CN2C[C@@H]([NH3+])C[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001204954023 939808210 /nfs/dbraw/zinc/80/82/10/939808210.db2.gz DFEHVMJCHYWVLO-WMZOPIPTSA-N 1 0 299.418 1.988 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001205789064 939936742 /nfs/dbraw/zinc/93/67/42/939936742.db2.gz VFKODUPDUYHLRK-SECBINFHSA-N 1 0 288.294 1.219 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2O)CCC[C@@H]1C[NH3+] ZINC001206014759 939967060 /nfs/dbraw/zinc/96/70/60/939967060.db2.gz XZLIWDOGNDKCFM-DGCLKSJQSA-N 1 0 292.379 1.897 20 10 CDCDRO Oc1cc(O)c(CN2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222248299 941578421 /nfs/dbraw/zinc/57/84/21/941578421.db2.gz KWHOGXQVAHOIMS-OAHLLOKOSA-N 1 0 278.352 1.521 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c1O ZINC001277454796 942615793 /nfs/dbraw/zinc/61/57/93/942615793.db2.gz ZYJNSUPJPPARKX-ABAIWWIYSA-N 1 0 276.336 1.241 20 10 CDCDRO CN1CCC[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565969 942929861 /nfs/dbraw/zinc/92/98/61/942929861.db2.gz FYFCJWGWLZACDP-OCCSQVGLSA-N 1 0 290.363 1.616 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@@H](O)C2)c(O)cc1O ZINC001231634436 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C[C@@]1(O)CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233009793 943460432 /nfs/dbraw/zinc/46/04/32/943460432.db2.gz BBGQLANAULHJLB-CQSZACIVSA-N 1 0 267.325 1.540 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233017737 943466149 /nfs/dbraw/zinc/46/61/49/943466149.db2.gz ZTDZFBGBVAEUSQ-MWLCHTKSSA-N 1 0 295.335 1.434 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCOC3)cc1O ZINC001233482419 943591463 /nfs/dbraw/zinc/59/14/63/943591463.db2.gz MXHWCCYKUKJKPS-UHFFFAOYSA-N 1 0 251.282 1.026 20 10 CDCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483403 943592002 /nfs/dbraw/zinc/59/20/02/943592002.db2.gz YNMQAKKROGFZSQ-CYBMUJFWSA-N 1 0 253.298 1.008 20 10 CDCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233483633 943592080 /nfs/dbraw/zinc/59/20/80/943592080.db2.gz GTKTVKHHOVFLNI-PWSUYJOCSA-N 1 0 278.352 1.187 20 10 CDCDRO Oc1cc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1O ZINC001233486088 943593847 /nfs/dbraw/zinc/59/38/47/943593847.db2.gz 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/nfs/dbraw/zinc/92/98/95/943929895.db2.gz ABLAPUGKJIMWMI-UHFFFAOYSA-N 1 0 292.379 1.580 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235078196 944045624 /nfs/dbraw/zinc/04/56/24/944045624.db2.gz GWYMHEDQCFXGJY-ZIAGYGMSSA-N 1 0 261.369 1.394 20 10 CDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC001235983184 944348085 /nfs/dbraw/zinc/34/80/85/944348085.db2.gz YLPSOXWJGAQCOP-GXFFZTMASA-N 1 0 252.745 1.969 20 10 CDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(F)c(F)cc1O)C2 ZINC001235997025 944365667 /nfs/dbraw/zinc/36/56/67/944365667.db2.gz ZBPWIRNJCZGWGZ-ZANVPECISA-N 1 0 254.280 1.594 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001236171181 944421232 /nfs/dbraw/zinc/42/12/32/944421232.db2.gz OVEKHQCGGJNEHB-CYBMUJFWSA-N 1 0 279.359 1.195 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(C(C)C)cc1O ZINC001236202606 944429796 /nfs/dbraw/zinc/42/97/96/944429796.db2.gz VAJWUEWBDQVCHJ-KBPBESRZSA-N 1 0 292.379 1.590 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(OC)c1 ZINC001236290614 944448957 /nfs/dbraw/zinc/44/89/57/944448957.db2.gz TXBFSAKCCARKTL-ZBFHGGJFSA-N 1 0 289.423 1.945 20 10 CDCDRO C[C@@H]1CN(Cc2c(O)ccc(F)c2F)C[C@H](C)[NH2+]1 ZINC001236577956 944515206 /nfs/dbraw/zinc/51/52/06/944515206.db2.gz CPQLLZMTHBNPFF-DTORHVGOSA-N 1 0 256.296 1.853 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(CO)C2)cc1OC ZINC001236750707 944557516 /nfs/dbraw/zinc/55/75/16/944557516.db2.gz XKLSOXDEQBBPKT-HNNXBMFYSA-N 1 0 281.352 1.614 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cc1OC ZINC001236750961 944558063 /nfs/dbraw/zinc/55/80/63/944558063.db2.gz NQZHRBDMSMKZER-CMPLNLGQSA-N 1 0 285.315 1.314 20 10 CDCDRO COc1cc(C)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c(O)c1 ZINC001236806912 944574485 /nfs/dbraw/zinc/57/44/85/944574485.db2.gz CLAIVUCKNUQXKG-NEPJUHHUSA-N 1 0 283.343 1.862 20 10 CDCDRO NC(=O)[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCO1 ZINC001236832655 944585219 /nfs/dbraw/zinc/58/52/19/944585219.db2.gz 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ZINC001334775356 959350812 /nfs/dbraw/zinc/35/08/12/959350812.db2.gz XPBDCUXKHIBXNO-KBPBESRZSA-N 1 0 264.394 1.975 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC001336844390 960652890 /nfs/dbraw/zinc/65/28/90/960652890.db2.gz GMMVKARBXUKRGN-RISCZKNCSA-N 1 0 288.395 1.693 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001337839904 961463879 /nfs/dbraw/zinc/46/38/79/961463879.db2.gz ADFJLISVSDLNNQ-BETUJISGSA-N 1 0 276.384 1.289 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C23CC(C2)C[NH2+]3)c1 ZINC001340969542 963214818 /nfs/dbraw/zinc/21/48/18/963214818.db2.gz XHEOFFPRUMHYRV-SBTGLGLWSA-N 1 0 276.336 1.330 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC001352790703 967484346 /nfs/dbraw/zinc/48/43/46/967484346.db2.gz SOWRJEBOXGCZDW-UHFFFAOYSA-N 1 0 256.309 1.323 20 10 CDCDRO [NH3+]C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001574270683 1170935674 /nfs/dbraw/zinc/93/56/74/1170935674.db2.gz OEMWDAXOLFVAIJ-UHFFFAOYSA-N 1 0 292.360 1.876 20 10 CDCDRO CC(C)C[C@H]([NH3+])CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001575644894 1171232713 /nfs/dbraw/zinc/23/27/13/1171232713.db2.gz RVUSHJOBWCPMDK-YPMHNXCESA-N 1 0 294.395 1.909 20 10 CDCDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000217853316 398207502 /nfs/dbraw/zinc/20/75/02/398207502.db2.gz OBGCMILZUYSIGM-CQSZACIVSA-N 1 0 268.426 1.956 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(CO)CO)cc1 ZINC000093502473 342429234 /nfs/dbraw/zinc/42/92/34/342429234.db2.gz KOVGMCMESROCIZ-UHFFFAOYSA-N 1 0 266.385 1.175 20 10 CDCDRO CCC[C@@](C)([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823790 356936584 /nfs/dbraw/zinc/93/65/84/356936584.db2.gz SFJDZNPMASWXEX-CQSZACIVSA-N 1 0 250.342 1.868 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cccc(C)c1O ZINC000180505943 357273525 /nfs/dbraw/zinc/27/35/25/357273525.db2.gz SCFCZHPRXFNONN-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC(=O)N(C)CC)c1 ZINC000185181522 357519517 /nfs/dbraw/zinc/51/95/17/357519517.db2.gz WSAQFQGZCIFSSO-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC)cc1 ZINC000187190936 357739763 /nfs/dbraw/zinc/73/97/63/357739763.db2.gz RIANKRVTAZFWLU-GFCCVEGCSA-N 1 0 299.440 1.343 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1OC ZINC000187985138 357831206 /nfs/dbraw/zinc/83/12/06/357831206.db2.gz PWOBOMTUGHFZMW-JQWIXIFHSA-N 1 0 281.352 1.660 20 10 CDCDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000191958421 358164233 /nfs/dbraw/zinc/16/42/33/358164233.db2.gz DCGHWNDLZBSEBC-OAHLLOKOSA-N 1 0 279.336 1.858 20 10 CDCDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc2c(cc1O)OCO2 ZINC000092438131 358548686 /nfs/dbraw/zinc/54/86/86/358548686.db2.gz CHWZTOJSZCLRBR-UHFFFAOYSA-N 1 0 289.335 1.877 20 10 CDCDRO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000365277259 359238890 /nfs/dbraw/zinc/23/88/90/359238890.db2.gz INIBYCNEEZERTL-UONOGXRCSA-N 1 0 275.348 1.962 20 10 CDCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000038013888 359473510 /nfs/dbraw/zinc/47/35/10/359473510.db2.gz NOSXIRZXYAIUSC-NSHDSACASA-N 1 0 280.368 1.795 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000281567910 363813727 /nfs/dbraw/zinc/81/37/27/363813727.db2.gz KGXRHSIAQCVCIR-MNOVXSKESA-N 1 0 269.341 1.449 20 10 CDCDRO C[C@H]([NH2+]CCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000268698111 364080421 /nfs/dbraw/zinc/08/04/21/364080421.db2.gz DCRRQOYEHOZWNO-LBPRGKRZSA-N 1 0 282.359 1.695 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271076292 364908542 /nfs/dbraw/zinc/90/85/42/364908542.db2.gz HAWVTBXKJQWNRF-SNVBAGLBSA-N 1 0 297.351 1.650 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CCc2noc(C)n2)c1 ZINC000271705309 364994661 /nfs/dbraw/zinc/99/46/61/364994661.db2.gz FEZUYPQDKLWZRF-UHFFFAOYSA-N 1 0 277.324 1.767 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000375236118 370798572 /nfs/dbraw/zinc/79/85/72/370798572.db2.gz DVVIRGZRCXZTRO-AWEZNQCLSA-N 1 0 292.379 1.307 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273619343 365514363 /nfs/dbraw/zinc/51/43/63/365514363.db2.gz YOENXKOAIKXVNM-ONGXEEELSA-N 1 0 292.335 1.060 20 10 CDCDRO CCCOc1ccc(C[N@H+](CC)[C@@H]2CCNC2=O)c(O)c1 ZINC000281640035 367665827 /nfs/dbraw/zinc/66/58/27/367665827.db2.gz AMUHQNJYMWVYNM-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c(O)c1 ZINC000282489957 367910061 /nfs/dbraw/zinc/91/00/61/367910061.db2.gz HQLDOZVVKANRTR-WDEREUQCSA-N 1 0 268.332 1.825 20 10 CDCDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000288427475 369447993 /nfs/dbraw/zinc/44/79/93/369447993.db2.gz BKHBEGIYGXOOIY-GZMMTYOYSA-N 1 0 289.784 1.568 20 10 CDCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294415010 371059705 /nfs/dbraw/zinc/05/97/05/371059705.db2.gz UABMHWDJIQCJLV-QWRGUYRKSA-N 1 0 250.342 1.794 20 10 CDCDRO Nc1ccc(CC(=O)N2CCCC[C@H]2CC[NH3+])cc1 ZINC000294714397 371087015 /nfs/dbraw/zinc/08/70/15/371087015.db2.gz CDNPQXKQHHOUFU-AWEZNQCLSA-N 1 0 261.369 1.541 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000295217169 371154216 /nfs/dbraw/zinc/15/42/16/371154216.db2.gz XVSUYAINPCNVCD-KWQFWETISA-N 1 0 294.326 1.449 20 10 CDCDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000296056980 371407708 /nfs/dbraw/zinc/40/77/08/371407708.db2.gz VQAJCOQDCBAMIJ-AWEZNQCLSA-N 1 0 291.439 1.860 20 10 CDCDRO O=C1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1C1CC1 ZINC000296785696 378747990 /nfs/dbraw/zinc/74/79/90/378747990.db2.gz KWTUHXGNJCPQPS-YPMHNXCESA-N 1 0 272.348 1.732 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000182325798 391232717 /nfs/dbraw/zinc/23/27/17/391232717.db2.gz WZIYGTDQVBVGKC-JTQLQIEISA-N 1 0 267.325 1.060 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(O)c1O ZINC000182583025 391236977 /nfs/dbraw/zinc/23/69/77/391236977.db2.gz DAIWXOMGYKHBBA-MNOVXSKESA-N 1 0 290.363 1.761 20 10 CDCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000125561320 391260192 /nfs/dbraw/zinc/26/01/92/391260192.db2.gz KNYOMDZVZUDCGJ-ZRNGKTOUSA-N 1 0 285.365 1.368 20 10 CDCDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000193496033 391340491 /nfs/dbraw/zinc/34/04/91/391340491.db2.gz HEZFFIGVOXXOGX-CMPLNLGQSA-N 1 0 279.336 1.832 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000367719996 391430594 /nfs/dbraw/zinc/43/05/94/391430594.db2.gz JMAQGPKSPHAOAG-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)ccc1O ZINC000289550435 391616187 /nfs/dbraw/zinc/61/61/87/391616187.db2.gz IMSLIXNICDAQQZ-WFASDCNBSA-N 1 0 294.370 1.826 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCOCC2)cc1OC ZINC000362380616 391722231 /nfs/dbraw/zinc/72/22/31/391722231.db2.gz OLZDSCZCLZNLEJ-UHFFFAOYSA-N 1 0 267.325 1.632 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCNC(=O)C(C)C)c1 ZINC000020125488 171007949 /nfs/dbraw/zinc/00/79/49/171007949.db2.gz FQBKAHOVKJTUJR-UHFFFAOYSA-N 1 0 266.341 1.263 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)C(C)C)c1 ZINC000020125292 171007988 /nfs/dbraw/zinc/00/79/88/171007988.db2.gz LWUNMODWZCAITO-NSHDSACASA-N 1 0 280.368 1.824 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C)c1O ZINC000038088864 174102740 /nfs/dbraw/zinc/10/27/40/174102740.db2.gz BHFOBKBDBYOUMK-LLVKDONJSA-N 1 0 252.358 1.831 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000155029989 261097269 /nfs/dbraw/zinc/09/72/69/261097269.db2.gz PORJMKGNSKHKNS-ZDUSSCGKSA-N 1 0 292.379 1.878 20 10 CDCDRO COc1cc(O)c(C[NH+]2CCSCC2)cc1OC ZINC000158868901 261173185 /nfs/dbraw/zinc/17/31/85/261173185.db2.gz RYUURODHDLIKIB-UHFFFAOYSA-N 1 0 269.366 1.958 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000186177519 262082674 /nfs/dbraw/zinc/08/26/74/262082674.db2.gz QZFPMJNHPZFZAQ-ZANVPECISA-N 1 0 271.744 1.848 20 10 CDCDRO CCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282843037 276001311 /nfs/dbraw/zinc/00/13/11/276001311.db2.gz CVHUWZBHUIGSIX-GFCCVEGCSA-N 1 0 294.326 1.501 20 10 CDCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000193696429 278372578 /nfs/dbraw/zinc/37/25/78/278372578.db2.gz ZUIVLWCACXULQK-IINYFYTJSA-N 1 0 260.337 1.236 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000271805871 328197382 /nfs/dbraw/zinc/19/73/82/328197382.db2.gz JWAOUXAWSLIFSD-AWEZNQCLSA-N 1 0 264.369 1.511 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c1 ZINC000282690632 328243266 /nfs/dbraw/zinc/24/32/66/328243266.db2.gz KGGVCYHHHXCTJN-WDEREUQCSA-N 1 0 268.332 1.825 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091542441 327102466 /nfs/dbraw/zinc/10/24/66/327102466.db2.gz MOSPQYNYDRDPSU-QWHCGFSZSA-N 1 0 261.369 1.496 20 10 CDCDRO COC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000230672173 329368147 /nfs/dbraw/zinc/36/81/47/329368147.db2.gz IUCYUJBPUAZWJP-KOLCDFICSA-N 1 0 257.305 1.843 20 10 CDCDRO CC(C)[C@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000116349589 329545034 /nfs/dbraw/zinc/54/50/34/329545034.db2.gz ROAMIVGINLILLP-LLVKDONJSA-N 1 0 253.298 1.227 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000230663290 333320123 /nfs/dbraw/zinc/32/01/23/333320123.db2.gz SZIVGHUJBGDCRM-QWRGUYRKSA-N 1 0 269.341 1.449 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000271171186 482832798 /nfs/dbraw/zinc/83/27/98/482832798.db2.gz IVFVUWDOIPTWAF-GFCCVEGCSA-N 1 0 298.408 1.201 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2cccc(C)c2O)C1 ZINC000278772597 521652774 /nfs/dbraw/zinc/65/27/74/521652774.db2.gz UVPKOLINWAKSCN-UHFFFAOYSA-N 1 0 265.353 1.720 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000237335622 522067757 /nfs/dbraw/zinc/06/77/57/522067757.db2.gz RYIPWAGJJDWKTD-LBPRGKRZSA-N 1 0 275.396 1.541 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000134539670 522187369 /nfs/dbraw/zinc/18/73/69/522187369.db2.gz HTTKOWQRUADDDC-AWEZNQCLSA-N 1 0 275.396 1.759 20 10 CDCDRO COC[C@H](C)OC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000278349033 522635063 /nfs/dbraw/zinc/63/50/63/522635063.db2.gz MMYYSWUWWYNZIX-JSGCOSHPSA-N 1 0 283.368 1.236 20 10 CDCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2O)C1 ZINC000278707121 524033538 /nfs/dbraw/zinc/03/35/38/524033538.db2.gz OHUYZHIQRQCOMO-UKRRQHHQSA-N 1 0 295.379 1.238 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/C[NH+](C)C ZINC000266319064 524034168 /nfs/dbraw/zinc/03/41/68/524034168.db2.gz GHJGGAADKRSFIO-AATRIKPKSA-N 1 0 289.379 1.596 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000290570334 524434026 /nfs/dbraw/zinc/43/40/26/524434026.db2.gz TVGBWIKMQLBWOX-LBPRGKRZSA-N 1 0 283.393 1.615 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCN2CC=CCC2)c1 ZINC000279771215 524750536 /nfs/dbraw/zinc/75/05/36/524750536.db2.gz KGWGXLFEYOXGSK-UHFFFAOYSA-N 1 0 262.353 1.752 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000131141618 525918310 /nfs/dbraw/zinc/91/83/10/525918310.db2.gz LILNWZSEKXJRPI-MLCYQJTMSA-N 1 0 271.382 1.600 20 10 CDCDRO COc1cccc(C[NH2+]CN2CCC(=O)CC2)c1O ZINC000289495600 526017302 /nfs/dbraw/zinc/01/73/02/526017302.db2.gz SGQCIIIFSWAVIS-UHFFFAOYSA-N 1 0 264.325 1.113 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261965251 527479967 /nfs/dbraw/zinc/47/99/67/527479967.db2.gz LFDFSWFOKACYBC-GXTWGEPZSA-N 1 0 261.369 1.445 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC[NH+](C)C)c1 ZINC000729041610 574704866 /nfs/dbraw/zinc/70/48/66/574704866.db2.gz VBHOANCPWPAJDM-LLVKDONJSA-N 1 0 295.383 1.713 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccccc2O)CCCOC1 ZINC000770675817 575484873 /nfs/dbraw/zinc/48/48/73/575484873.db2.gz GFNGZNWAKMVMJI-HNNXBMFYSA-N 1 0 279.336 1.594 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000771938471 575639373 /nfs/dbraw/zinc/63/93/73/575639373.db2.gz MAORWIQGENVGOH-CYBMUJFWSA-N 1 0 292.379 1.749 20 10 CDCDRO COCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893166690 617431507 /nfs/dbraw/zinc/43/15/07/617431507.db2.gz DFPRFASYHGWLGS-UHFFFAOYSA-N 1 0 267.325 1.678 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892143888 617505574 /nfs/dbraw/zinc/50/55/74/617505574.db2.gz GZQPGOIXDBRJFW-UWVGGRQHSA-N 1 0 251.330 1.490 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)Cn2ccnc2)c(O)c1OC ZINC000892566820 617508586 /nfs/dbraw/zinc/50/85/86/617508586.db2.gz ODCXCQZMOQTRJJ-LLVKDONJSA-N 1 0 291.351 1.784 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCOC2)c(O)c1OC ZINC000892650612 617561752 /nfs/dbraw/zinc/56/17/52/617561752.db2.gz ZPIJPWLAOBOTMA-NSHDSACASA-N 1 0 281.352 1.926 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1F ZINC000783735997 617610841 /nfs/dbraw/zinc/61/08/41/617610841.db2.gz UWLHGVOXTSRIAR-SWLSCSKDSA-N 1 0 264.344 1.706 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C(C)(C)CCO)c1O ZINC000894263957 618338752 /nfs/dbraw/zinc/33/87/52/618338752.db2.gz BTXMHLXBBMSUOA-UHFFFAOYSA-N 1 0 253.342 1.960 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000894075468 618365342 /nfs/dbraw/zinc/36/53/42/618365342.db2.gz GCWSMMGFFCNMKL-LBPRGKRZSA-N 1 0 292.379 1.797 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CCC[NH3+] ZINC000841825047 618394404 /nfs/dbraw/zinc/39/44/04/618394404.db2.gz XIXPHJYFWLPRTA-CYBMUJFWSA-N 1 0 292.427 1.988 20 10 CDCDRO CONC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894278958 618433538 /nfs/dbraw/zinc/43/35/38/618433538.db2.gz ZRQFEINWTWZBLL-CYBMUJFWSA-N 1 0 280.372 1.216 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnn(C)c2)cc1 ZINC000841040244 618677143 /nfs/dbraw/zinc/67/71/43/618677143.db2.gz JQJLNRWYBHWWEQ-HNNXBMFYSA-N 1 0 273.384 1.276 20 10 CDCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841099275 618682628 /nfs/dbraw/zinc/68/26/28/618682628.db2.gz ODUWSGWPXDGWDX-KRWDZBQOSA-N 1 0 289.423 1.755 20 10 CDCDRO O=C(NCCCSc1nccs1)N[C@@H]1CC[NH2+]C1 ZINC000841856801 618816414 /nfs/dbraw/zinc/81/64/14/618816414.db2.gz KTVDLDKVYLIZGO-SECBINFHSA-N 1 0 286.426 1.286 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1O ZINC000894595318 618986134 /nfs/dbraw/zinc/98/61/34/618986134.db2.gz OHMJOLYWGLUMEX-ABAIWWIYSA-N 1 0 281.352 1.339 20 10 CDCDRO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(O)c1 ZINC000895123556 619317674 /nfs/dbraw/zinc/31/76/74/619317674.db2.gz YMDXJKMWBXPYIQ-QJPTWQEYSA-N 1 0 262.353 1.798 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000895137631 619341712 /nfs/dbraw/zinc/34/17/12/619341712.db2.gz OPNQCRIMJQPYDE-CHWSQXEVSA-N 1 0 281.352 1.291 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1OC ZINC000895781082 619845786 /nfs/dbraw/zinc/84/57/86/619845786.db2.gz AQTDQYFKQBEXJX-UHTWSYAYSA-N 1 0 293.363 1.612 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)c(O)c1OC ZINC000896733151 620216549 /nfs/dbraw/zinc/21/65/49/620216549.db2.gz NQDHMSUACGKVEQ-GXSJLCMTSA-N 1 0 267.325 1.534 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC000897679382 621066626 /nfs/dbraw/zinc/06/66/26/621066626.db2.gz JUAXSUKOIDRTFR-PELKAZGASA-N 1 0 286.169 1.967 20 10 CDCDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000911783037 629500405 /nfs/dbraw/zinc/50/04/05/629500405.db2.gz OYVKMDNEEZLCQI-FZMZJTMJSA-N 1 0 263.385 1.691 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1O ZINC000153901392 631940492 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OCC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000779202609 751383497 /nfs/dbraw/zinc/38/34/97/751383497.db2.gz QHQUGISGEVBQNV-INIZCTEOSA-N 1 0 290.407 1.870 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000838935106 751428705 /nfs/dbraw/zinc/42/87/05/751428705.db2.gz AMSNMPZFOZCWRK-GXTWGEPZSA-N 1 0 275.396 1.929 20 10 CDCDRO CC[C@H](CO)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000930852560 751515150 /nfs/dbraw/zinc/51/51/50/751515150.db2.gz LIRPWTLOSAAIAN-CYBMUJFWSA-N 1 0 266.385 1.834 20 10 CDCDRO CN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1=O ZINC000704318732 751577115 /nfs/dbraw/zinc/57/71/15/751577115.db2.gz ZEHBYUUCTLSITL-LLVKDONJSA-N 1 0 252.289 1.242 20 10 CDCDRO CC[C@H](CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000931768911 751773779 /nfs/dbraw/zinc/77/37/79/751773779.db2.gz VQLSEHIXKMIXEV-LLVKDONJSA-N 1 0 255.289 1.594 20 10 CDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)[C@@H](C)O ZINC000929294348 751811637 /nfs/dbraw/zinc/81/16/37/751811637.db2.gz CLIXTYOBBYLTTA-CZUORRHYSA-N 1 0 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COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])CC(F)F)c1 ZINC000828666692 749451325 /nfs/dbraw/zinc/45/13/25/749451325.db2.gz HNWOQRLJTUOSCX-GMSGAONNSA-N 1 0 288.294 1.561 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000382568219 749452843 /nfs/dbraw/zinc/45/28/43/749452843.db2.gz OXWZXBQWGHHBON-FZMZJTMJSA-N 1 0 251.326 1.367 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815619235 749516383 /nfs/dbraw/zinc/51/63/83/749516383.db2.gz HHJSGJQEYCEDRI-LLVKDONJSA-N 1 0 286.397 1.209 20 10 CDCDRO CC[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC000841955717 749569114 /nfs/dbraw/zinc/56/91/14/749569114.db2.gz LBDHSKVIEGYWGQ-UKRRQHHQSA-N 1 0 290.411 1.580 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2cc(C)c(C)cc2O)CC1=O ZINC000846092318 749618851 /nfs/dbraw/zinc/61/88/51/749618851.db2.gz CDLSPFILDHOIEA-CYBMUJFWSA-N 1 0 276.380 1.967 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843047339 749652993 /nfs/dbraw/zinc/65/29/93/749652993.db2.gz RIMDHGRYTJVTHE-AWEZNQCLSA-N 1 0 261.369 1.056 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)ccc1N(C)C ZINC000839665046 749833356 /nfs/dbraw/zinc/83/33/56/749833356.db2.gz GLJSIWJQFKWVFX-GDBMZVCRSA-N 1 0 278.396 1.236 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1 ZINC000815616390 749894616 /nfs/dbraw/zinc/89/46/16/749894616.db2.gz NKRUKDFDMAXOQX-CZUORRHYSA-N 1 0 278.396 1.726 20 10 CDCDRO CC[NH2+]CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841934745 750014958 /nfs/dbraw/zinc/01/49/58/750014958.db2.gz JHMZDAYQQXVORU-UHFFFAOYSA-N 1 0 278.400 1.504 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(O)c1 ZINC000877424960 750035566 /nfs/dbraw/zinc/03/55/66/750035566.db2.gz UVGSQTXVZDWINL-ZDUSSCGKSA-N 1 0 258.325 1.739 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cc(C(N)=O)cs2)c1O ZINC000809739242 750086056 /nfs/dbraw/zinc/08/60/56/750086056.db2.gz BZJMNXOBQNJXHH-UHFFFAOYSA-N 1 0 292.360 1.851 20 10 CDCDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988587 750120927 /nfs/dbraw/zinc/12/09/27/750120927.db2.gz UEVWDSFQUIPSFY-PWSUYJOCSA-N 1 0 250.342 1.943 20 10 CDCDRO COc1c(O)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843049208 750141237 /nfs/dbraw/zinc/14/12/37/750141237.db2.gz JMDMXOCAVYBGGN-UWVGGRQHSA-N 1 0 295.339 1.491 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825803629 750166238 /nfs/dbraw/zinc/16/62/38/750166238.db2.gz CZVOFDZNVVYNFF-SNVBAGLBSA-N 1 0 259.733 1.451 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852870209 750337046 /nfs/dbraw/zinc/33/70/46/750337046.db2.gz BQQQJSIUTUIQMW-CABCVRRESA-N 1 0 291.395 1.041 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCOC3)cc2)CC1 ZINC000850406110 750339072 /nfs/dbraw/zinc/33/90/72/750339072.db2.gz SFJJXUPBQZZRGU-AWEZNQCLSA-N 1 0 276.380 1.526 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000841855309 750341936 /nfs/dbraw/zinc/34/19/36/750341936.db2.gz DHSBEEKQDSMZTH-GJZGRUSLSA-N 1 0 287.407 1.659 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091136862 750388308 /nfs/dbraw/zinc/38/83/08/750388308.db2.gz AZKZYSMPCGFCFY-LBPRGKRZSA-N 1 0 280.393 1.446 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)N(C)C)cc1Cl ZINC000825429924 750411045 /nfs/dbraw/zinc/41/10/45/750411045.db2.gz QUXHIGOHKKJLEI-SECBINFHSA-N 1 0 270.760 1.920 20 10 CDCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c(C)cccc1O ZINC000877563331 750486626 /nfs/dbraw/zinc/48/66/26/750486626.db2.gz JNUSBHMXKXWREA-DOMZBBRYSA-N 1 0 265.353 1.842 20 10 CDCDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc(N)cc2)cn1 ZINC000166601639 750537311 /nfs/dbraw/zinc/53/73/11/750537311.db2.gz VSBWAWLIXXQKHP-UHFFFAOYSA-N 1 0 287.367 1.208 20 10 CDCDRO C[N@H+](Cc1cc(F)ccc1O)C1(CO)CCOCC1 ZINC000827909979 750681354 /nfs/dbraw/zinc/68/13/54/750681354.db2.gz ZZPNIGGFVRCWAR-UHFFFAOYSA-N 1 0 269.316 1.505 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000852632024 750750245 /nfs/dbraw/zinc/75/02/45/750750245.db2.gz OHKXXMNZNFENTA-ZDUSSCGKSA-N 1 0 277.368 1.676 20 10 CDCDRO CCOc1cccc(C[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846109925 750811527 /nfs/dbraw/zinc/81/15/27/750811527.db2.gz KTTDWHRJENSZOA-INIZCTEOSA-N 1 0 295.379 1.812 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832233 750811581 /nfs/dbraw/zinc/81/15/81/750811581.db2.gz LJDOIBHTPVPAGQ-CYBMUJFWSA-N 1 0 288.395 1.599 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1C ZINC000886257498 750815930 /nfs/dbraw/zinc/81/59/30/750815930.db2.gz BOQPPXNMTXIGNV-QDMKHBRRSA-N 1 0 279.380 1.758 20 10 CDCDRO COc1ccc(N2CCC(NC3C[NH2+]C3)CC2)cc1 ZINC000817955010 750825688 /nfs/dbraw/zinc/82/56/88/750825688.db2.gz ONZSHYBYBMDZFY-UHFFFAOYSA-N 1 0 261.369 1.225 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)(C)O ZINC000393965464 750840914 /nfs/dbraw/zinc/84/09/14/750840914.db2.gz NVYXWTNOASTXIJ-QMMMGPOBSA-N 1 0 253.298 1.370 20 10 CDCDRO C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1ccccc1O ZINC000877255700 750847172 /nfs/dbraw/zinc/84/71/72/750847172.db2.gz HNUJMAVEKKLKLK-SECBINFHSA-N 1 0 291.376 1.841 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000827501664 750849576 /nfs/dbraw/zinc/84/95/76/750849576.db2.gz ZZYYAXPREFCFGK-JGZJWPJOSA-N 1 0 265.309 1.442 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)[C@@H]1C ZINC000787421161 750863260 /nfs/dbraw/zinc/86/32/60/750863260.db2.gz OBLBCNGZOHIZPP-ZWNOBZJWSA-N 1 0 279.336 1.784 20 10 CDCDRO Cc1cnc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000832292731 750864233 /nfs/dbraw/zinc/86/42/33/750864233.db2.gz KXLKWNXKDCMLHG-AWEZNQCLSA-N 1 0 299.378 1.281 20 10 CDCDRO C[N@H+](CCC(N)=O)Cc1ccc2ccccc2c1O ZINC000816609207 750871904 /nfs/dbraw/zinc/87/19/04/750871904.db2.gz VIRUYGVALAANRA-UHFFFAOYSA-N 1 0 258.321 1.853 20 10 CDCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nccn1C ZINC000817940285 750877563 /nfs/dbraw/zinc/87/75/63/750877563.db2.gz FPYZGPSRQCZWOD-IUODEOHRSA-N 1 0 287.411 1.837 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000846172956 750883176 /nfs/dbraw/zinc/88/31/76/750883176.db2.gz OEELWYGQZODDGT-GHMZBOCLSA-N 1 0 280.368 1.965 20 10 CDCDRO COc1cc(O)c(CN(C)[C@@H](C)C[NH3+])cc1OC ZINC000843050942 750891339 /nfs/dbraw/zinc/89/13/39/750891339.db2.gz CDYPQFKXRPFAAI-VIFPVBQESA-N 1 0 254.330 1.188 20 10 CDCDRO COc1ccc(O)c(CN[C@@H](CC[NH3+])C(F)F)c1 ZINC000841073591 750894558 /nfs/dbraw/zinc/89/45/58/750894558.db2.gz HEGSKXMHLLKOPZ-JTQLQIEISA-N 1 0 260.284 1.473 20 10 CDCDRO [NH3+]CCCCC(=O)NCCCSc1nccs1 ZINC000829528244 751012366 /nfs/dbraw/zinc/01/23/66/751012366.db2.gz NIGXPGQTQKPBMB-UHFFFAOYSA-N 1 0 273.427 1.871 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000382576614 751059108 /nfs/dbraw/zinc/05/91/08/751059108.db2.gz UGCSOLDHPIGHFM-SMDDNHRTSA-N 1 0 253.342 1.749 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1O ZINC000817365701 751101044 /nfs/dbraw/zinc/10/10/44/751101044.db2.gz NFGCYVNIMVCBSV-CYBMUJFWSA-N 1 0 278.352 1.420 20 10 CDCDRO CCOc1ccc(CN(CCOC)CC[NH+](C)C)c(O)c1 ZINC000809740586 751111065 /nfs/dbraw/zinc/11/10/65/751111065.db2.gz FLFVZCDMQAUISV-UHFFFAOYSA-N 1 0 296.411 1.801 20 10 CDCDRO CC[C@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000111384929 751133747 /nfs/dbraw/zinc/13/37/47/751133747.db2.gz ZAOKHSJWRWUMJK-INIZCTEOSA-N 1 0 296.386 1.913 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000930160585 751175957 /nfs/dbraw/zinc/17/59/57/751175957.db2.gz SCMVVLNQQAIOPP-BBRMVZONSA-N 1 0 276.380 1.336 20 10 CDCDRO C[C@H](CCCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000094942645 751195238 /nfs/dbraw/zinc/19/52/38/751195238.db2.gz URZOJFHVIBYDDD-CQSZACIVSA-N 1 0 278.396 1.774 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1O ZINC000311701299 751195833 /nfs/dbraw/zinc/19/58/33/751195833.db2.gz MAJHWMPXYDRVRI-AAEUAGOBSA-N 1 0 262.353 1.585 20 10 CDCDRO C[C@H](NC1C[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817955396 751211908 /nfs/dbraw/zinc/21/19/08/751211908.db2.gz XPDNCXOQKJYTLX-NSHDSACASA-N 1 0 295.814 1.799 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@H+]2C)c1 ZINC000925432931 751264750 /nfs/dbraw/zinc/26/47/50/751264750.db2.gz ZZSMTTDGEZRHIX-LBPRGKRZSA-N 1 0 263.341 1.204 20 10 CDCDRO CCOC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839130972 751307194 /nfs/dbraw/zinc/30/71/94/751307194.db2.gz JXDSOIGDWJIWCL-UHFFFAOYSA-N 1 0 289.423 1.659 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1=O ZINC000391479535 751312092 /nfs/dbraw/zinc/31/20/92/751312092.db2.gz MXMMDZQTWFLHFR-ZDUSSCGKSA-N 1 0 262.353 1.714 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1 ZINC000839021715 751333892 /nfs/dbraw/zinc/33/38/92/751333892.db2.gz MEPHRHXIEJETJI-UHFFFAOYSA-N 1 0 275.396 1.807 20 10 CDCDRO C[NH2+][C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843048605 752334275 /nfs/dbraw/zinc/33/42/75/752334275.db2.gz JWPYZZWDGSVQNO-INIZCTEOSA-N 1 0 289.423 1.707 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000840938990 752356430 /nfs/dbraw/zinc/35/64/30/752356430.db2.gz IWQCNFKXBAXGQU-INIZCTEOSA-N 1 0 277.412 1.217 20 10 CDCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCc1ccc(N)cc1 ZINC000841956244 752411354 /nfs/dbraw/zinc/41/13/54/752411354.db2.gz ZRXNXTKURQCZIT-HNNXBMFYSA-N 1 0 292.427 1.826 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NC(C)C)c(O)c1 ZINC000877592227 752452065 /nfs/dbraw/zinc/45/20/65/752452065.db2.gz MKKSNBBUSINWFH-LLVKDONJSA-N 1 0 250.342 1.703 20 10 CDCDRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1 ZINC000876995567 752460576 /nfs/dbraw/zinc/46/05/76/752460576.db2.gz GPSCMZPVZWFYFM-ZDUSSCGKSA-N 1 0 260.337 1.380 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000871604271 1165319140 /nfs/dbraw/zinc/31/91/40/1165319140.db2.gz ZOZXMCQQJLLRRT-UHFFFAOYSA-N 1 0 290.411 1.889 20 10 CDCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C)cc1O ZINC000877563764 752697268 /nfs/dbraw/zinc/69/72/68/752697268.db2.gz PHGNIZAYXKGNCA-UKRRQHHQSA-N 1 0 265.353 1.842 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000717766234 752710161 /nfs/dbraw/zinc/71/01/61/752710161.db2.gz BNMMMWAABLMDIS-VIFPVBQESA-N 1 0 279.258 1.804 20 10 CDCDRO CN(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786075 752777922 /nfs/dbraw/zinc/77/79/22/752777922.db2.gz TTYDHCLUZABTDJ-GFCCVEGCSA-N 1 0 250.346 1.024 20 10 CDCDRO CN(C)c1ccc(CNC(=O)c2ncoc2CN)cc1F ZINC000884204871 752810277 /nfs/dbraw/zinc/81/02/77/752810277.db2.gz GPNKVYTXJBQZNF-UHFFFAOYSA-N 1 0 292.314 1.268 20 10 CDCDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000096811405 752827052 /nfs/dbraw/zinc/82/70/52/752827052.db2.gz FXXWMIXXJOAPTM-CYBMUJFWSA-N 1 0 264.369 1.384 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000851655623 752842927 /nfs/dbraw/zinc/84/29/27/752842927.db2.gz XZNVQJJWKNUZSC-NSHDSACASA-N 1 0 264.373 1.160 20 10 CDCDRO COc1c([O-])c(C[N@H+](C)CC2(C)COC2)ccc1[N+](=O)[O-] ZINC000862479678 752853194 /nfs/dbraw/zinc/85/31/94/752853194.db2.gz XKFOSYMUFPMWCS-UHFFFAOYSA-N 1 0 296.323 1.777 20 10 CDCDRO C[N@H+](CC(=O)NCCc1ccc(N)cc1)CC(C)(C)C ZINC000876528733 752875292 /nfs/dbraw/zinc/87/52/92/752875292.db2.gz XJILKYOJPQFBHT-UHFFFAOYSA-N 1 0 277.412 1.905 20 10 CDCDRO CC(C)C[C@H](CN)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841038449 752924868 /nfs/dbraw/zinc/92/48/68/752924868.db2.gz JPEWOLQCJLLWOX-LLVKDONJSA-N 1 0 266.341 1.584 20 10 CDCDRO C[C@H]1C[C@H]([NH2+][C@@H]2COCC[C@H]2O)c2c1c(F)ccc2O ZINC000866498576 753008109 /nfs/dbraw/zinc/00/81/09/753008109.db2.gz ZWPFGXVJYKYULQ-OHBODLIOSA-N 1 0 281.327 1.819 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000843120348 753037220 /nfs/dbraw/zinc/03/72/20/753037220.db2.gz GOLBGCUVESUVOS-ZWNOBZJWSA-N 1 0 250.342 1.570 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000817367266 753090425 /nfs/dbraw/zinc/09/04/25/753090425.db2.gz GFJLZGFRBKNHLZ-ZDUSSCGKSA-N 1 0 285.347 1.651 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(O)cc1C ZINC000776776653 753195939 /nfs/dbraw/zinc/19/59/39/753195939.db2.gz SGJSVHBDUURPNL-ZDUSSCGKSA-N 1 0 288.351 1.748 20 10 CDCDRO COC1(CO)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877481822 753252076 /nfs/dbraw/zinc/25/20/76/753252076.db2.gz UIIPAMRDOZAQSW-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841982958 753254197 /nfs/dbraw/zinc/25/41/97/753254197.db2.gz UQRDXCKLZLGDTK-NSHDSACASA-N 1 0 264.373 1.241 20 10 CDCDRO C[C@H](c1nnnn1C1CC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350650 753300762 /nfs/dbraw/zinc/30/07/62/753300762.db2.gz RZYIJXWZNODYPY-LLVKDONJSA-N 1 0 298.394 1.981 20 10 CDCDRO CC(C)C[C@H](CN)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841038606 753333397 /nfs/dbraw/zinc/33/33/97/753333397.db2.gz LSRZWEYKWCWTJU-MRXNPFEDSA-N 1 0 291.439 1.986 20 10 CDCDRO COCCOCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846144676 753386313 /nfs/dbraw/zinc/38/63/13/753386313.db2.gz MWYYKPYCORFZND-NSHDSACASA-N 1 0 269.341 1.714 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922800081 753563147 /nfs/dbraw/zinc/56/31/47/753563147.db2.gz VAKUKDBDVMVDMD-UHFFFAOYSA-N 1 0 279.336 1.644 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H]1CCNC1=O ZINC000840921486 753764243 /nfs/dbraw/zinc/76/42/43/753764243.db2.gz TXHPFRYEJTZEJB-AWEZNQCLSA-N 1 0 261.369 1.381 20 10 CDCDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(N2CCCC2)cc1 ZINC000190116689 753769088 /nfs/dbraw/zinc/76/90/88/753769088.db2.gz IZFOICUSWGUHGW-HNNXBMFYSA-N 1 0 287.407 1.903 20 10 CDCDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000101934027 753796008 /nfs/dbraw/zinc/79/60/08/753796008.db2.gz LSNJJFCTHMQKMX-UHFFFAOYSA-N 1 0 292.427 1.892 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000226648308 753802429 /nfs/dbraw/zinc/80/24/29/753802429.db2.gz UJUGLNBCKWVWTJ-UHFFFAOYSA-N 1 0 292.788 1.075 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CCCO1 ZINC000883106186 753809923 /nfs/dbraw/zinc/80/99/23/753809923.db2.gz KSTFIWOHHKBVGG-CHWSQXEVSA-N 1 0 287.306 1.954 20 10 CDCDRO CN(CC(C)(C)C[NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000841955534 753810195 /nfs/dbraw/zinc/81/01/95/753810195.db2.gz FZXXRJMHNYUACU-UHFFFAOYSA-N 1 0 278.400 1.438 20 10 CDCDRO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649166 1166391229 /nfs/dbraw/zinc/39/12/29/1166391229.db2.gz NESVDIXMSJOMGR-VXGBXAGGSA-N 1 0 253.342 1.829 20 10 CDCDRO C[C@@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000879649626 1166391317 /nfs/dbraw/zinc/39/13/17/1166391317.db2.gz ZNMHAYLKFDOOPH-VXGBXAGGSA-N 1 0 283.393 1.868 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC000690789868 898311774 /nfs/dbraw/zinc/31/17/74/898311774.db2.gz LHTXTAOMSYGJBF-OLZOCXBDSA-N 1 0 263.337 1.869 20 10 CDCDRO CCc1nn(C)cc1C[NH2+]Cc1cc(OC)ccc1O ZINC000092393859 899847612 /nfs/dbraw/zinc/84/76/12/899847612.db2.gz NBVXWPKMIXUWMT-UHFFFAOYSA-N 1 0 275.352 1.987 20 10 CDCDRO C[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC001269607503 903976240 /nfs/dbraw/zinc/97/62/40/903976240.db2.gz CGJHRDFAIIZPRC-UHFFFAOYSA-N 1 0 290.363 1.656 20 10 CDCDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001270033032 904292807 /nfs/dbraw/zinc/29/28/07/904292807.db2.gz VQTMKPLJHFAHJZ-MRXNPFEDSA-N 1 0 290.363 1.656 20 10 CDCDRO CCOCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172407294 911632484 /nfs/dbraw/zinc/63/24/84/911632484.db2.gz VRJSAKSWHYLOHZ-HZMBPMFUSA-N 1 0 269.341 1.536 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccccc2O)C1 ZINC001181983589 917522252 /nfs/dbraw/zinc/52/22/52/917522252.db2.gz YIJHDSDCBOHFDA-ZDUSSCGKSA-N 1 0 262.353 1.739 20 10 CDCDRO C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCc3cccc(O)c3C2)C1 ZINC001183373059 918481500 /nfs/dbraw/zinc/48/15/00/918481500.db2.gz SUUQVNPLCCETBY-BETUJISGSA-N 1 0 274.364 1.617 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1ccc2c(c1)CCCN2C ZINC001138356103 936525364 /nfs/dbraw/zinc/52/53/64/936525364.db2.gz AMMXGHCAVAMXJB-UHFFFAOYSA-N 1 0 275.396 1.766 20 10 CDCDRO CN1CCCc2cc(CN3CCNC(=O)C3(C)C)ccc21 ZINC001138358106 936526030 /nfs/dbraw/zinc/52/60/30/936526030.db2.gz MKLPDYLHVRPWPW-UHFFFAOYSA-N 1 0 287.407 1.779 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4CCNC(=O)[C@@H]4C3)ccc21 ZINC001138356365 936526174 /nfs/dbraw/zinc/52/61/74/936526174.db2.gz MSGOTAVVEAJLAH-JKSUJKDBSA-N 1 0 299.418 1.637 20 10 CDCDRO COc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c1O ZINC001203585672 919103731 /nfs/dbraw/zinc/10/37/31/919103731.db2.gz ROANJRAWUQCUSZ-WCQYABFASA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c1O ZINC001203585677 919105594 /nfs/dbraw/zinc/10/55/94/919105594.db2.gz ROANJRAWUQCUSZ-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205228718 919215558 /nfs/dbraw/zinc/21/55/58/919215558.db2.gz IHEGKODETMRQGR-CQSZACIVSA-N 1 0 286.322 1.346 20 10 CDCDRO CCCOCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278512 936571843 /nfs/dbraw/zinc/57/18/43/936571843.db2.gz DGTPSJYYUWZAON-AWEZNQCLSA-N 1 0 279.384 1.295 20 10 CDCDRO CC(C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284915 936572176 /nfs/dbraw/zinc/57/21/76/936572176.db2.gz NXNYNACKFUQTQS-CQSZACIVSA-N 1 0 263.385 1.915 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1OC ZINC000827700630 936604374 /nfs/dbraw/zinc/60/43/74/936604374.db2.gz WAQAESVXLMTRCN-BZNIZROVSA-N 1 0 295.379 1.860 20 10 CDCDRO O=C1NCC[C@@]12CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140063528 936675844 /nfs/dbraw/zinc/67/58/44/936675844.db2.gz RCMGFEMMVWHPKP-OAHLLOKOSA-N 1 0 278.327 1.633 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN3CCCO3)cc2)CC1 ZINC001140300800 936699135 /nfs/dbraw/zinc/69/91/35/936699135.db2.gz UOHCGTAMQFDJPJ-UHFFFAOYSA-N 1 0 275.396 1.966 20 10 CDCDRO C[C@]1(CO)C[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1O ZINC001140463209 936712256 /nfs/dbraw/zinc/71/22/56/936712256.db2.gz VXGYURXYUNUCLN-ZIAGYGMSSA-N 1 0 285.771 1.611 20 10 CDCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]21 ZINC001140623966 936732331 /nfs/dbraw/zinc/73/23/31/936732331.db2.gz ZAVHZYZCJDNPHC-NHAGDIPZSA-N 1 0 275.348 1.942 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)C[C@@H]1C ZINC001140750151 936750008 /nfs/dbraw/zinc/75/00/08/936750008.db2.gz WMTIGTYFEFCEAH-CABZTGNLSA-N 1 0 279.336 1.647 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001137831547 922446737 /nfs/dbraw/zinc/44/67/37/922446737.db2.gz DOTPNWCDFQWGFL-UHFFFAOYSA-N 1 0 266.316 1.586 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001140850293 936764203 /nfs/dbraw/zinc/76/42/03/936764203.db2.gz ILOXHXLPNYUAOH-CZUORRHYSA-N 1 0 294.395 1.023 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(Cl)c1 ZINC001140922098 936776387 /nfs/dbraw/zinc/77/63/87/936776387.db2.gz HHAFIDOHZNISGH-DOMZBBRYSA-N 1 0 298.814 1.581 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159826 936822038 /nfs/dbraw/zinc/82/20/38/936822038.db2.gz LWKKSWNGIOJHSP-SNVBAGLBSA-N 1 0 265.309 1.483 20 10 CDCDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)O1 ZINC001141161825 936822781 /nfs/dbraw/zinc/82/27/81/936822781.db2.gz ZHIRVQANGVTLPD-CQSZACIVSA-N 1 0 278.308 1.172 20 10 CDCDRO O=C1NCCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)O1 ZINC001141161224 936823113 /nfs/dbraw/zinc/82/31/13/936823113.db2.gz PKGWJCKCWNYJTE-UHFFFAOYSA-N 1 0 292.335 1.562 20 10 CDCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2cc(O)c(O)cc2O)C1 ZINC001205842193 925439401 /nfs/dbraw/zinc/43/94/01/925439401.db2.gz NBKQPAKPDCQIID-GXSJLCMTSA-N 1 0 266.341 1.363 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC000841990066 937026271 /nfs/dbraw/zinc/02/62/71/937026271.db2.gz XYELTMKXIIZFBK-AAEUAGOBSA-N 1 0 277.368 1.674 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC000841990075 937026471 /nfs/dbraw/zinc/02/64/71/937026471.db2.gz XYELTMKXIIZFBK-YPMHNXCESA-N 1 0 277.368 1.674 20 10 CDCDRO CC[NH2+]CCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841917419 937022776 /nfs/dbraw/zinc/02/27/76/937022776.db2.gz MWIRISRMTWWPTP-LLVKDONJSA-N 1 0 295.383 1.761 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841943555 937024176 /nfs/dbraw/zinc/02/41/76/937024176.db2.gz QHNIDVXKWZVBFR-GFCCVEGCSA-N 1 0 263.341 1.286 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCOC3)cc2)CC1 ZINC000850406111 927426552 /nfs/dbraw/zinc/42/65/52/927426552.db2.gz SFJJXUPBQZZRGU-CQSZACIVSA-N 1 0 276.380 1.526 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001168972433 927596807 /nfs/dbraw/zinc/59/68/07/927596807.db2.gz MWLHKULVJRZCRM-VXGBXAGGSA-N 1 0 280.324 1.675 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N(C)C(C)(C)C[NH3+])cc1F ZINC001170059241 929236781 /nfs/dbraw/zinc/23/67/81/929236781.db2.gz QPDKSMKYXRVQKU-UHFFFAOYSA-N 1 0 271.292 1.916 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)c(O)c1 ZINC000884335313 930527050 /nfs/dbraw/zinc/52/70/50/930527050.db2.gz PDHAQAMWRVERKD-LBPRGKRZSA-N 1 0 278.352 1.263 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C3([NH3+])CC3)C2)cc1 ZINC000818613428 930728429 /nfs/dbraw/zinc/72/84/29/930728429.db2.gz OOGTVCYIKLEVTN-LBPRGKRZSA-N 1 0 289.379 1.129 20 10 CDCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC001116505062 937452580 /nfs/dbraw/zinc/45/25/80/937452580.db2.gz BJXFQCFLHWSQCB-ZDUSSCGKSA-N 1 0 292.379 1.979 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000219686462 930895288 /nfs/dbraw/zinc/89/52/88/930895288.db2.gz WECANQKZFMOLBG-NSHDSACASA-N 1 0 252.333 1.963 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000844405512 931603851 /nfs/dbraw/zinc/60/38/51/931603851.db2.gz POFBCONUQQWYLJ-HUUCEWRRSA-N 1 0 278.396 1.643 20 10 CDCDRO Oc1ccccc1C[NH+]1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001275266953 931718544 /nfs/dbraw/zinc/71/85/44/931718544.db2.gz HBFABMRGKWJWIO-UHFFFAOYSA-N 1 0 284.363 1.576 20 10 CDCDRO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1O)C2 ZINC001275266621 931718998 /nfs/dbraw/zinc/71/89/98/931718998.db2.gz BQYZBRKWRLZBFG-UHFFFAOYSA-N 1 0 289.379 1.628 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)ccc1N(C)C ZINC001275360639 931747417 /nfs/dbraw/zinc/74/74/17/931747417.db2.gz FFUWBTXJHRVXAD-IYBDPMFKSA-N 1 0 289.423 1.576 20 10 CDCDRO CC1(C)C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144500083 931857938 /nfs/dbraw/zinc/85/79/38/931857938.db2.gz OOJYHILYGJTWSP-UHFFFAOYSA-N 1 0 253.298 1.414 20 10 CDCDRO C[N@H+](Cc1ccncc1)Cc1c(O)cc(O)cc1O ZINC001144500609 931860299 /nfs/dbraw/zinc/86/02/99/931860299.db2.gz WRHCNVCQORVUGI-UHFFFAOYSA-N 1 0 260.293 1.830 20 10 CDCDRO Cn1cc2c(n1)CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144508858 931874438 /nfs/dbraw/zinc/87/44/38/931874438.db2.gz BBZSDURXDJDFNU-UHFFFAOYSA-N 1 0 275.308 1.095 20 10 CDCDRO CN(C)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144508996 931874479 /nfs/dbraw/zinc/87/44/79/931874479.db2.gz GTECXHIQSKQZRH-SNVBAGLBSA-N 1 0 266.341 1.329 20 10 CDCDRO C[C@H](CO)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000846056851 931966022 /nfs/dbraw/zinc/96/60/22/931966022.db2.gz BLSWWFDCWBVJRH-LLVKDONJSA-N 1 0 293.363 1.961 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000846146644 931986401 /nfs/dbraw/zinc/98/64/01/931986401.db2.gz RTLRMCAUKUKLPZ-OLZOCXBDSA-N 1 0 293.411 1.297 20 10 CDCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC001275965374 932174674 /nfs/dbraw/zinc/17/46/74/932174674.db2.gz CXDLGXSUUBERIZ-GJZGRUSLSA-N 1 0 276.380 1.524 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(=O)[O-])cc1O ZINC001276008707 932230810 /nfs/dbraw/zinc/23/08/10/932230810.db2.gz AZYGDONQWLSXPQ-AGUYFDCRSA-N 1 0 290.363 1.805 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)[C@@H](C)O ZINC000929753349 933264143 /nfs/dbraw/zinc/26/41/43/933264143.db2.gz NXBPINKQXZBPBB-RISCZKNCSA-N 1 0 253.342 1.346 20 10 CDCDRO COCCO[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000188909887 934448534 /nfs/dbraw/zinc/44/85/34/934448534.db2.gz POEJHGCEALBASG-AWEZNQCLSA-N 1 0 295.379 1.947 20 10 CDCDRO CC[C@]1(O)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000779215567 934478199 /nfs/dbraw/zinc/47/81/99/934478199.db2.gz CIGFKFKRVNQOOU-HNNXBMFYSA-N 1 0 281.352 1.756 20 10 CDCDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC001122264621 937916640 /nfs/dbraw/zinc/91/66/40/937916640.db2.gz TWLHJYZSFZWDSX-SRVKXCTJSA-N 1 0 261.369 1.409 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c1O ZINC001206668445 938705507 /nfs/dbraw/zinc/70/55/07/938705507.db2.gz RBXOGSPZWQFTNV-NSHDSACASA-N 1 0 272.295 1.575 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1O ZINC001203591865 939694754 /nfs/dbraw/zinc/69/47/54/939694754.db2.gz MNOJLSBFOHXZAR-MRXNPFEDSA-N 1 0 290.363 1.503 20 10 CDCDRO CCOc1cccc(C[N@H+]2CCc3nncn3CC2)c1O ZINC001203602874 939696301 /nfs/dbraw/zinc/69/63/01/939696301.db2.gz BAUHRNNFHNIXKH-UHFFFAOYSA-N 1 0 288.351 1.441 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001203669612 939700336 /nfs/dbraw/zinc/70/03/36/939700336.db2.gz GLLALBKMTAESDS-DIOULYMOSA-N 1 0 293.363 1.373 20 10 CDCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)N1 ZINC001203877863 939711114 /nfs/dbraw/zinc/71/11/14/939711114.db2.gz XUONMFTZCZCHJX-MRXNPFEDSA-N 1 0 290.363 1.733 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001203940097 939715097 /nfs/dbraw/zinc/71/50/97/939715097.db2.gz IKLSFSQIDVGAIU-WBVHZDCISA-N 1 0 292.423 1.708 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)c1 ZINC001204276571 939751331 /nfs/dbraw/zinc/75/13/31/939751331.db2.gz NKCWNKAQHHWMSJ-CQSZACIVSA-N 1 0 269.316 1.784 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277744 939751344 /nfs/dbraw/zinc/75/13/44/939751344.db2.gz KIEZTQONVKPOPT-LBPRGKRZSA-N 1 0 264.325 1.150 20 10 CDCDRO CC[N@H+](CCn1cccn1)Cc1ccc(O)cc1O ZINC001204279086 939752058 /nfs/dbraw/zinc/75/20/58/939752058.db2.gz QBHFTQHUZBXKEJ-UHFFFAOYSA-N 1 0 261.325 1.816 20 10 CDCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001204279616 939752814 /nfs/dbraw/zinc/75/28/14/939752814.db2.gz CRCKOXWUXUHXLN-UHFFFAOYSA-N 1 0 286.331 1.799 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)cc(O)c1O ZINC001204341767 939757080 /nfs/dbraw/zinc/75/70/80/939757080.db2.gz GDIHGNXFLZJUSM-ZYHUDNBSSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)C2)cc(O)c1O ZINC001204345140 939758012 /nfs/dbraw/zinc/75/80/12/939758012.db2.gz MKECDWMAFNSKQX-NSHDSACASA-N 1 0 266.341 1.242 20 10 CDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206415386 940034846 /nfs/dbraw/zinc/03/48/46/940034846.db2.gz VWSKZHMSUPVZSF-LSDHHAIUSA-N 1 0 293.386 1.394 20 10 CDCDRO CN1CCCc2cc(CN3C[C@H](F)C[C@H]([NH3+])C3)ccc21 ZINC001206414591 940034930 /nfs/dbraw/zinc/03/49/30/940034930.db2.gz NNGIMMQETKXGSU-CABCVRRESA-N 1 0 277.387 1.940 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000400271318 940845847 /nfs/dbraw/zinc/84/58/47/940845847.db2.gz MSKFPYVCMZZENV-GHMZBOCLSA-N 1 0 284.381 1.077 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000402041761 940887317 /nfs/dbraw/zinc/88/73/17/940887317.db2.gz JBOVQLRSHNDLQV-ZFWWWQNUSA-N 1 0 276.380 1.790 20 10 CDCDRO OC1CCC(Oc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001218368052 941210298 /nfs/dbraw/zinc/21/02/98/941210298.db2.gz BKGNYAMJEFCDGD-UHFFFAOYSA-N 1 0 276.380 1.779 20 10 CDCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cccc(C)c1O)C2 ZINC001231591741 942938653 /nfs/dbraw/zinc/93/86/53/942938653.db2.gz BRZCKPIAAUWRTF-GDBMZVCRSA-N 1 0 277.364 1.795 20 10 CDCDRO COc1cc(CN(C)CCC[NH+](C)C)c(O)cc1O ZINC001231634705 942949221 /nfs/dbraw/zinc/94/92/21/942949221.db2.gz RGTASYGTXOULNU-UHFFFAOYSA-N 1 0 268.357 1.490 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c(O)cc1O ZINC001231634454 942950247 /nfs/dbraw/zinc/95/02/47/942950247.db2.gz NESHRFROKPVBDD-JQWIXIFHSA-N 1 0 281.352 1.699 20 10 CDCDRO Cc1cc(C)c(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c(O)c1 ZINC001231846215 943025466 /nfs/dbraw/zinc/02/54/66/943025466.db2.gz ICVBYCMCJMJDEJ-CYBMUJFWSA-N 1 0 274.364 1.816 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001231842442 943026559 /nfs/dbraw/zinc/02/65/59/943026559.db2.gz MALDYDQPBOIASB-CVEARBPZSA-N 1 0 279.380 1.574 20 10 CDCDRO COCC[N@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231848529 943029442 /nfs/dbraw/zinc/02/94/42/943029442.db2.gz HWPIJBQGVLPYLG-UHFFFAOYSA-N 1 0 252.358 1.839 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c(O)c1 ZINC001232835785 943414309 /nfs/dbraw/zinc/41/43/09/943414309.db2.gz IAUFXGQGRYUXMZ-MRXNPFEDSA-N 1 0 289.379 1.170 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232839835 943415575 /nfs/dbraw/zinc/41/55/75/943415575.db2.gz WZNHPTANGNUASN-UHFFFAOYSA-N 1 0 265.357 1.026 20 10 CDCDRO CN(C)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001232839672 943416208 /nfs/dbraw/zinc/41/62/08/943416208.db2.gz SYSBMQMQQKNSDZ-OAHLLOKOSA-N 1 0 275.396 1.738 20 10 CDCDRO C[C@]1(CF)CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010001 943460536 /nfs/dbraw/zinc/46/05/36/943460536.db2.gz GOCAHXZSIWKMIE-CYBMUJFWSA-N 1 0 255.289 1.985 20 10 CDCDRO CCO[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485249 943591904 /nfs/dbraw/zinc/59/19/04/943591904.db2.gz OEBPXDKVFBDQRQ-LLVKDONJSA-N 1 0 267.325 1.804 20 10 CDCDRO O=c1cc2[nH]cnc(O[C@@H]3C[NH+]4CCC3CC4)c-2cc1O ZINC001233950356 943699137 /nfs/dbraw/zinc/69/91/37/943699137.db2.gz VSWJGWZKFLYEDN-CQSZACIVSA-N 1 0 287.319 1.514 20 10 CDCDRO Cc1cc(CN2C[C@@H]3C[C@]3([NH3+])C2)c(O)cc1Br ZINC001236019250 944377163 /nfs/dbraw/zinc/37/71/63/944377163.db2.gz BXSISZIPFJSQHV-GWCFXTLKSA-N 1 0 297.196 1.996 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001236029615 944383357 /nfs/dbraw/zinc/38/33/57/944383357.db2.gz UILDQSJKVYIEAA-CABZTGNLSA-N 1 0 272.270 1.944 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC001236078282 944401414 /nfs/dbraw/zinc/40/14/14/944401414.db2.gz BAHAFLZVHXLWFA-STQMWFEESA-N 1 0 277.412 1.943 20 10 CDCDRO Oc1c(CN2C[C@H]3C[NH2+]C[C@@H]32)ccc2ccccc21 ZINC001236288835 944447281 /nfs/dbraw/zinc/44/72/81/944447281.db2.gz JCDYEMOEMOPJRJ-HIFRSBDPSA-N 1 0 254.333 1.949 20 10 CDCDRO CC1(C)C=Cc2c(O)c(CN3C[C@@H]4C[NH2+]C[C@H]43)ccc2O1 ZINC001236298542 944456483 /nfs/dbraw/zinc/45/64/83/944456483.db2.gz TWALSSCDXHJQKD-GXTWGEPZSA-N 1 0 286.375 1.980 20 10 CDCDRO [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317250 944467203 /nfs/dbraw/zinc/46/72/03/944467203.db2.gz VAIRDAVHALGTAO-TXEJJXNPSA-N 1 0 264.344 1.963 20 10 CDCDRO COc1cc(O)c(CN2CC([NH+]3CCCC3)C2)cc1OC ZINC001236757098 944561116 /nfs/dbraw/zinc/56/11/16/944561116.db2.gz ZDWIYVUJWMEFQH-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO CCc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC001236784367 944567305 /nfs/dbraw/zinc/56/73/05/944567305.db2.gz VGIGBZZMHOITKD-OAHLLOKOSA-N 1 0 278.396 1.717 20 10 CDCDRO COCCCN(Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001236945599 944620802 /nfs/dbraw/zinc/62/08/02/944620802.db2.gz HNRUYHDYLZZFJD-HNNXBMFYSA-N 1 0 263.385 1.469 20 10 CDCDRO Oc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237379918 944738858 /nfs/dbraw/zinc/73/88/58/944738858.db2.gz DRYBHDUTUNKAKG-OLZOCXBDSA-N 1 0 262.353 1.672 20 10 CDCDRO COc1cc(C[NH+]2CC3(C2)CCOC3)c(O)c(OC)c1 ZINC001237674394 944917500 /nfs/dbraw/zinc/91/75/00/944917500.db2.gz FXYQLPNFBWKOTE-UHFFFAOYSA-N 1 0 279.336 1.632 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@](C)(O)C2)c(O)c(OC)c1 ZINC001237671177 944918753 /nfs/dbraw/zinc/91/87/53/944918753.db2.gz ZNIBSIRDYIPHDB-AWEZNQCLSA-N 1 0 267.325 1.366 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001238057166 945041503 /nfs/dbraw/zinc/04/15/03/945041503.db2.gz JDGGNEUNNLFSLS-NEPJUHHUSA-N 1 0 257.280 1.744 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1cc(F)cc(C)c1O ZINC001238061933 945046506 /nfs/dbraw/zinc/04/65/06/945046506.db2.gz LXKOULVZWNUPQT-UHFFFAOYSA-N 1 0 254.305 1.537 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)OCCO)c(O)c1OC ZINC001262371404 946617993 /nfs/dbraw/zinc/61/79/93/946617993.db2.gz KLBHMTRCLKQFNN-UHFFFAOYSA-N 1 0 299.367 1.287 20 10 CDCDRO Nc1ccc(CNC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC001262587237 946742794 /nfs/dbraw/zinc/74/27/94/946742794.db2.gz XRUNLBGAIJBNGB-UHFFFAOYSA-N 1 0 276.384 1.458 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c1O ZINC001278355890 946943998 /nfs/dbraw/zinc/94/39/98/946943998.db2.gz ZRXPEMJRTDNLOW-GFCCVEGCSA-N 1 0 260.337 1.316 20 10 CDCDRO C[C@H](CC(=O)N1CCOCC1)[N@H+](C)Cc1ccccc1O ZINC001256342501 948279064 /nfs/dbraw/zinc/27/90/64/948279064.db2.gz GPHDZMVLCBADBJ-CYBMUJFWSA-N 1 0 292.379 1.461 20 10 CDCDRO Oc1ccc(CC[NH2+]C[C@H](O)C(F)(F)F)cc1O ZINC001250990794 950531846 /nfs/dbraw/zinc/53/18/46/950531846.db2.gz BUIKAVADCWBCPH-JTQLQIEISA-N 1 0 265.231 1.153 20 10 CDCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1COCCN1 ZINC001329224374 955761732 /nfs/dbraw/zinc/76/17/32/955761732.db2.gz XFEGNUYVBOVFPY-HNNXBMFYSA-N 1 0 275.396 1.365 20 10 CDCDRO CC1(C)CN(CC[NH2+]Cc2ccc(N)cc2)CCO1 ZINC001337838603 956233479 /nfs/dbraw/zinc/23/34/79/956233479.db2.gz QFSLWHLCEFZSJP-UHFFFAOYSA-N 1 0 263.385 1.469 20 10 CDCDRO COC[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335133218 959596741 /nfs/dbraw/zinc/59/67/41/959596741.db2.gz FLWUIGOVFKFZSF-CJNGLKHVSA-N 1 0 279.428 1.980 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001335664441 959961742 /nfs/dbraw/zinc/96/17/42/959961742.db2.gz BZAZWMMKNQMXGB-OAHLLOKOSA-N 1 0 288.395 1.552 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001343280778 963943375 /nfs/dbraw/zinc/94/33/75/963943375.db2.gz RLISDNUYHTUASG-AWEZNQCLSA-N 1 0 295.402 1.438 20 10 CDCDRO Nc1ccc(CC(=O)NCC[C@H]2CSCC[NH2+]2)cc1 ZINC001353948989 968364554 /nfs/dbraw/zinc/36/45/54/968364554.db2.gz OPRQXABVPOCXDY-ZDUSSCGKSA-N 1 0 279.409 1.023 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000775725285 970119873 /nfs/dbraw/zinc/11/98/73/970119873.db2.gz VVRCYTVXARSUAE-AAEUAGOBSA-N 1 0 263.337 1.942 20 10 CDCDRO O=C(NCc1cccc(O)c1O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001521852531 970367535 /nfs/dbraw/zinc/36/75/35/970367535.db2.gz WXYGCXZQSRJSOG-CHWSQXEVSA-N 1 0 290.363 1.731 20 10 CDCDRO C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(C(=O)[O-])ccc1O ZINC001593230754 994365834 /nfs/dbraw/zinc/36/58/34/994365834.db2.gz FOFASISCDHEPPM-SECBINFHSA-N 1 0 264.325 1.493 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000092763732 342418777 /nfs/dbraw/zinc/41/87/77/342418777.db2.gz SIRFXFRDQGYCDL-LLVKDONJSA-N 1 0 251.326 1.605 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC(=O)N1 ZINC000295019072 199303403 /nfs/dbraw/zinc/30/34/03/199303403.db2.gz NBHIRSKMYWSFEO-LLVKDONJSA-N 1 0 270.332 1.866 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000219829037 346232372 /nfs/dbraw/zinc/23/23/72/346232372.db2.gz YNOJTPOEFWEWHQ-SNVBAGLBSA-N 1 0 271.158 1.688 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000179893950 357229834 /nfs/dbraw/zinc/22/98/34/357229834.db2.gz INYSQKPPCPQALE-LBPRGKRZSA-N 1 0 279.336 1.928 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180744177 357286764 /nfs/dbraw/zinc/28/67/64/357286764.db2.gz OGFZDIDLVJVSQH-CFNZNRNTSA-N 1 0 290.363 1.664 20 10 CDCDRO CC[N@H+](CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000181034628 357305977 /nfs/dbraw/zinc/30/59/77/357305977.db2.gz IRJABVNMOJVKPA-XBXARRHUSA-N 1 0 290.363 1.712 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000180189998 357251635 /nfs/dbraw/zinc/25/16/35/357251635.db2.gz IWSYANQPPFCVNO-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCN(C)C(=O)C2)c1O ZINC000191662669 358146217 /nfs/dbraw/zinc/14/62/17/358146217.db2.gz YCLZZTIGWPCLDN-UHFFFAOYSA-N 1 0 264.325 1.065 20 10 CDCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000038013694 359473404 /nfs/dbraw/zinc/47/34/04/359473404.db2.gz KNZKXEWYDJONOK-NSHDSACASA-N 1 0 280.368 1.795 20 10 CDCDRO CCC[C@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000226251607 360363159 /nfs/dbraw/zinc/36/31/59/360363159.db2.gz IDRPDMMCZUCETE-AWEZNQCLSA-N 1 0 267.325 1.762 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000281195087 363744310 /nfs/dbraw/zinc/74/43/10/363744310.db2.gz ISFNXYUNTPIMCT-LLVKDONJSA-N 1 0 289.759 1.541 20 10 CDCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000125483015 360459212 /nfs/dbraw/zinc/45/92/12/360459212.db2.gz WIJUFOKTDKSHKU-SGTLLEGYSA-N 1 0 268.426 1.999 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1O ZINC000112839327 360977063 /nfs/dbraw/zinc/97/70/63/360977063.db2.gz IIECCQHOAXMGTC-ZIAGYGMSSA-N 1 0 292.379 1.354 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269272840 364171277 /nfs/dbraw/zinc/17/12/77/364171277.db2.gz UJKLMLGARXONGB-IAQYHMDHSA-N 1 0 273.380 1.410 20 10 CDCDRO COc1cc(O)c(CN2CC[N@H+](C)CC2(C)C)cc1OC ZINC000271770715 364997854 /nfs/dbraw/zinc/99/78/54/364997854.db2.gz GCMSXBHQDFSQDD-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c(O)c1C ZINC000273612174 365513822 /nfs/dbraw/zinc/51/38/22/365513822.db2.gz WLIINLVSXIQXIO-HUUCEWRRSA-N 1 0 291.439 1.905 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)COC)cc1 ZINC000233452995 367591201 /nfs/dbraw/zinc/59/12/01/367591201.db2.gz YMVLCNPVMZKMNP-AWEZNQCLSA-N 1 0 266.385 1.630 20 10 CDCDRO CCCOc1ccc(C[N@H+](CC)[C@H]2CCNC2=O)c(O)c1 ZINC000281640032 367666182 /nfs/dbraw/zinc/66/61/82/367666182.db2.gz AMUHQNJYMWVYNM-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@@H]2COCCN2)ccc1OC ZINC000530181246 368147290 /nfs/dbraw/zinc/14/72/90/368147290.db2.gz KGOIPGRRHSTPLL-OAHLLOKOSA-N 1 0 294.395 1.310 20 10 CDCDRO C[C@H](O)CN1CC[N@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000284332136 368512576 /nfs/dbraw/zinc/51/25/76/368512576.db2.gz KUHHIEJUGIUWPL-STQMWFEESA-N 1 0 264.369 1.279 20 10 CDCDRO CN(CC[N@H+](C)C1CC1)C(=O)c1c(F)ccc(O)c1O ZINC000294885567 371102175 /nfs/dbraw/zinc/10/21/75/371102175.db2.gz CKFYFQMPUIBHKS-UHFFFAOYSA-N 1 0 282.315 1.403 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000295322675 371216863 /nfs/dbraw/zinc/21/68/63/371216863.db2.gz ZDELAMZRMYKOQI-ZIAGYGMSSA-N 1 0 261.369 1.316 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1cc(C)c(C)cc1O ZINC000121254896 390882855 /nfs/dbraw/zinc/88/28/55/390882855.db2.gz CUOGORPMMQGTAX-UHFFFAOYSA-N 1 0 264.369 1.967 20 10 CDCDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000293949672 390889728 /nfs/dbraw/zinc/88/97/28/390889728.db2.gz SAUZZKQVMDXOOV-HNNXBMFYSA-N 1 0 276.336 1.266 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000113350724 391158715 /nfs/dbraw/zinc/15/87/15/391158715.db2.gz MAUDBLPTMOXMFX-LBPRGKRZSA-N 1 0 284.425 1.665 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]([NH3+])CC(F)F ZINC000345796866 391314688 /nfs/dbraw/zinc/31/46/88/391314688.db2.gz LFRANIFZEGBIMR-JTQLQIEISA-N 1 0 299.321 1.461 20 10 CDCDRO C[C@H](O)C[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000275163774 391344995 /nfs/dbraw/zinc/34/49/95/391344995.db2.gz ZOJAHXVUFZOPRZ-NSHDSACASA-N 1 0 284.787 1.544 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cc1 ZINC000372653396 391860451 /nfs/dbraw/zinc/86/04/51/391860451.db2.gz YELONYYVYNAIFU-OCCSQVGLSA-N 1 0 252.333 1.657 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000154006769 261086742 /nfs/dbraw/zinc/08/67/42/261086742.db2.gz KKJJXYWYUSYOOR-CYBMUJFWSA-N 1 0 292.379 1.631 20 10 CDCDRO CCCOc1ccc(C[NH2+]CC(=O)N(C)CC)c(O)c1 ZINC000185183551 262045151 /nfs/dbraw/zinc/04/51/51/262045151.db2.gz IGAGYXWSIQAYPM-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO COc1ccc(N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)cc1 ZINC000048599670 424261179 /nfs/dbraw/zinc/26/11/79/424261179.db2.gz LATHYBUEQALYDS-GFCCVEGCSA-N 1 0 277.368 1.081 20 10 CDCDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000120432798 279044640 /nfs/dbraw/zinc/04/46/40/279044640.db2.gz UDOKYSWNIAUGOY-BBRMVZONSA-N 1 0 276.380 1.790 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@]2(O)CCOC2)c(O)c1 ZINC000179028402 327798044 /nfs/dbraw/zinc/79/80/44/327798044.db2.gz IFVNAHBKJOBQHB-OAHLLOKOSA-N 1 0 281.352 1.422 20 10 CDCDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000151265387 327547793 /nfs/dbraw/zinc/54/77/93/327547793.db2.gz XEPKBFPRPWRNPL-UHFFFAOYSA-N 1 0 296.714 1.940 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1O ZINC000226608175 329262169 /nfs/dbraw/zinc/26/21/69/329262169.db2.gz XCADCVDNFNTSGM-MRVPVSSYSA-N 1 0 261.318 1.054 20 10 CDCDRO CCN(CC[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000227550813 333285615 /nfs/dbraw/zinc/28/56/15/333285615.db2.gz NUWXLGRLVGUHOR-UHFFFAOYSA-N 1 0 278.352 1.695 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1COCCN1 ZINC000530180628 333527194 /nfs/dbraw/zinc/52/71/94/333527194.db2.gz DMGZCFDWXDDLIM-SECBINFHSA-N 1 0 256.733 1.124 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000102675970 521736702 /nfs/dbraw/zinc/73/67/02/521736702.db2.gz BCGDMROTYCSMBQ-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO COc1c(O)c(C[N@H+]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000278178526 521872138 /nfs/dbraw/zinc/87/21/38/521872138.db2.gz GOQQJHAMVSVVRG-NSHDSACASA-N 1 0 296.323 1.920 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000278286787 521876247 /nfs/dbraw/zinc/87/62/47/521876247.db2.gz ULRWVGWNICREGD-ZDUSSCGKSA-N 1 0 282.296 1.266 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000070810698 522203545 /nfs/dbraw/zinc/20/35/45/522203545.db2.gz BEYBGRDFUBUQOP-GFCCVEGCSA-N 1 0 265.332 1.260 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCc2cnn(C)c2)cc1 ZINC000069786497 522209388 /nfs/dbraw/zinc/20/93/88/522209388.db2.gz GINRXLFTKGVHJE-UHFFFAOYSA-N 1 0 258.369 1.818 20 10 CDCDRO CC[C@@H](CCO)C[NH2+]Cc1cc(OC)ccc1O ZINC000094949757 522507886 /nfs/dbraw/zinc/50/78/86/522507886.db2.gz UCGYDWKDKCSMDJ-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO CC[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(C)cc1O ZINC000280284280 522832766 /nfs/dbraw/zinc/83/27/66/522832766.db2.gz YUDTVDUJROXTIO-GFCCVEGCSA-N 1 0 291.351 1.293 20 10 CDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[NH3+] ZINC000040855898 523263146 /nfs/dbraw/zinc/26/31/46/523263146.db2.gz QAZXUICVRNQGEP-UHFFFAOYSA-N 1 0 261.369 1.594 20 10 CDCDRO COCCN(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000061375654 523610002 /nfs/dbraw/zinc/61/00/02/523610002.db2.gz IWYKDWUTUYAOCU-GFCCVEGCSA-N 1 0 252.358 1.621 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000277215040 523738977 /nfs/dbraw/zinc/73/89/77/523738977.db2.gz KQDXLUVYRRWZGB-GASCZTMLSA-N 1 0 264.369 1.598 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000367719995 524377744 /nfs/dbraw/zinc/37/77/44/524377744.db2.gz JMAQGPKSPHAOAG-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000276784332 524407584 /nfs/dbraw/zinc/40/75/84/524407584.db2.gz JWEYWMKALRUUEB-AWEZNQCLSA-N 1 0 274.364 1.897 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@]2(CCOC2)O1 ZINC000280321982 524636380 /nfs/dbraw/zinc/63/63/80/524636380.db2.gz QKIZMKUOZHDVNU-SWLSCSKDSA-N 1 0 263.337 1.772 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)[N@H+](C)C1CC1 ZINC000188388399 524722782 /nfs/dbraw/zinc/72/27/82/524722782.db2.gz GIMRKYOEJMZKKU-VIFPVBQESA-N 1 0 264.325 1.310 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000364972806 524744839 /nfs/dbraw/zinc/74/48/39/524744839.db2.gz LMVKYLSWDGQPGL-XEGUGMAKSA-N 1 0 290.363 1.487 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292815936 524745088 /nfs/dbraw/zinc/74/50/88/524745088.db2.gz PHTCXEHROAGXBF-JQWIXIFHSA-N 1 0 251.326 1.746 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000277031975 525015165 /nfs/dbraw/zinc/01/51/65/525015165.db2.gz IYBMWSKEYBBIDN-QWHCGFSZSA-N 1 0 291.395 1.123 20 10 CDCDRO CSCC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000040468623 525579422 /nfs/dbraw/zinc/57/94/22/525579422.db2.gz UPLCCINPHSDSOT-NSHDSACASA-N 1 0 268.382 1.431 20 10 CDCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccccc1O)CCO2 ZINC000279748065 525586451 /nfs/dbraw/zinc/58/64/51/525586451.db2.gz YEWJWVWWIXNRNO-SWLSCSKDSA-N 1 0 263.337 1.772 20 10 CDCDRO Cc1c(C[NH2+]Cc2cc3c(cc2O)OCO3)cnn1C ZINC000156617162 525724669 /nfs/dbraw/zinc/72/46/69/525724669.db2.gz IEUJQHKGMLISIR-UHFFFAOYSA-N 1 0 275.308 1.453 20 10 CDCDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000237708654 526259920 /nfs/dbraw/zinc/25/99/20/526259920.db2.gz MVFRIFABZNSRMP-ZDUSSCGKSA-N 1 0 284.363 1.662 20 10 CDCDRO Oc1ccccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000277525419 526371045 /nfs/dbraw/zinc/37/10/45/526371045.db2.gz UBCHEJMKDLJCCV-UHFFFAOYSA-N 1 0 262.353 1.347 20 10 CDCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279659048 526686727 /nfs/dbraw/zinc/68/67/27/526686727.db2.gz CDXBWWPEDUFJRL-LBPRGKRZSA-N 1 0 276.336 1.341 20 10 CDCDRO C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000731115697 575034396 /nfs/dbraw/zinc/03/43/96/575034396.db2.gz GKFFXCSCXNUJBQ-GFCCVEGCSA-N 1 0 277.368 1.533 20 10 CDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000769534716 575357629 /nfs/dbraw/zinc/35/76/29/575357629.db2.gz YSWJQOOXXHPMQO-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000773764127 575838050 /nfs/dbraw/zinc/83/80/50/575838050.db2.gz XNNXGTQEOQBANW-PWSUYJOCSA-N 1 0 278.352 1.097 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000766222115 576087140 /nfs/dbraw/zinc/08/71/40/576087140.db2.gz DKTHMNHXLACUNR-UHFFFAOYSA-N 1 0 296.798 2.000 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2c(O)cccc2OC)C1 ZINC000767736431 576225182 /nfs/dbraw/zinc/22/51/82/576225182.db2.gz FUFNKBKQHNLINM-UHFFFAOYSA-N 1 0 281.352 1.420 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c(O)c1 ZINC000754084832 576878696 /nfs/dbraw/zinc/87/86/96/576878696.db2.gz CWBOXJBUNSQLTH-SNVBAGLBSA-N 1 0 287.381 1.314 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000754741607 576913321 /nfs/dbraw/zinc/91/33/21/576913321.db2.gz LWHPVWQQELOXNQ-LBPRGKRZSA-N 1 0 278.352 1.372 20 10 CDCDRO C[NH+](C)C1CCN(CCNC(=O)C2=CC(=O)CS2)CC1 ZINC000748858311 576929721 /nfs/dbraw/zinc/92/97/21/576929721.db2.gz XVIMGSXQLOSREU-UHFFFAOYSA-N 1 0 297.424 1.210 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1CN(C)CCO1 ZINC000756758606 577003297 /nfs/dbraw/zinc/00/32/97/577003297.db2.gz INGXQHLLDKCYRM-FIXISWKDSA-N 1 0 282.359 1.901 20 10 CDCDRO CN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253418 617391711 /nfs/dbraw/zinc/39/17/11/617391711.db2.gz SJDQLENLNUZNGU-CQSZACIVSA-N 1 0 278.400 1.627 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)OC)c1 ZINC000850479228 617515336 /nfs/dbraw/zinc/51/53/36/617515336.db2.gz NXOJIVAXXNTMRM-SNVBAGLBSA-N 1 0 254.330 1.545 20 10 CDCDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1O ZINC000892167786 617522237 /nfs/dbraw/zinc/52/22/37/617522237.db2.gz GSYFRGCJEWRRAI-RYUDHWBXSA-N 1 0 293.367 1.131 20 10 CDCDRO CC[C@H](C)NC(=[NH2+])NCc1cc(OC)ccc1O ZINC000849009075 617633384 /nfs/dbraw/zinc/63/33/84/617633384.db2.gz YYTFICQBDVTJNL-VIFPVBQESA-N 1 0 251.330 1.813 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CNC(=O)C2)cc1F ZINC000840955885 617778418 /nfs/dbraw/zinc/77/84/18/617778418.db2.gz ZRCUVSXWYSJQDO-ZDUSSCGKSA-N 1 0 293.386 1.898 20 10 CDCDRO C[C@H](NC(=O)NCCC[NH2+]C1CC1)c1ccccc1O ZINC000891967412 617900441 /nfs/dbraw/zinc/90/04/41/617900441.db2.gz BPVWRMQTZHTRRZ-NSHDSACASA-N 1 0 277.368 1.895 20 10 CDCDRO COc1ccc(N2CCC(N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841045220 618678477 /nfs/dbraw/zinc/67/84/77/618678477.db2.gz PMIFJOPQKFJRQJ-CQSZACIVSA-N 1 0 275.396 1.616 20 10 CDCDRO COC[C@@]1(CNCc2ccc(OC)c(C)c2)CCC[NH2+]1 ZINC000841067709 618680565 /nfs/dbraw/zinc/68/05/65/618680565.db2.gz OWMKRNFFWHQFLK-INIZCTEOSA-N 1 0 278.396 1.862 20 10 CDCDRO CN(C)c1ccc(CN[C@H](CC[NH3+])C(F)F)cc1 ZINC000841071949 618681214 /nfs/dbraw/zinc/68/12/14/618681214.db2.gz KGKXGOCZOWBLSM-GFCCVEGCSA-N 1 0 257.328 1.825 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000841100532 618682090 /nfs/dbraw/zinc/68/20/90/618682090.db2.gz HCLNCBUIHSIMGI-CMPLNLGQSA-N 1 0 252.333 1.948 20 10 CDCDRO C[NH2+]CCCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841104431 618683065 /nfs/dbraw/zinc/68/30/65/618683065.db2.gz RMIINOQPJBWRIZ-UHFFFAOYSA-N 1 0 295.402 1.704 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894199922 618688938 /nfs/dbraw/zinc/68/89/38/618688938.db2.gz TZXOYXDJGWHMCU-UHFFFAOYSA-N 1 0 280.368 1.715 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)COCC(C)C)c1O ZINC000894203864 618696844 /nfs/dbraw/zinc/69/68/44/618696844.db2.gz WNNXKCNJWJBGEQ-AWEZNQCLSA-N 1 0 297.395 1.832 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C=C2CCC2)cc1 ZINC000843296866 618701195 /nfs/dbraw/zinc/70/11/95/618701195.db2.gz CJZVGZFGBZKDNQ-HNNXBMFYSA-N 1 0 273.380 1.979 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCSC[C@@H]2CO)c1O ZINC000877780131 618706695 /nfs/dbraw/zinc/70/66/95/618706695.db2.gz KTPMPTRQWNHYSY-LBPRGKRZSA-N 1 0 253.367 1.610 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000894332932 618786459 /nfs/dbraw/zinc/78/64/59/618786459.db2.gz KIMXGOJKSSBMKF-WLRWDXFRSA-N 1 0 285.409 1.956 20 10 CDCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894393160 618848650 /nfs/dbraw/zinc/84/86/50/618848650.db2.gz IAVMMFSDPKOELI-CQSZACIVSA-N 1 0 269.341 1.196 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](CO)C(C)C)c(O)c1OC ZINC000894442946 618888893 /nfs/dbraw/zinc/88/88/93/618888893.db2.gz ATJOFZMVDKPQIG-GFCCVEGCSA-N 1 0 283.368 1.764 20 10 CDCDRO COCC(COC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894735898 619034142 /nfs/dbraw/zinc/03/41/42/619034142.db2.gz QZNVZGURPBMOQA-UHFFFAOYSA-N 1 0 285.340 1.160 20 10 CDCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000895327969 619565093 /nfs/dbraw/zinc/56/50/93/619565093.db2.gz FONAWCWXPPWRDN-GXFFZTMASA-N 1 0 271.744 1.363 20 10 CDCDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000895439267 619667399 /nfs/dbraw/zinc/66/73/99/619667399.db2.gz ZLHBWLSBIVWOKW-CYBMUJFWSA-N 1 0 294.395 1.983 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1O ZINC000897679402 621065929 /nfs/dbraw/zinc/06/59/29/621065929.db2.gz KALAEJQTFKQTFK-UFBFGSQYSA-N 1 0 286.169 1.967 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000035134283 621312586 /nfs/dbraw/zinc/31/25/86/621312586.db2.gz YPXJDYKWGLHDIL-CYBMUJFWSA-N 1 0 291.395 1.137 20 10 CDCDRO COc1ccc(N2CCCN(C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000903442656 625997300 /nfs/dbraw/zinc/99/73/00/625997300.db2.gz WMQZBSYNEFGBIP-OAHLLOKOSA-N 1 0 289.423 1.959 20 10 CDCDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000904461390 626296664 /nfs/dbraw/zinc/29/66/64/626296664.db2.gz IUZLDDBVYLCSEO-CXAGYDPISA-N 1 0 298.342 1.835 20 10 CDCDRO C[C@@H](C(=O)NCc1ccc(O)cc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000910954573 629117252 /nfs/dbraw/zinc/11/72/52/629117252.db2.gz LJBKZVKTGWEICZ-TUAOUCFPSA-N 1 0 292.379 1.975 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1F ZINC000841098021 630550215 /nfs/dbraw/zinc/55/02/15/630550215.db2.gz ABGWGTWNPNVRKP-AWEZNQCLSA-N 1 0 295.402 1.750 20 10 CDCDRO O=C1C[N@H+](Cc2c(O)ccc3ccncc32)CCCN1 ZINC000872825074 1165485263 /nfs/dbraw/zinc/48/52/63/1165485263.db2.gz JXFQATCMAMGCSS-UHFFFAOYSA-N 1 0 271.320 1.262 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2ccc(C)cc2O)CCOCC1 ZINC000877158047 1165986024 /nfs/dbraw/zinc/98/60/24/1165986024.db2.gz ZOHNSWUJPBKURS-UHFFFAOYSA-N 1 0 293.363 1.903 20 10 CDCDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc(O)c1O ZINC000126720236 1175486838 /nfs/dbraw/zinc/48/68/38/1175486838.db2.gz HVAYJPYYEVZZFM-ZDUSSCGKSA-N 1 0 252.314 1.201 20 10 CDCDRO COc1cc(Cl)cc(CN2CCC[C@@H]2C[NH3+])c1O ZINC000229104690 1175769342 /nfs/dbraw/zinc/76/93/42/1175769342.db2.gz YOKDFGYMDKBUCS-LLVKDONJSA-N 1 0 270.760 1.977 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000707493660 754727554 /nfs/dbraw/zinc/72/75/54/754727554.db2.gz OFKCUWOCPSXQHI-KLPPZKSPSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000843046769 755172083 /nfs/dbraw/zinc/17/20/83/755172083.db2.gz ARGAHQPNHDTPHP-NSHDSACASA-N 1 0 251.349 1.685 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(N(C)C)cc1 ZINC000305109978 753839441 /nfs/dbraw/zinc/83/94/41/753839441.db2.gz FKRTVJBWPYNDQB-DOMZBBRYSA-N 1 0 265.401 1.326 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)[C@@H]1OC ZINC000877352251 753857661 /nfs/dbraw/zinc/85/76/61/753857661.db2.gz WRKSJOUPNHCOLK-CFVMTHIKSA-N 1 0 265.353 1.983 20 10 CDCDRO O=C(C[C@H]1CSCC[NH2+]1)NCc1ccccc1O ZINC000228420540 754086106 /nfs/dbraw/zinc/08/61/06/754086106.db2.gz KXYHIHPXADOQNV-NSHDSACASA-N 1 0 266.366 1.104 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000840935876 754153536 /nfs/dbraw/zinc/15/35/36/754153536.db2.gz DIRFJLWZPQIGMD-RHSMWYFYSA-N 1 0 291.439 1.870 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000840940965 754213796 /nfs/dbraw/zinc/21/37/96/754213796.db2.gz KTPAVRCEVXXZTD-MRXNPFEDSA-N 1 0 275.396 1.758 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1C ZINC000840974878 754258563 /nfs/dbraw/zinc/25/85/63/754258563.db2.gz JAGLFJHEMQUCME-KGLIPLIRSA-N 1 0 265.353 1.184 20 10 CDCDRO COc1ccc(O)c(CN(C)[C@@H](C)CS(C)(=O)=O)c1 ZINC000180236477 754285610 /nfs/dbraw/zinc/28/56/10/754285610.db2.gz RXNNUFJUBDNPLY-JTQLQIEISA-N 1 0 287.381 1.266 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000846158244 754298263 /nfs/dbraw/zinc/29/82/63/754298263.db2.gz VOIJFQFCQFHFTB-GWCFXTLKSA-N 1 0 291.351 1.519 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC(C)(C)[NH3+])c1 ZINC000841951128 754352811 /nfs/dbraw/zinc/35/28/11/754352811.db2.gz RKEPVHRDRCVDRE-SECBINFHSA-N 1 0 281.356 1.498 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccccc1O ZINC000868361659 754353264 /nfs/dbraw/zinc/35/32/64/754353264.db2.gz FECWCLQYJINHPD-VXGBXAGGSA-N 1 0 277.368 1.847 20 10 CDCDRO OCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877078411 754362924 /nfs/dbraw/zinc/36/29/24/754362924.db2.gz OWNHUHRXWOVFLS-UHFFFAOYSA-N 1 0 290.407 1.510 20 10 CDCDRO CN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000781976918 754399560 /nfs/dbraw/zinc/39/95/60/754399560.db2.gz XAVRTQFRINFICO-UHFFFAOYSA-N 1 0 277.412 1.517 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCC(C)(C)CO ZINC000824602688 754409396 /nfs/dbraw/zinc/40/93/96/754409396.db2.gz AOYKIODCFODPLJ-UHFFFAOYSA-N 1 0 253.342 1.899 20 10 CDCDRO Nc1ccc(CC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1 ZINC000841849209 754439611 /nfs/dbraw/zinc/43/96/11/754439611.db2.gz BPJJAXDNJLQJFO-CQSZACIVSA-N 1 0 296.374 1.661 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000877036006 754463913 /nfs/dbraw/zinc/46/39/13/754463913.db2.gz LZOFQIXKZXJNAI-NSHDSACASA-N 1 0 264.325 1.159 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C1CCC(O)CC1)OCO2 ZINC000042879212 754503862 /nfs/dbraw/zinc/50/38/62/754503862.db2.gz KAUAAXQCYFMVSW-UHFFFAOYSA-N 1 0 265.309 1.514 20 10 CDCDRO Nc1ccc(CCNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000841924488 754534605 /nfs/dbraw/zinc/53/46/05/754534605.db2.gz ZYMWEVGEVQAHDQ-UHFFFAOYSA-N 1 0 276.384 1.110 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c(O)c1 ZINC000840825329 754569249 /nfs/dbraw/zinc/56/92/49/754569249.db2.gz DWHHFRDGZMTSJF-RYUDHWBXSA-N 1 0 262.353 1.877 20 10 CDCDRO [NH3+]C[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843048733 754669399 /nfs/dbraw/zinc/66/93/99/754669399.db2.gz UXQDTTMFLIQZRX-SECBINFHSA-N 1 0 285.185 1.935 20 10 CDCDRO CC(C)(O)C1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839139718 754688177 /nfs/dbraw/zinc/68/81/77/754688177.db2.gz KFQUTQPVLVEHFY-UHFFFAOYSA-N 1 0 290.407 1.726 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000843488389 754696763 /nfs/dbraw/zinc/69/67/63/754696763.db2.gz XYJKHVMGFXIBSS-YUELXQCFSA-N 1 0 273.380 1.461 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000858602396 754810385 /nfs/dbraw/zinc/81/03/85/754810385.db2.gz YGOPQKISAWKLLZ-OLZOCXBDSA-N 1 0 264.369 1.418 20 10 CDCDRO OC[C@H](CCF)[NH2+]Cc1c(O)cccc1Br ZINC000858184574 754907053 /nfs/dbraw/zinc/90/70/53/754907053.db2.gz SLYFDUWDSZHXMJ-QMMMGPOBSA-N 1 0 292.148 1.965 20 10 CDCDRO COc1cccc(C[NH+]2CCC(NC(C)=O)CC2)c1O ZINC000092669984 754973563 /nfs/dbraw/zinc/97/35/63/754973563.db2.gz PBOSTIGAXQBMBH-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO CCc1cccc(CN2CCNC(=O)C2(C)C)c1O ZINC000848885649 754988739 /nfs/dbraw/zinc/98/87/39/754988739.db2.gz LRIHYHHYFIQYGO-UHFFFAOYSA-N 1 0 262.353 1.665 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000322527529 755007151 /nfs/dbraw/zinc/00/71/51/755007151.db2.gz OJCOQAGTHPIMIP-DTWKUNHWSA-N 1 0 254.305 1.707 20 10 CDCDRO CCC[N@H+](Cc1ccc(C)cc1O)[C@H]1CC(=O)N(C)C1=O ZINC000877503631 755098453 /nfs/dbraw/zinc/09/84/53/755098453.db2.gz RRAPUHNURDWMKT-ZDUSSCGKSA-N 1 0 290.363 1.670 20 10 CDCDRO CC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000802651300 755164055 /nfs/dbraw/zinc/16/40/55/755164055.db2.gz LWQXVXRTCMJWNB-UHFFFAOYSA-N 1 0 259.397 1.890 20 10 CDCDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000817894914 755196455 /nfs/dbraw/zinc/19/64/55/755196455.db2.gz OWCDFCOVHGJGKK-HOTGVXAUSA-N 1 0 275.396 1.493 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]21 ZINC000814173863 755216103 /nfs/dbraw/zinc/21/61/03/755216103.db2.gz ZBUAKIVUKWLDJE-IMRBUKKESA-N 1 0 261.321 1.551 20 10 CDCDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956432 755234314 /nfs/dbraw/zinc/23/43/14/755234314.db2.gz YVAVBCKVGQKSPI-WBMJQRKESA-N 1 0 259.397 1.884 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2OCC)c(O)c1 ZINC000825196597 755240697 /nfs/dbraw/zinc/24/06/97/755240697.db2.gz JVZPYOBMTRQPRG-UKRRQHHQSA-N 1 0 281.352 1.684 20 10 CDCDRO COc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)ccn1 ZINC000060942038 755297926 /nfs/dbraw/zinc/29/79/26/755297926.db2.gz KHSKKJCPOPSRPE-UHFFFAOYSA-N 1 0 288.303 1.814 20 10 CDCDRO CC(C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801560 755331157 /nfs/dbraw/zinc/33/11/57/755331157.db2.gz NZXXGRJLAIDUMZ-UHFFFAOYSA-N 1 0 261.369 1.423 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000172072190 755372398 /nfs/dbraw/zinc/37/23/98/755372398.db2.gz NKQJFWGRAWCSBH-ZDUSSCGKSA-N 1 0 273.760 1.923 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000831132639 755428718 /nfs/dbraw/zinc/42/87/18/755428718.db2.gz FRSHOQCMDHBMNG-QWHCGFSZSA-N 1 0 292.427 1.986 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@H](O)CO)cc1C ZINC000873116841 755460948 /nfs/dbraw/zinc/46/09/48/755460948.db2.gz OEKBFLMZGBDGDW-ZDUSSCGKSA-N 1 0 253.342 1.227 20 10 CDCDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000222184912 755503531 /nfs/dbraw/zinc/50/35/31/755503531.db2.gz YMRQZOXSPGFXQR-LBPRGKRZSA-N 1 0 276.384 1.256 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1F ZINC000846109438 755590592 /nfs/dbraw/zinc/59/05/92/755590592.db2.gz JEJOAZURPWUKHM-INIZCTEOSA-N 1 0 296.386 1.913 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061525 755621576 /nfs/dbraw/zinc/62/15/76/755621576.db2.gz QPMHUMHAYSEAON-GFCCVEGCSA-N 1 0 289.339 1.673 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000877157757 755627069 /nfs/dbraw/zinc/62/70/69/755627069.db2.gz BFHWUVCLHACPDQ-LBPRGKRZSA-N 1 0 260.337 1.554 20 10 CDCDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1c(O)cccc1F ZINC000886511449 755642499 /nfs/dbraw/zinc/64/24/99/755642499.db2.gz UHJDJKYGBABKAU-NWDGAFQWSA-N 1 0 282.359 1.639 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c1O ZINC000848884025 755661405 /nfs/dbraw/zinc/66/14/05/755661405.db2.gz GVTDXGJOTLPSMP-CQSZACIVSA-N 1 0 276.380 1.913 20 10 CDCDRO C[NH2+][C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000843044824 755716017 /nfs/dbraw/zinc/71/60/17/755716017.db2.gz KPAQOUDCTPTKGD-LLVKDONJSA-N 1 0 266.341 1.203 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000851657397 755719337 /nfs/dbraw/zinc/71/93/37/755719337.db2.gz ZRQLKYGVXJXRRG-JTQLQIEISA-N 1 0 282.363 1.299 20 10 CDCDRO C[C@@H]1CN(CC[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000834567226 755736580 /nfs/dbraw/zinc/73/65/80/755736580.db2.gz ZTCFWUZVSKIQEC-TZMCWYRMSA-N 1 0 276.380 1.690 20 10 CDCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1O ZINC000391460577 755846246 /nfs/dbraw/zinc/84/62/46/755846246.db2.gz MWPNUIKFMFZNMO-UHFFFAOYSA-N 1 0 275.345 1.444 20 10 CDCDRO O=C(C[NH2+]CC1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000830597958 755858164 /nfs/dbraw/zinc/85/81/64/755858164.db2.gz WUICQWJGQPOPNI-UHFFFAOYSA-N 1 0 288.391 1.887 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876554519 755869598 /nfs/dbraw/zinc/86/95/98/755869598.db2.gz BUORQJUKAXCNNV-UHFFFAOYSA-N 1 0 262.353 1.659 20 10 CDCDRO CCCN1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000817411054 755869859 /nfs/dbraw/zinc/86/98/59/755869859.db2.gz LXLFTERJVIGNLF-AWEZNQCLSA-N 1 0 288.391 1.970 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](OC)C2CCOCC2)c1O ZINC000877526962 755923750 /nfs/dbraw/zinc/92/37/50/755923750.db2.gz WXJUUWATSHERMS-HNNXBMFYSA-N 1 0 295.379 1.932 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CN(C)CCO1 ZINC000921864082 755949747 /nfs/dbraw/zinc/94/97/47/755949747.db2.gz RTDGQZXSHCHQBU-GUYCJALGSA-N 1 0 290.407 1.820 20 10 CDCDRO COCCOCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134232095 755962469 /nfs/dbraw/zinc/96/24/69/755962469.db2.gz FHSPKJGHERRGML-UHFFFAOYSA-N 1 0 297.351 1.654 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000381947877 756001048 /nfs/dbraw/zinc/00/10/48/756001048.db2.gz ANNGUHRDPUEGJA-PWSUYJOCSA-N 1 0 262.353 1.882 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1ccc(N(C)C)cc1C ZINC000871605974 756041363 /nfs/dbraw/zinc/04/13/63/756041363.db2.gz SWUAGEVWOFYICH-UHFFFAOYSA-N 1 0 278.400 1.664 20 10 CDCDRO C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@H]1C[NH3+] ZINC000843052198 756089044 /nfs/dbraw/zinc/08/90/44/756089044.db2.gz PCFGBJYNQUGFJY-JQWIXIFHSA-N 1 0 278.352 1.680 20 10 CDCDRO CCOc1ccc(CN(C)Cc2cn(C)nn2)c(O)c1 ZINC000827305532 756466747 /nfs/dbraw/zinc/46/67/47/756466747.db2.gz VHANOFWIOHOPOJ-UHFFFAOYSA-N 1 0 276.340 1.551 20 10 CDCDRO C[NH2+][C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843048606 756485303 /nfs/dbraw/zinc/48/53/03/756485303.db2.gz JWPYZZWDGSVQNO-MRXNPFEDSA-N 1 0 289.423 1.707 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC000840956989 756567165 /nfs/dbraw/zinc/56/71/65/756567165.db2.gz CGVKWOGCUICLJE-ZDUSSCGKSA-N 1 0 292.379 1.701 20 10 CDCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ncc[nH]1 ZINC000817941846 756820638 /nfs/dbraw/zinc/82/06/38/756820638.db2.gz LCKYBLWHGQPJNW-RISCZKNCSA-N 1 0 273.384 1.826 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000797415328 756828695 /nfs/dbraw/zinc/82/86/95/756828695.db2.gz UPRGGOAMIBRMRO-INIZCTEOSA-N 1 0 292.379 1.667 20 10 CDCDRO OCC[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000922067390 756847313 /nfs/dbraw/zinc/84/73/13/756847313.db2.gz CSKZXIMTWPGIDO-INIZCTEOSA-N 1 0 277.364 1.643 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c(O)c1 ZINC000817983789 756868497 /nfs/dbraw/zinc/86/84/97/756868497.db2.gz QLJZZUACPGRDIP-NEPJUHHUSA-N 1 0 250.342 1.340 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1[NH3+] ZINC000843120451 756889108 /nfs/dbraw/zinc/88/91/08/756889108.db2.gz KVZGPWYSBNKGJL-ZWNOBZJWSA-N 1 0 251.349 1.671 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850436 756889206 /nfs/dbraw/zinc/88/92/06/756889206.db2.gz UTACRVVLMCVHIJ-VIFPVBQESA-N 1 0 290.392 1.393 20 10 CDCDRO OC[C@@H](CCF)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922221982 756898814 /nfs/dbraw/zinc/89/88/14/756898814.db2.gz MEJFZRNINDLRBP-CYBMUJFWSA-N 1 0 253.317 1.822 20 10 CDCDRO CCNC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785363 756949961 /nfs/dbraw/zinc/94/99/61/756949961.db2.gz LMCNBXHGQXQJBB-GFCCVEGCSA-N 1 0 250.346 1.072 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000877044377 757018287 /nfs/dbraw/zinc/01/82/87/757018287.db2.gz ZZMGXVQSYNUGPE-OAHLLOKOSA-N 1 0 265.353 1.578 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000863545274 757038044 /nfs/dbraw/zinc/03/80/44/757038044.db2.gz NBLKOSULXSDCJB-TZMCWYRMSA-N 1 0 263.385 1.392 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1=CCCOC1 ZINC000853562311 757072085 /nfs/dbraw/zinc/07/20/85/757072085.db2.gz KFQCIOFPTRADTR-OAHLLOKOSA-N 1 0 291.347 1.597 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824533690 757087980 /nfs/dbraw/zinc/08/79/80/757087980.db2.gz KLWZQYKXIYLBDB-HNNXBMFYSA-N 1 0 278.396 1.726 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922076123 757137882 /nfs/dbraw/zinc/13/78/82/757137882.db2.gz NZGODLVWFWLCMX-UHFFFAOYSA-N 1 0 295.404 1.678 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000827827370 757158446 /nfs/dbraw/zinc/15/84/46/757158446.db2.gz SXGFGMZVOVIIBC-MGCOHNPYSA-N 1 0 257.717 1.667 20 10 CDCDRO COc1cc(O)c(CN(C)C[C@H](C)[NH3+])cc1OC ZINC000863651380 757158890 /nfs/dbraw/zinc/15/88/90/757158890.db2.gz HLGJZLRNAFVMJU-VIFPVBQESA-N 1 0 254.330 1.188 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCOC2)cc1 ZINC000832278907 757162391 /nfs/dbraw/zinc/16/23/91/757162391.db2.gz GDORTVISYXGSJU-HIFRSBDPSA-N 1 0 291.395 1.295 20 10 CDCDRO C[NH2+]C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000853248152 757362910 /nfs/dbraw/zinc/36/29/10/757362910.db2.gz CFANRECCCCAQAM-CQSZACIVSA-N 1 0 276.428 1.136 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC(C)(C)[NH3+] ZINC000237056444 757391355 /nfs/dbraw/zinc/39/13/55/757391355.db2.gz BOBLHYZCURODKL-UHFFFAOYSA-N 1 0 263.385 1.805 20 10 CDCDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854229930 757444811 /nfs/dbraw/zinc/44/48/11/757444811.db2.gz APYFEZMBFZHFTF-IAGOWNOFSA-N 1 0 289.423 1.617 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000829764834 757450612 /nfs/dbraw/zinc/45/06/12/757450612.db2.gz YOTBWWUQNSXDCZ-CQSZACIVSA-N 1 0 275.396 1.675 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000828667792 757500327 /nfs/dbraw/zinc/50/03/27/757500327.db2.gz UUTLMYGSVJPIDT-TVQRCGJNSA-N 1 0 266.341 1.561 20 10 CDCDRO Cc1nn(C)c(C)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841035116 757580646 /nfs/dbraw/zinc/58/06/46/757580646.db2.gz FPTKSDXNHAJHEH-UHFFFAOYSA-N 1 0 258.369 1.951 20 10 CDCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922640530 757742525 /nfs/dbraw/zinc/74/25/25/757742525.db2.gz GPXZTHVGDSMYRY-WFASDCNBSA-N 1 0 294.370 1.787 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccccc1O ZINC000877255870 757826178 /nfs/dbraw/zinc/82/61/78/757826178.db2.gz JBTJXIMWSUZDSS-NQBHXWOUSA-N 1 0 262.353 1.958 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000800533348 757835279 /nfs/dbraw/zinc/83/52/79/757835279.db2.gz BCROWLRPGIFZBU-CYBMUJFWSA-N 1 0 283.393 1.791 20 10 CDCDRO COc1cccc(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1O ZINC000831212896 757837342 /nfs/dbraw/zinc/83/73/42/757837342.db2.gz XVUCLDGRKXQTHB-ZJUUUORDSA-N 1 0 281.356 1.326 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)C)c(O)c1 ZINC000840974277 757855260 /nfs/dbraw/zinc/85/52/60/757855260.db2.gz DJAXHIBWKBSIOA-NSHDSACASA-N 1 0 280.368 1.794 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCc1cnccn1)OCO2 ZINC000390237627 757883675 /nfs/dbraw/zinc/88/36/75/757883675.db2.gz UDTIRRDKZQUAEP-UHFFFAOYSA-N 1 0 273.292 1.243 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000237208314 757887022 /nfs/dbraw/zinc/88/70/22/757887022.db2.gz TZNATWWHWYHNJR-BZNIZROVSA-N 1 0 292.379 1.968 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)CO[C@H]2CCOC2)c(O)c1 ZINC000877092866 758009922 /nfs/dbraw/zinc/00/99/22/758009922.db2.gz MEYLTAZDDVSXIK-OCCSQVGLSA-N 1 0 265.353 1.984 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1O ZINC000848565616 758051757 /nfs/dbraw/zinc/05/17/57/758051757.db2.gz YQANBCYRUVYYSU-MNOVXSKESA-N 1 0 272.352 1.729 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cccc(OCC)c1O ZINC000389118056 758056382 /nfs/dbraw/zinc/05/63/82/758056382.db2.gz QXKHMKLVCRQCAK-UHFFFAOYSA-N 1 0 266.341 1.488 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1O ZINC000840975179 758079987 /nfs/dbraw/zinc/07/99/87/758079987.db2.gz MDWWUYHRVGHJKJ-GXFFZTMASA-N 1 0 271.744 1.221 20 10 CDCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000126767173 758350830 /nfs/dbraw/zinc/35/08/30/758350830.db2.gz WQENBSBNMDDIOT-ZDUSSCGKSA-N 1 0 281.377 1.288 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)NCCCSc1nccs1 ZINC000876662686 758360951 /nfs/dbraw/zinc/36/09/51/758360951.db2.gz QIFIJHXICVMDHL-VIFPVBQESA-N 1 0 273.427 1.740 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](OC)C2CCOCC2)c1 ZINC000877034983 758641540 /nfs/dbraw/zinc/64/15/40/758641540.db2.gz AOSHAKNAUVWMDA-MRXNPFEDSA-N 1 0 295.379 1.932 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000841059163 758719125 /nfs/dbraw/zinc/71/91/25/758719125.db2.gz ZZFURLNAFYKLOL-QWRGUYRKSA-N 1 0 295.339 1.669 20 10 CDCDRO COCCCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000397147593 758766105 /nfs/dbraw/zinc/76/61/05/758766105.db2.gz ICFHAXDTAQPUIQ-UHFFFAOYSA-N 1 0 267.325 1.979 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000841655642 758790762 /nfs/dbraw/zinc/79/07/62/758790762.db2.gz SVUTZIZMXLXPRD-MRXNPFEDSA-N 1 0 290.411 1.633 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)CCOCCO)cc1Cl ZINC000825779343 758829152 /nfs/dbraw/zinc/82/91/52/758829152.db2.gz JMBCQCXPJSJMIK-UHFFFAOYSA-N 1 0 273.760 1.795 20 10 CDCDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000397964283 758831247 /nfs/dbraw/zinc/83/12/47/758831247.db2.gz JJBFMYITOIOIAQ-PSASIEDQSA-N 1 0 267.350 1.962 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](N3CC=CC3)C1)OCO2 ZINC000172932684 912422681 /nfs/dbraw/zinc/42/26/81/912422681.db2.gz QPQAWAHUWARGQI-ZDUSSCGKSA-N 1 0 288.347 1.567 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@]1(C)O ZINC001233483364 912821303 /nfs/dbraw/zinc/82/13/03/912821303.db2.gz XEEANFSOJBWKJE-ZUZCIYMTSA-N 1 0 281.352 1.786 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@H]1O ZINC001233483457 912824844 /nfs/dbraw/zinc/82/48/44/912824844.db2.gz ZWODMHXQDHMHLW-GXSJLCMTSA-N 1 0 267.325 1.396 20 10 CDCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000588489592 896642530 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Cc1c(O)ccc(C[NH+]2CCC(CO)CC2)c1O ZINC001140744158 936749051 /nfs/dbraw/zinc/74/90/51/936749051.db2.gz NLTPZCINYFNYFD-UHFFFAOYSA-N 1 0 251.326 1.611 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCCN(C)C(=O)C2)c1O ZINC001140745353 936749186 /nfs/dbraw/zinc/74/91/86/936749186.db2.gz GRXNQXNXUSLCJB-UHFFFAOYSA-N 1 0 264.325 1.070 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2CCS(=O)CC2)c1 ZINC000157950366 922689173 /nfs/dbraw/zinc/68/91/73/922689173.db2.gz CYVCWPXFOOMHMQ-UHFFFAOYSA-N 1 0 269.366 1.402 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(O)c1 ZINC001140947939 936782278 /nfs/dbraw/zinc/78/22/78/936782278.db2.gz MBIGHTMYNVJKRG-DUVNUKRYSA-N 1 0 277.364 1.672 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(OC)c1 ZINC001141031713 936796059 /nfs/dbraw/zinc/79/60/59/936796059.db2.gz IRJPNJFLTGRBGP-ZJUUUORDSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(OC)c1 ZINC001141026212 936793991 /nfs/dbraw/zinc/79/39/91/936793991.db2.gz HZHKCUGLJHPLEB-TZMCWYRMSA-N 1 0 279.336 1.773 20 10 CDCDRO Oc1ccc(O)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC001141158519 936822558 /nfs/dbraw/zinc/82/25/58/936822558.db2.gz CHPPDXFFQZIAPZ-UHFFFAOYSA-N 1 0 292.379 1.394 20 10 CDCDRO Oc1ccc(O)c(CN2CCC([NH+]3CCC3)CC2)c1 ZINC001141163193 936824075 /nfs/dbraw/zinc/82/40/75/936824075.db2.gz UOWSZORKHKUFKG-UHFFFAOYSA-N 1 0 262.353 1.768 20 10 CDCDRO CC(C)(C)N1CC(NC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193247427 923563835 /nfs/dbraw/zinc/56/38/35/923563835.db2.gz YTOJCNVOFKJXGX-UHFFFAOYSA-N 1 0 298.770 1.964 20 10 CDCDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001168972428 927596948 /nfs/dbraw/zinc/59/69/48/927596948.db2.gz MWLHKULVJRZCRM-NWDGAFQWSA-N 1 0 280.324 1.675 20 10 CDCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001169436164 928059008 /nfs/dbraw/zinc/05/90/08/928059008.db2.gz YWYUTRGICVTBIY-LLVKDONJSA-N 1 0 280.368 1.834 20 10 CDCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001275267343 931718563 /nfs/dbraw/zinc/71/85/63/931718563.db2.gz 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COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1OC ZINC000250054344 934966748 /nfs/dbraw/zinc/96/67/48/934966748.db2.gz MHJGXWXKKDRSNZ-CMPLNLGQSA-N 1 0 281.352 1.612 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252674327 935054057 /nfs/dbraw/zinc/05/40/57/935054057.db2.gz QFTJDBXOORTOFQ-RYUDHWBXSA-N 1 0 296.798 1.998 20 10 CDCDRO Cc1cnc(NCc2ccc(O)c(O)c2)c(C[NH3+])c1 ZINC001158997383 938686321 /nfs/dbraw/zinc/68/63/21/938686321.db2.gz FSOUFQKPZLWEDW-UHFFFAOYSA-N 1 0 259.309 1.872 20 10 CDCDRO COc1cc(C)c(N(CC[NH3+])CCO)cc1Cl ZINC001163837235 939340522 /nfs/dbraw/zinc/34/05/22/939340522.db2.gz VYKMVIQHGKFAEP-UHFFFAOYSA-N 1 0 258.749 1.414 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c1O ZINC001203599234 939695228 /nfs/dbraw/zinc/69/52/28/939695228.db2.gz DYROLZLFDOHVBO-CYBMUJFWSA-N 1 0 278.352 1.453 20 10 CDCDRO COc1cccc(CN2CCOC[C@@H]2C[NH+](C)C)c1O ZINC001203599565 939695743 /nfs/dbraw/zinc/69/57/43/939695743.db2.gz IPXBHMFZCOCQHI-ZDUSSCGKSA-N 1 0 280.368 1.163 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@]1(C)O ZINC001203875203 939710224 /nfs/dbraw/zinc/71/02/24/939710224.db2.gz KFXPEYZXWLRUSX-HZMBPMFUSA-N 1 0 251.326 1.691 20 10 CDCDRO CC[NH+](CC)CCN(C)Cc1ccc(O)cc1O ZINC001204272316 939749959 /nfs/dbraw/zinc/74/99/59/939749959.db2.gz NJGLLDICZOSQBS-UHFFFAOYSA-N 1 0 252.358 1.871 20 10 CDCDRO CCO[C@@H]1C[N@H+](Cc2ccc(O)cc2O)[C@@H]2CCCO[C@H]12 ZINC001204273790 939749963 /nfs/dbraw/zinc/74/99/63/939749963.db2.gz VEIHWIYUXDMRDS-BMFZPTHFSA-N 1 0 293.363 1.866 20 10 CDCDRO CN1CC2(CC1=O)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204277757 939751745 /nfs/dbraw/zinc/75/17/45/939751745.db2.gz KSQWAFLNDLFZLV-UHFFFAOYSA-N 1 0 290.363 1.542 20 10 CDCDRO COc1cc(CN(C)CCC[NH+](C)C)cc(O)c1O ZINC001204340691 939757036 /nfs/dbraw/zinc/75/70/36/939757036.db2.gz ZABMQORVRPZBGI-UHFFFAOYSA-N 1 0 268.357 1.490 20 10 CDCDRO COc1cc(CN2CCOC[C@@H]2C(C)C)cc(O)c1O ZINC001204346768 939759583 /nfs/dbraw/zinc/75/95/83/939759583.db2.gz YZQVGCBQTBZUBR-GFCCVEGCSA-N 1 0 281.352 1.963 20 10 CDCDRO C[NH+](C)CCN1CCC12CN(Cc1cccc(F)c1O)C2 ZINC001276538582 940211502 /nfs/dbraw/zinc/21/15/02/940211502.db2.gz WJRIXTLEBITEDN-UHFFFAOYSA-N 1 0 293.386 1.353 20 10 CDCDRO CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000400171201 940843649 /nfs/dbraw/zinc/84/36/49/940843649.db2.gz KPAYRHARRNQMMV-WCQYABFASA-N 1 0 298.408 1.467 20 10 CDCDRO NC(=[NH2+])N(C(=O)Cc1ccc(N)cc1)c1ccccc1F ZINC001220106261 941412944 /nfs/dbraw/zinc/41/29/44/941412944.db2.gz HDHQBOLHIYDWTF-UHFFFAOYSA-N 1 0 286.310 1.877 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)cc1 ZINC001276958136 941731121 /nfs/dbraw/zinc/73/11/21/941731121.db2.gz GHMFYQSTUZEQGQ-CYBMUJFWSA-N 1 0 259.353 1.060 20 10 CDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277014851 941816315 /nfs/dbraw/zinc/81/63/15/941816315.db2.gz WBACVGZQPPXCLL-BETUJISGSA-N 1 0 260.337 1.741 20 10 CDCDRO NC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001277442475 942578805 /nfs/dbraw/zinc/57/88/05/942578805.db2.gz 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ZINC001233012929 943462328 /nfs/dbraw/zinc/46/23/28/943462328.db2.gz LCJXNRQXRPCIIO-UHFFFAOYSA-N 1 0 280.368 1.577 20 10 CDCDRO CCN(Cc1cc(O)c(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001233011970 943462350 /nfs/dbraw/zinc/46/23/50/943462350.db2.gz FIUXDLJFFSBPOM-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233015762 943463394 /nfs/dbraw/zinc/46/33/94/943463394.db2.gz ADNDLGNSIFBFDO-JTQLQIEISA-N 1 0 281.308 1.331 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@H]1CCCOC1 ZINC001233014713 943463673 /nfs/dbraw/zinc/46/36/73/943463673.db2.gz BUWMYKUCHSRBSD-JTQLQIEISA-N 1 0 253.298 1.414 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1O ZINC001233483046 943591014 /nfs/dbraw/zinc/59/10/14/943591014.db2.gz MDPUPDFNNRMSKE-OTYXRUKQSA-N 1 0 265.309 1.414 20 10 CDCDRO CC(C)[N@H+](CCCO)Cc1cc(O)c(O)cc1O ZINC001233486136 943593564 /nfs/dbraw/zinc/59/35/64/943593564.db2.gz ZSIKSMUZTPYOEM-UHFFFAOYSA-N 1 0 255.314 1.396 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)[C@H](C)C1 ZINC001233487869 943595771 /nfs/dbraw/zinc/59/57/71/943595771.db2.gz VDQIXJZIDSJIQP-MWLCHTKSSA-N 1 0 267.325 1.803 20 10 CDCDRO Cn1cnc(/C=C/C(=O)N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001263173490 943774549 /nfs/dbraw/zinc/77/45/49/943774549.db2.gz CGLDVZOOUVGBES-YBJDMEARSA-N 1 0 296.374 1.913 20 10 CDCDRO Cc1cc(CN(C)C2C[NH2+]C2)c(O)cc1Br ZINC001235924601 944315938 /nfs/dbraw/zinc/31/59/38/944315938.db2.gz UWEVJGPTSUBGRZ-UHFFFAOYSA-N 1 0 285.185 1.867 20 10 CDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001235988242 944352513 /nfs/dbraw/zinc/35/25/13/944352513.db2.gz FYDWAHBFBOMAGJ-ZANVPECISA-N 1 0 268.744 1.674 20 10 CDCDRO COc1cc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994169 944361185 /nfs/dbraw/zinc/36/11/85/944361185.db2.gz SLSJGDGCMQJMHT-IAQYHMDHSA-N 1 0 278.352 1.333 20 10 CDCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172330 944422562 /nfs/dbraw/zinc/42/25/62/944422562.db2.gz YIXJAQBPWPDORS-CYBMUJFWSA-N 1 0 263.385 1.771 20 10 CDCDRO [NH3+]C[C@H]1CCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236244523 944434642 /nfs/dbraw/zinc/43/46/42/944434642.db2.gz CVSBJFLFQVRYQD-MRXNPFEDSA-N 1 0 289.423 1.571 20 10 CDCDRO Oc1cc2ccccc2cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236289639 944447519 /nfs/dbraw/zinc/44/75/19/944447519.db2.gz IICXQLUTTZRCNA-HUUCEWRRSA-N 1 0 254.333 1.949 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237119059 944660359 /nfs/dbraw/zinc/66/03/59/944660359.db2.gz AHWSGVSPSPRALP-MRVPVSSYSA-N 1 0 286.734 1.882 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001237487679 944814768 /nfs/dbraw/zinc/81/47/68/944814768.db2.gz KKHZPGLOBZTCFV-UHFFFAOYSA-N 1 0 291.395 1.082 20 10 CDCDRO Cc1cccc(O)c1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001237496499 944817329 /nfs/dbraw/zinc/81/73/29/944817329.db2.gz YVGHQRKXPMRFNC-OAHLLOKOSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1cc(C[N@@H+]2CCOC[C@H](C)C2)c(O)c(OC)c1 ZINC001237671572 944917378 /nfs/dbraw/zinc/91/73/78/944917378.db2.gz COHBHEUBLWTGTQ-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO CCN(CC[NH+](C)C)Cc1cc(OC)cc(OC)c1O ZINC001237674403 944917510 /nfs/dbraw/zinc/91/75/10/944917510.db2.gz GGTSYXJDWPASNH-UHFFFAOYSA-N 1 0 282.384 1.793 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c(O)c(OC)c1 ZINC001237675656 944918666 /nfs/dbraw/zinc/91/86/66/944918666.db2.gz CIXTVKRARCLKLX-PWSUYJOCSA-N 1 0 281.352 1.755 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(OC)cc(OC)c1O ZINC001237674459 944918767 /nfs/dbraw/zinc/91/87/67/944918767.db2.gz IMTVOAXJUJDDKT-UHFFFAOYSA-N 1 0 299.367 1.504 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC001238057137 945040655 /nfs/dbraw/zinc/04/06/55/945040655.db2.gz IUAVFQXKFNFFEZ-SNVBAGLBSA-N 1 0 266.316 1.537 20 10 CDCDRO Cc1cc(F)cc(CN2CC(=O)N(C)C[C@@H]2C)c1O ZINC001238067402 945047328 /nfs/dbraw/zinc/04/73/28/945047328.db2.gz OVZFJUCBCLCAEK-JTQLQIEISA-N 1 0 266.316 1.502 20 10 CDCDRO O=C(C[NH2+][C@@H]1CC2CCN(CC2)C1)c1ccc(O)c(O)c1 ZINC001254849538 947626349 /nfs/dbraw/zinc/62/63/49/947626349.db2.gz VCTULOQMMQDHAL-CYBMUJFWSA-N 1 0 290.363 1.354 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N)cc2)CN1 ZINC001246175155 948010872 /nfs/dbraw/zinc/01/08/72/948010872.db2.gz YMSIOHZZECJAEP-KBPBESRZSA-N 1 0 277.368 1.042 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2O)CN1 ZINC001246343946 948121233 /nfs/dbraw/zinc/12/12/33/948121233.db2.gz DEQYXSHGEPTUOO-OLZOCXBDSA-N 1 0 278.352 1.084 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCCSC2)cc1O ZINC001257655025 948618048 /nfs/dbraw/zinc/61/80/48/948618048.db2.gz LHGKNDWRPWLDOO-GXFFZTMASA-N 1 0 269.366 1.616 20 10 CDCDRO CCOC(=O)CC[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001258481313 948873611 /nfs/dbraw/zinc/87/36/11/948873611.db2.gz JOSLAVNVBNRJII-JTQLQIEISA-N 1 0 267.325 1.919 20 10 CDCDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001251782713 950817913 /nfs/dbraw/zinc/81/79/13/950817913.db2.gz PKYBOJMWDFZWQU-CQSZACIVSA-N 1 0 278.396 1.897 20 10 CDCDRO CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253691157 952039664 /nfs/dbraw/zinc/03/96/64/952039664.db2.gz PHARMYNKWKGIQX-AWEZNQCLSA-N 1 0 293.363 1.453 20 10 CDCDRO CC[N@H+](C)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001306908207 954076837 /nfs/dbraw/zinc/07/68/37/954076837.db2.gz DFRNAHQYBITBOY-SECBINFHSA-N 1 0 282.315 1.403 20 10 CDCDRO C[NH2+][C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001328677716 955412012 /nfs/dbraw/zinc/41/20/12/955412012.db2.gz SXLWQFXFOLPNFM-VIFPVBQESA-N 1 0 283.328 1.397 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001328918093 955551701 /nfs/dbraw/zinc/55/17/01/955551701.db2.gz IFHZPPQVANNTJO-SWLSCSKDSA-N 1 0 259.353 1.151 20 10 CDCDRO COc1ccc(C[NH2+]CCNc2cnccn2)cc1C ZINC001308331049 956518460 /nfs/dbraw/zinc/51/84/60/956518460.db2.gz VXYZYEMETFMILO-UHFFFAOYSA-N 1 0 272.352 1.995 20 10 CDCDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001308557008 956546177 /nfs/dbraw/zinc/54/61/77/956546177.db2.gz QYPNUQACTCSREW-HNNXBMFYSA-N 1 0 296.386 1.769 20 10 CDCDRO C[N@H+](Cc1cc(F)cc(F)c1[O-])CC1(O)CCOCC1 ZINC001332707635 957680736 /nfs/dbraw/zinc/68/07/36/957680736.db2.gz LAHPVONSONNNNN-UHFFFAOYSA-N 1 0 287.306 1.644 20 10 CDCDRO CCOc1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC001320603536 959269505 /nfs/dbraw/zinc/26/95/05/959269505.db2.gz OYTASIWXTUREHU-UHFFFAOYSA-N 1 0 291.395 1.296 20 10 CDCDRO Cc1c(C(=O)NCc2ccc(O)c(O)c2)ccc2c[nH+]cn21 ZINC001323550601 960808686 /nfs/dbraw/zinc/80/86/86/960808686.db2.gz FJHQUTJYLDKVNS-UHFFFAOYSA-N 1 0 297.314 1.984 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC001337838127 961459991 /nfs/dbraw/zinc/45/99/91/961459991.db2.gz HSBXHDZNHIUCKU-INIZCTEOSA-N 1 0 289.423 1.813 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC001341266267 963343232 /nfs/dbraw/zinc/34/32/32/963343232.db2.gz UHQAMVQLRZRSMV-CYBMUJFWSA-N 1 0 277.368 1.676 20 10 CDCDRO C[C@@H](NC(=O)NCc1ccc(N)cc1)C1=CC[N@H+](C)CC1 ZINC001346405028 965085825 /nfs/dbraw/zinc/08/58/25/965085825.db2.gz HHSHVSQEJFQSQP-GFCCVEGCSA-N 1 0 288.395 1.718 20 10 CDCDRO CC[NH2+]CCCNC(=O)NCc1ccc(N)cc1 ZINC001346462529 965123835 /nfs/dbraw/zinc/12/38/35/965123835.db2.gz GXLDUJMNBBAOIL-UHFFFAOYSA-N 1 0 250.346 1.068 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC001346738987 965235027 /nfs/dbraw/zinc/23/50/27/965235027.db2.gz LJHRMFMXZMAVPM-GFCCVEGCSA-N 1 0 262.357 1.149 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)c(O)c1O ZINC001353787685 968233791 /nfs/dbraw/zinc/23/37/91/968233791.db2.gz HEUHSHUENHYUDA-LBPRGKRZSA-N 1 0 276.336 1.230 20 10 CDCDRO Nc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1 ZINC001356083535 969328664 /nfs/dbraw/zinc/32/86/64/969328664.db2.gz RMDQJHKPSRLCRU-UHFFFAOYSA-N 1 0 275.352 1.685 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](O)C[NH3+] ZINC001521560887 970318618 /nfs/dbraw/zinc/31/86/18/970318618.db2.gz JJYMTXNRRWNJOV-OAHLLOKOSA-N 1 0 293.411 1.199 20 10 CDCDRO C[C@@H](O)CC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000072713872 345356040 /nfs/dbraw/zinc/35/60/40/345356040.db2.gz FZNOIJGYXZEYHR-CYBMUJFWSA-N 1 0 293.411 1.072 20 10 CDCDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000069922841 356832213 /nfs/dbraw/zinc/83/22/13/356832213.db2.gz ZRCRSEZERFSNMI-AWEZNQCLSA-N 1 0 284.363 1.626 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(c3cccnn3)CC2)c1O ZINC000179972331 357235141 /nfs/dbraw/zinc/23/51/41/357235141.db2.gz HMPDLQZTTUJXTC-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364154439 357914585 /nfs/dbraw/zinc/91/45/85/357914585.db2.gz DLHSHADBUNURHH-WFASDCNBSA-N 1 0 260.337 1.350 20 10 CDCDRO COc1ccc(O)c(CN2CCN(CC(C)C)C(=O)C2)c1 ZINC000190099371 358052913 /nfs/dbraw/zinc/05/29/13/358052913.db2.gz GGVRXMLVVWBQQJ-UHFFFAOYSA-N 1 0 292.379 1.701 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c1O ZINC000271110787 364928987 /nfs/dbraw/zinc/92/89/87/364928987.db2.gz UESXROGWOUKAEA-GFCCVEGCSA-N 1 0 279.336 1.786 20 10 CDCDRO Cc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1O ZINC000271825195 365001600 /nfs/dbraw/zinc/00/16/00/365001600.db2.gz NUFZYLHRWJWNMR-UHFFFAOYSA-N 1 0 253.342 1.123 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H]1O ZINC000271907401 365005792 /nfs/dbraw/zinc/00/57/92/365005792.db2.gz LUIQTNJOUVZVPH-GWCFXTLKSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000273345873 365487421 /nfs/dbraw/zinc/48/74/21/365487421.db2.gz ASRWQOFVKKZRRN-ZBEGNZNMSA-N 1 0 295.379 1.839 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c(O)c1C ZINC000273524593 365503855 /nfs/dbraw/zinc/50/38/55/365503855.db2.gz UYCICBBZPFLJTO-IUODEOHRSA-N 1 0 265.353 1.811 20 10 CDCDRO [NH3+]C1(C(=O)NCc2cc(O)ccc2O)CCCCC1 ZINC001580137180 1172357479 /nfs/dbraw/zinc/35/74/79/1172357479.db2.gz IEBCLDILACCMCP-UHFFFAOYSA-N 1 0 264.325 1.376 20 10 CDCDRO CCC[N@H+](Cc1cc(F)ccc1O)[C@H]1CC(=O)N(C)C1=O ZINC000282843041 368064233 /nfs/dbraw/zinc/06/42/33/368064233.db2.gz CVHUWZBHUIGSIX-LBPRGKRZSA-N 1 0 294.326 1.501 20 10 CDCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)C(=O)NCCF ZINC000282734154 368013183 /nfs/dbraw/zinc/01/31/83/368013183.db2.gz RDIZHVAIYZETTK-QMMMGPOBSA-N 1 0 274.723 1.609 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnnn2C)c(O)c1C ZINC000287133948 369097386 /nfs/dbraw/zinc/09/73/86/369097386.db2.gz AHJHJKJCKYIYLQ-NSHDSACASA-N 1 0 260.341 1.988 20 10 CDCDRO Cn1nncc1C[NH2+]Cc1c(O)cccc1Cl ZINC000288510784 370200687 /nfs/dbraw/zinc/20/06/87/370200687.db2.gz SXPCDPVIPKLTNU-UHFFFAOYSA-N 1 0 252.705 1.464 20 10 CDCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCS1(=O)=O ZINC000293936621 371348722 /nfs/dbraw/zinc/34/87/22/371348722.db2.gz NWYZMGSFOOQGBP-GWCFXTLKSA-N 1 0 281.377 1.287 20 10 CDCDRO Cc1cc(C[N@H+](C)C(C)(C)C(N)=O)ccc1N(C)C ZINC000295667626 371397467 /nfs/dbraw/zinc/39/74/67/371397467.db2.gz IYKNOWCVRHUIRM-UHFFFAOYSA-N 1 0 263.385 1.757 20 10 CDCDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000121139984 390880539 /nfs/dbraw/zinc/88/05/39/390880539.db2.gz JIWSWQOTBZWNML-HNNXBMFYSA-N 1 0 297.395 1.627 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(C(=O)NC)CC2)c1O ZINC000133344661 390903571 /nfs/dbraw/zinc/90/35/71/390903571.db2.gz WQQLZGOJZFVVHV-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO COCC[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000122993901 390908565 /nfs/dbraw/zinc/90/85/65/390908565.db2.gz YIDYSOBXQSBBFV-UHFFFAOYSA-N 1 0 295.402 1.656 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000373738389 391130320 /nfs/dbraw/zinc/13/03/20/391130320.db2.gz OUOLCIRVARQHHR-FPMFFAJLSA-N 1 0 274.364 1.786 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)O)cc1 ZINC000177730058 391175569 /nfs/dbraw/zinc/17/55/69/391175569.db2.gz FBJKJRKZLVSYRC-UHFFFAOYSA-N 1 0 293.411 1.072 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000178712567 391190757 /nfs/dbraw/zinc/19/07/57/391190757.db2.gz YFYBUVVKVYTJKH-OAHLLOKOSA-N 1 0 291.395 1.137 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCC[NH2+]1 ZINC000182348882 391234274 /nfs/dbraw/zinc/23/42/74/391234274.db2.gz DCVIDDSIKHWALG-CQSZACIVSA-N 1 0 274.364 1.639 20 10 CDCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCNC1=O ZINC000281905229 391422902 /nfs/dbraw/zinc/42/29/02/391422902.db2.gz ZMFUMJBOZDXVHP-LLVKDONJSA-N 1 0 252.289 1.242 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000188486920 391437474 /nfs/dbraw/zinc/43/74/74/391437474.db2.gz JRGMZPUJSUUTPU-GFCCVEGCSA-N 1 0 263.385 1.709 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)OC ZINC000227707551 392043470 /nfs/dbraw/zinc/04/34/70/392043470.db2.gz YPVWJZCQTALJIH-CQSZACIVSA-N 1 0 252.358 1.504 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000154994793 261096683 /nfs/dbraw/zinc/09/66/83/261096683.db2.gz OZIDUBZAWUBFLA-NSHDSACASA-N 1 0 264.325 1.098 20 10 CDCDRO Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(O)c1O ZINC000177672358 261711444 /nfs/dbraw/zinc/71/14/44/261711444.db2.gz FUPZCZHSXWDPJF-LLVKDONJSA-N 1 0 292.379 1.868 20 10 CDCDRO CC1(CO)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000184075160 262007022 /nfs/dbraw/zinc/00/70/22/262007022.db2.gz UEGAEVULULYHHA-UHFFFAOYSA-N 1 0 279.336 1.715 20 10 CDCDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000272818270 263009072 /nfs/dbraw/zinc/00/90/72/263009072.db2.gz FJGPBZRYVXKKNR-GWCFXTLKSA-N 1 0 261.325 1.510 20 10 CDCDRO CCOc1cccc(C[NH2+]CC(C)(C)OCCO)c1O ZINC000288492856 264683138 /nfs/dbraw/zinc/68/31/38/264683138.db2.gz RBSOALWBLRCWCT-UHFFFAOYSA-N 1 0 283.368 1.668 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)C(C)(C)[NH3+])CC2)cc1 ZINC000165750298 264689707 /nfs/dbraw/zinc/68/97/07/264689707.db2.gz VQJKMSNKTVLCBB-UHFFFAOYSA-N 1 0 291.395 1.471 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000367782779 267117215 /nfs/dbraw/zinc/11/72/15/267117215.db2.gz USRLQMUNUPEUGT-ITGUQSILSA-N 1 0 263.337 1.461 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000368127037 267146415 /nfs/dbraw/zinc/14/64/15/267146415.db2.gz WCZUECOBKFIJEG-JKSUJKDBSA-N 1 0 287.407 1.563 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000370400753 267316981 /nfs/dbraw/zinc/31/69/81/267316981.db2.gz RFKKDQCGENEPHY-JKSUJKDBSA-N 1 0 278.396 1.460 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000371326971 267390377 /nfs/dbraw/zinc/39/03/77/267390377.db2.gz LABQXJVSKQDJTL-NVXWUHKLSA-N 1 0 290.407 1.732 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000373143295 267643453 /nfs/dbraw/zinc/64/34/53/267643453.db2.gz WSJIKSSHOUMUGV-UKRRQHHQSA-N 1 0 281.327 1.959 20 10 CDCDRO Cc1nccnc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000374209352 267762444 /nfs/dbraw/zinc/76/24/44/267762444.db2.gz HSOVRBXYXOHXGB-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000529668320 281351759 /nfs/dbraw/zinc/35/17/59/281351759.db2.gz JJBMQEJEWVOYDJ-IYBDPMFKSA-N 1 0 279.380 1.513 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000563211213 327965504 /nfs/dbraw/zinc/96/55/04/327965504.db2.gz SJSZMGQWWFXUNI-AAEUAGOBSA-N 1 0 289.379 1.476 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000271805873 328197286 /nfs/dbraw/zinc/19/72/86/328197286.db2.gz JWAOUXAWSLIFSD-CQSZACIVSA-N 1 0 264.369 1.511 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CC(=O)N(C)C)c1O ZINC000228677425 329344338 /nfs/dbraw/zinc/34/43/38/329344338.db2.gz QVZZLUVRJZVZML-UHFFFAOYSA-N 1 0 272.732 1.232 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000231604517 329377302 /nfs/dbraw/zinc/37/73/02/329377302.db2.gz FBMXZDFXLFHRFA-CQSZACIVSA-N 1 0 252.358 1.240 20 10 CDCDRO CC(C)[NH2+]CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000583324664 329452104 /nfs/dbraw/zinc/45/21/04/329452104.db2.gz FKFOIFSSFYKOBF-UHFFFAOYSA-N 1 0 291.395 1.866 20 10 CDCDRO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000577071820 335295200 /nfs/dbraw/zinc/29/52/00/335295200.db2.gz BHFOFILQJBDBSS-VIKVFOODSA-N 1 0 298.390 1.504 20 10 CDCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCNC1=O ZINC000281821999 517649203 /nfs/dbraw/zinc/64/92/03/517649203.db2.gz RDDTYWWLCSTXSO-ZDUSSCGKSA-N 1 0 262.353 1.719 20 10 CDCDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262562376 519285869 /nfs/dbraw/zinc/28/58/69/519285869.db2.gz AAZJKHQQQFQUTD-HNNXBMFYSA-N 1 0 263.385 1.691 20 10 CDCDRO CCCNC(=O)C[NH2+][C@@H](CC)c1ccccc1O ZINC000036780862 519879954 /nfs/dbraw/zinc/87/99/54/519879954.db2.gz PBCXUKJLYXUTKK-LBPRGKRZSA-N 1 0 250.342 1.959 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000188501302 520214414 /nfs/dbraw/zinc/21/44/14/520214414.db2.gz UDTAXLMLRLNFGU-QWRGUYRKSA-N 1 0 280.368 1.918 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)[C@@H]1OC ZINC000274847457 520371234 /nfs/dbraw/zinc/37/12/34/520371234.db2.gz AIXZQKBFTZGVBO-NFAWXSAZSA-N 1 0 265.353 1.983 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000234801252 522685837 /nfs/dbraw/zinc/68/58/37/522685837.db2.gz WGZWVZVAKOLAQQ-HNNXBMFYSA-N 1 0 278.396 1.774 20 10 CDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227981462 525042488 /nfs/dbraw/zinc/04/24/88/525042488.db2.gz BGLGKQJGVFRIIT-IAQYHMDHSA-N 1 0 263.337 1.251 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O ZINC000094617779 525392169 /nfs/dbraw/zinc/39/21/69/525392169.db2.gz LWHQWTDZQCJYOM-UWVGGRQHSA-N 1 0 287.356 1.617 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](OC)C2CC2)c1O ZINC000292946506 526019667 /nfs/dbraw/zinc/01/96/67/526019667.db2.gz IIGVDYMIDDBWAC-ZDUSSCGKSA-N 1 0 251.326 1.915 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000734847048 575387550 /nfs/dbraw/zinc/38/75/50/575387550.db2.gz ZWQGJKWFUQBOJT-CQSZACIVSA-N 1 0 269.341 1.278 20 10 CDCDRO CCN(C)c1ccc(C[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000773754962 575837838 /nfs/dbraw/zinc/83/78/38/575837838.db2.gz QCZLXFGNBQBNAS-UHFFFAOYSA-N 1 0 290.411 1.775 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000773839158 575840472 /nfs/dbraw/zinc/84/04/72/575840472.db2.gz MQNNSBRBHCVKMN-INIZCTEOSA-N 1 0 288.395 1.699 20 10 CDCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000767776837 576228632 /nfs/dbraw/zinc/22/86/32/576228632.db2.gz YGEZXXFGELJUCG-TXEJJXNPSA-N 1 0 292.379 1.629 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCO1 ZINC000768448880 576284648 /nfs/dbraw/zinc/28/46/48/576284648.db2.gz YBCNJPLIOFDOBU-QMTHXVAHSA-N 1 0 279.336 1.429 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000768461839 576286317 /nfs/dbraw/zinc/28/63/17/576286317.db2.gz FZPPDNVAXLQVFT-UHFFFAOYSA-N 1 0 280.368 1.667 20 10 CDCDRO C[C@H]1COCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462443 576286679 /nfs/dbraw/zinc/28/66/79/576286679.db2.gz LMTKLDPXELFCSG-HZMBPMFUSA-N 1 0 279.336 1.429 20 10 CDCDRO O=C(NCCC[NH+]1CCC(O)CC1)C1=CC(=O)CS1 ZINC000761575293 576583545 /nfs/dbraw/zinc/58/35/45/576583545.db2.gz WQIDVVKCXKXAFP-UHFFFAOYSA-N 1 0 284.381 1.030 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCOC1 ZINC000763481004 576738936 /nfs/dbraw/zinc/73/89/36/576738936.db2.gz RTDFIKKJCWMYPH-HNNXBMFYSA-N 1 0 282.359 1.787 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756505664 576992707 /nfs/dbraw/zinc/99/27/07/576992707.db2.gz VDKZSKKQMFTGRT-PSASIEDQSA-N 1 0 287.356 1.714 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756660210 576998948 /nfs/dbraw/zinc/99/89/48/576998948.db2.gz LARWDZCIAHZMJK-HTQZYQBOSA-N 1 0 256.733 1.960 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)cc1 ZINC000753587570 577178532 /nfs/dbraw/zinc/17/85/32/577178532.db2.gz PIROSYFMXZMNIS-UHFFFAOYSA-N 1 0 289.379 1.827 20 10 CDCDRO COc1ccc(C[N@@H+]2CCOC[C@H](C)C2)c(O)c1OC ZINC000892077813 617467323 /nfs/dbraw/zinc/46/73/23/617467323.db2.gz ZBUOQSQCQONAOO-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893320783 617568051 /nfs/dbraw/zinc/56/80/51/617568051.db2.gz QZGVCPPZCJCYBW-VIFPVBQESA-N 1 0 282.340 1.024 20 10 CDCDRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000892237110 617569367 /nfs/dbraw/zinc/56/93/67/617569367.db2.gz HLBFLPGEQITSDV-LLVKDONJSA-N 1 0 297.786 1.939 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1O ZINC000840975405 617961533 /nfs/dbraw/zinc/96/15/33/617961533.db2.gz NIHIBYALHUKRDC-SKDRFNHKSA-N 1 0 271.744 1.221 20 10 CDCDRO COc1ccc(C[NH2+]CCC[S@](C)=O)c(O)c1OC ZINC000893005263 618048357 /nfs/dbraw/zinc/04/83/57/618048357.db2.gz SDPBQNFZLLYTSM-IBGZPJMESA-N 1 0 287.381 1.268 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000892791963 617752095 /nfs/dbraw/zinc/75/20/95/617752095.db2.gz BWZHTIDCXNDRIB-RISCZKNCSA-N 1 0 295.404 1.534 20 10 CDCDRO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H]1CCC[NH2+]C1 ZINC000891980552 617931639 /nfs/dbraw/zinc/93/16/39/617931639.db2.gz FTQGLLXYUQZBIH-NEPJUHHUSA-N 1 0 289.379 1.806 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)O)c(O)c1OC ZINC000893505455 618004408 /nfs/dbraw/zinc/00/44/08/618004408.db2.gz MRNAWQMNHPVPGN-ZJUUUORDSA-N 1 0 269.341 1.658 20 10 CDCDRO CC[C@@H](CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893013421 618056734 /nfs/dbraw/zinc/05/67/34/618056734.db2.gz JZTNMTMCVNICIF-NSHDSACASA-N 1 0 269.341 1.660 20 10 CDCDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933552 618140990 /nfs/dbraw/zinc/14/09/90/618140990.db2.gz PSGZNYPPYDXBRK-UHFFFAOYSA-N 1 0 299.440 1.090 20 10 CDCDRO CC(C)[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000034823738 618536640 /nfs/dbraw/zinc/53/66/40/618536640.db2.gz FPYQWYXDWOUPJK-UHFFFAOYSA-N 1 0 275.396 1.886 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H](C)[NH3+] ZINC000841828546 618643869 /nfs/dbraw/zinc/64/38/69/618643869.db2.gz VFGHHYRJIKPADL-LBPRGKRZSA-N 1 0 278.400 1.598 20 10 CDCDRO COc1c(O)c(CN2CC[NH2+][C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843056982 618691128 /nfs/dbraw/zinc/69/11/28/618691128.db2.gz DODWSTZIOFOBBC-UWVGGRQHSA-N 1 0 295.339 1.491 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831736 618697451 /nfs/dbraw/zinc/69/74/51/618697451.db2.gz DGPWHQIEUMGYPE-UHFFFAOYSA-N 1 0 288.395 1.472 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)O)c1O ZINC000894437956 618887307 /nfs/dbraw/zinc/88/73/07/618887307.db2.gz UACHTHDKCCDHPU-QWRGUYRKSA-N 1 0 253.342 1.958 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000894443902 618888713 /nfs/dbraw/zinc/88/87/13/618888713.db2.gz HVFYAJQKWAMBQS-YPMLDQLKSA-N 1 0 271.382 1.566 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)CCO)c1O ZINC000895149510 619359508 /nfs/dbraw/zinc/35/95/08/619359508.db2.gz JKRGMOPMLGUBFY-LLVKDONJSA-N 1 0 253.342 1.912 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1O ZINC000897679400 621066829 /nfs/dbraw/zinc/06/68/29/621066829.db2.gz KALAEJQTFKQTFK-PRHODGIISA-N 1 0 286.169 1.967 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897681481 621070114 /nfs/dbraw/zinc/07/01/14/621070114.db2.gz VWFSETCYZZBRGY-GZMMTYOYSA-N 1 0 271.744 1.867 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)O)c(O)c1OC ZINC000898119502 621327324 /nfs/dbraw/zinc/32/73/24/621327324.db2.gz RCEHEQPQNUKKPK-VIFPVBQESA-N 1 0 269.341 1.658 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000153814433 631896837 /nfs/dbraw/zinc/89/68/37/631896837.db2.gz YXCROCYBKIDWGV-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO C[NH+](C)CCN(C(=O)c1cccc(O)c1O)C1CC1 ZINC000807267033 1162743959 /nfs/dbraw/zinc/74/39/59/1162743959.db2.gz NNMRVTYOILDTJH-UHFFFAOYSA-N 1 0 264.325 1.264 20 10 CDCDRO C[C@H](NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F)c1ccc(N(C)C)cc1 ZINC001576226748 1171366531 /nfs/dbraw/zinc/36/65/31/1171366531.db2.gz HZJRDMATAUZYPD-ZWKOPEQDSA-N 1 0 297.349 1.770 20 10 CDCDRO COc1ccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c(O)c1OC ZINC001579214048 1172117024 /nfs/dbraw/zinc/11/70/24/1172117024.db2.gz UVTAOTQQJRHBSD-QWRGUYRKSA-N 1 0 280.368 1.592 20 10 CDCDRO C[C@H](NC(=O)c1c(F)ccc(O)c1O)C1CC[NH2+]CC1 ZINC001579482470 1172194651 /nfs/dbraw/zinc/19/46/51/1172194651.db2.gz BBFJEZCLVFSECT-QMMMGPOBSA-N 1 0 282.315 1.355 20 10 CDCDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc(O)c1O ZINC000126720017 1175486721 /nfs/dbraw/zinc/48/67/21/1175486721.db2.gz HVAYJPYYEVZZFM-CYBMUJFWSA-N 1 0 252.314 1.201 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000221109735 1177914346 /nfs/dbraw/zinc/91/43/46/1177914346.db2.gz BRGDNWQKCXRMDC-QWRGUYRKSA-N 1 0 298.408 1.388 20 10 CDCDRO COc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC000162104565 1179412233 /nfs/dbraw/zinc/41/22/33/1179412233.db2.gz GXVFSTHABGAAGG-LBPRGKRZSA-N 1 0 264.325 1.241 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)OC ZINC000781528872 758875156 /nfs/dbraw/zinc/87/51/56/758875156.db2.gz GCLYDPWEPDPJAD-LLVKDONJSA-N 1 0 285.340 1.160 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000825196975 758952066 /nfs/dbraw/zinc/95/20/66/758952066.db2.gz RRKYNHGSGHPBLC-DGCLKSJQSA-N 1 0 255.289 1.425 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000840942482 758973477 /nfs/dbraw/zinc/97/34/77/758973477.db2.gz UMAHFRWLGMITAH-IAQYHMDHSA-N 1 0 275.396 1.675 20 10 CDCDRO Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)ccc1N(C)C ZINC000815081123 759034106 /nfs/dbraw/zinc/03/41/06/759034106.db2.gz SIFDORPTTUJPOL-HNNXBMFYSA-N 1 0 287.407 1.868 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000397542950 770736199 /nfs/dbraw/zinc/73/61/99/770736199.db2.gz YPYOFWGOLKSIRU-UHFFFAOYSA-N 1 0 258.705 1.155 20 10 CDCDRO COc1cc(O)c(C[N@H+](CCCO)C2CC2)cc1OC ZINC000775701821 771364572 /nfs/dbraw/zinc/36/45/72/771364572.db2.gz NDPQGDUDOWKNPK-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO CN(C)c1ccc(CN[C@@H](CC[NH3+])C(F)F)cc1F ZINC000841074933 768831127 /nfs/dbraw/zinc/83/11/27/768831127.db2.gz SGYRADKAERDTPQ-NSHDSACASA-N 1 0 275.318 1.964 20 10 CDCDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834623943 768832033 /nfs/dbraw/zinc/83/20/33/768832033.db2.gz CLLFXOJVKDAADT-CMPLNLGQSA-N 1 0 283.393 1.792 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000866420601 768839177 /nfs/dbraw/zinc/83/91/77/768839177.db2.gz QHQXPXMHBQELLV-TUAOUCFPSA-N 1 0 271.744 1.846 20 10 CDCDRO CC[NH2+]Cc1cn(Cc2ccc(N(C)CC)cc2)nn1 ZINC000881313614 768842937 /nfs/dbraw/zinc/84/29/37/768842937.db2.gz QBHKJTFVFVVEAA-UHFFFAOYSA-N 1 0 273.384 1.892 20 10 CDCDRO CCN(C)c1ccc(Cn2cc([C@H](C)[NH3+])nn2)cc1 ZINC000881313287 768884221 /nfs/dbraw/zinc/88/42/21/768884221.db2.gz HDAYRDZIBLBMPK-NSHDSACASA-N 1 0 259.357 1.802 20 10 CDCDRO COC[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879461080 768885036 /nfs/dbraw/zinc/88/50/36/768885036.db2.gz BXPQLLDNHHQDII-ZDUSSCGKSA-N 1 0 294.395 1.861 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000841955632 768898156 /nfs/dbraw/zinc/89/81/56/768898156.db2.gz ISSDKEOJKLZCDG-AWEZNQCLSA-N 1 0 290.411 1.582 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000858549658 768905555 /nfs/dbraw/zinc/90/55/55/768905555.db2.gz YGOPQKISAWKLLZ-QWHCGFSZSA-N 1 0 264.369 1.418 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCF)cc2)CC1 ZINC000889665294 768906289 /nfs/dbraw/zinc/90/62/89/768906289.db2.gz KUHOYJLGSHLMJT-UHFFFAOYSA-N 1 0 294.374 1.207 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(O)c1O ZINC000780916296 768970211 /nfs/dbraw/zinc/97/02/11/768970211.db2.gz VCRMYRKNITVTON-GFCCVEGCSA-N 1 0 292.379 1.866 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2ccccc2=O)c1 ZINC000775369962 769000734 /nfs/dbraw/zinc/00/07/34/769000734.db2.gz CTANRMFOBKLLOH-LBPRGKRZSA-N 1 0 288.347 1.913 20 10 CDCDRO COC(=O)N1CC([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846157791 769062990 /nfs/dbraw/zinc/06/29/90/769062990.db2.gz XHGHTUPAXXETBK-SECBINFHSA-N 1 0 280.324 1.502 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000883379114 769091307 /nfs/dbraw/zinc/09/13/07/769091307.db2.gz NSMVRYAPPFCRTK-AULYBMBSSA-N 1 0 299.392 1.456 20 10 CDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834906401 769358167 /nfs/dbraw/zinc/35/81/67/769358167.db2.gz DSQSEKYMPUGOCI-WOPDTQHZSA-N 1 0 260.337 1.623 20 10 CDCDRO COC(=O)[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@H+](C)C1 ZINC000840956637 769458121 /nfs/dbraw/zinc/45/81/21/769458121.db2.gz BEIBSTJTUKTORK-LBPRGKRZSA-N 1 0 296.342 1.068 20 10 CDCDRO CC(=O)N1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000124670928 769590589 /nfs/dbraw/zinc/59/05/89/769590589.db2.gz XKQJEXNZKYLQAR-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000831203780 769732492 /nfs/dbraw/zinc/73/24/92/769732492.db2.gz ZROGDNPIQPIPCZ-DCAQKATOSA-N 1 0 295.383 1.887 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)c1ccc(C)c(O)c1O ZINC000780938683 769767280 /nfs/dbraw/zinc/76/72/80/769767280.db2.gz IONFBGVRLSTQQE-UHFFFAOYSA-N 1 0 280.368 1.868 20 10 CDCDRO C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C)[N@H+]1CCO ZINC000824926455 769807050 /nfs/dbraw/zinc/80/70/50/769807050.db2.gz NYUGNFHHKNNXRW-TXEJJXNPSA-N 1 0 298.814 1.933 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848398750 769849769 /nfs/dbraw/zinc/84/97/69/769849769.db2.gz WKZPDFPHFAVMLO-CZUORRHYSA-N 1 0 274.364 1.740 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000158604649 769857450 /nfs/dbraw/zinc/85/74/50/769857450.db2.gz HAZOVHSQRMUGPR-UHFFFAOYSA-N 1 0 275.396 1.853 20 10 CDCDRO COc1ccc(O)c([C@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC000817941780 769871624 /nfs/dbraw/zinc/87/16/24/769871624.db2.gz RMXOIAOOZCIGCP-WDEREUQCSA-N 1 0 250.342 1.803 20 10 CDCDRO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819379363 769969077 /nfs/dbraw/zinc/96/90/77/769969077.db2.gz GEXNWTBDJXOBGW-ZFWWWQNUSA-N 1 0 294.395 1.118 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000398350885 770014332 /nfs/dbraw/zinc/01/43/32/770014332.db2.gz ZSJNTGAJNXYMNY-RYUDHWBXSA-N 1 0 261.369 1.539 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000877035657 770076362 /nfs/dbraw/zinc/07/63/62/770076362.db2.gz ZPNJJNIBVSQWSX-AWEZNQCLSA-N 1 0 253.342 1.578 20 10 CDCDRO O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000323869551 770081435 /nfs/dbraw/zinc/08/14/35/770081435.db2.gz SVXOKGRUYQLTCM-JKSUJKDBSA-N 1 0 276.380 1.526 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CCO)C2)cc1 ZINC000818342235 770337977 /nfs/dbraw/zinc/33/79/77/770337977.db2.gz NNVDYIHQZSXGLQ-KBPBESRZSA-N 1 0 278.396 1.882 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)c(O)c1 ZINC000809766172 770809675 /nfs/dbraw/zinc/80/96/75/770809675.db2.gz WGBKHBZEUFSDSN-LLVKDONJSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841747243 770840307 /nfs/dbraw/zinc/84/03/07/770840307.db2.gz OZXUYQCDZSZJJW-QMMMGPOBSA-N 1 0 277.773 1.741 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)c(O)c1 ZINC000877367102 770855226 /nfs/dbraw/zinc/85/52/26/770855226.db2.gz BOSDVCWPLNMXSS-HNNXBMFYSA-N 1 0 279.380 1.968 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCS2)cc1 ZINC000832267328 770860969 /nfs/dbraw/zinc/86/09/69/770860969.db2.gz QORRPGMGBLQXPA-KGLIPLIRSA-N 1 0 293.436 1.764 20 10 CDCDRO Oc1cc2c(cc1CNC[C@H]1CCCC[NH2+]1)OCO2 ZINC000841032604 770864227 /nfs/dbraw/zinc/86/42/27/770864227.db2.gz HNNCPPVIYIBPOF-LLVKDONJSA-N 1 0 264.325 1.353 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]([NH3+])CC(C)C)c(O)c1 ZINC000832178398 771033451 /nfs/dbraw/zinc/03/34/51/771033451.db2.gz QGIXSALHEKBMSC-GFCCVEGCSA-N 1 0 266.341 1.390 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000134226193 771078248 /nfs/dbraw/zinc/07/82/48/771078248.db2.gz QKNLLJJZALXFJN-AWEZNQCLSA-N 1 0 273.332 1.922 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1C ZINC000840962561 771112560 /nfs/dbraw/zinc/11/25/60/771112560.db2.gz LPJMVFLHHLYILZ-DZGCQCFKSA-N 1 0 279.380 1.886 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000877037301 771176428 /nfs/dbraw/zinc/17/64/28/771176428.db2.gz ZQEJEXICOGAAOO-YPMHNXCESA-N 1 0 292.379 1.938 20 10 CDCDRO COC1(C[NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000180860580 771199582 /nfs/dbraw/zinc/19/95/82/771199582.db2.gz YJJWBSXYGYIGBN-UHFFFAOYSA-N 1 0 269.316 1.817 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1OC ZINC000213809757 771249776 /nfs/dbraw/zinc/24/97/76/771249776.db2.gz HFKYQWUGJQFPCD-AOOOYVTPSA-N 1 0 295.339 1.799 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cc(F)ccc2O)C1 ZINC000813328339 771386790 /nfs/dbraw/zinc/38/67/90/771386790.db2.gz PDSUYSZZZWSDOM-UHFFFAOYSA-N 1 0 268.288 1.462 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1O ZINC000846166618 771435365 /nfs/dbraw/zinc/43/53/65/771435365.db2.gz BCLFWEPJFYLYQZ-PGUXBMHVSA-N 1 0 281.352 1.591 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000825158511 771441458 /nfs/dbraw/zinc/44/14/58/771441458.db2.gz NMHMXMUSBBNCBT-HNNXBMFYSA-N 1 0 265.353 1.531 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1 ZINC000229641480 771480075 /nfs/dbraw/zinc/48/00/75/771480075.db2.gz QQGRQDWURMQZOK-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(C)(C)O ZINC000876995551 771568132 /nfs/dbraw/zinc/56/81/32/771568132.db2.gz GEIIAYJRQKIQNF-ZDUSSCGKSA-N 1 0 292.423 1.897 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCNC2=O)c1 ZINC000846843775 771725016 /nfs/dbraw/zinc/72/50/16/771725016.db2.gz HBPXTILCGFCXLC-MNOVXSKESA-N 1 0 278.352 1.578 20 10 CDCDRO CC(C)[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876538421 771761565 /nfs/dbraw/zinc/76/15/65/771761565.db2.gz INQDWNHESMZBDK-UHFFFAOYSA-N 1 0 292.423 1.850 20 10 CDCDRO CCOc1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c(O)c1 ZINC000846068457 771795134 /nfs/dbraw/zinc/79/51/34/771795134.db2.gz SNKDKMAOOSAIIO-CQSZACIVSA-N 1 0 292.379 1.042 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CCCCC[NH3+])cc1 ZINC000040825810 771859835 /nfs/dbraw/zinc/85/98/35/771859835.db2.gz NGWGRNONXVVEIA-UHFFFAOYSA-N 1 0 263.385 1.888 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000877466430 771878303 /nfs/dbraw/zinc/87/83/03/771878303.db2.gz JNBSPXSYSYZADU-VXGBXAGGSA-N 1 0 251.326 1.282 20 10 CDCDRO COc1ccc(N(CCOCC[NH3+])CC2CC2)cc1 ZINC000866671881 771894895 /nfs/dbraw/zinc/89/48/95/771894895.db2.gz BEPGSERJVLADJT-UHFFFAOYSA-N 1 0 264.369 1.887 20 10 CDCDRO CC(=O)NCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825084778 771895930 /nfs/dbraw/zinc/89/59/30/771895930.db2.gz QRLJVHSAFJXFRX-UHFFFAOYSA-N 1 0 270.760 1.970 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)c(O)c1 ZINC000877029190 771907545 /nfs/dbraw/zinc/90/75/45/771907545.db2.gz UWNMFOZKBSFDSH-SNVBAGLBSA-N 1 0 257.355 1.223 20 10 CDCDRO NC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775638171 771925659 /nfs/dbraw/zinc/92/56/59/771925659.db2.gz BUZARZQAPXSTNN-UHFFFAOYSA-N 1 0 286.734 1.882 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c1O ZINC000857084317 771937967 /nfs/dbraw/zinc/93/79/67/771937967.db2.gz MJYIUUSZVPZERO-CMPLNLGQSA-N 1 0 278.352 1.672 20 10 CDCDRO C[NH+]1CCC(ONC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000854358157 772008490 /nfs/dbraw/zinc/00/84/90/772008490.db2.gz QKBADGGISFJHAP-HWKANZROSA-N 1 0 292.335 1.253 20 10 CDCDRO COCC[NH2+]CCNCc1ccc(N(C)C)c(F)c1 ZINC000841048211 772074091 /nfs/dbraw/zinc/07/40/91/772074091.db2.gz NOVKRTMJBNPHEY-UHFFFAOYSA-N 1 0 269.364 1.217 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1cc(C)ccc1O ZINC000862759551 772078019 /nfs/dbraw/zinc/07/80/19/772078019.db2.gz GDTURZNNJVZKDN-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC000846092339 772116450 /nfs/dbraw/zinc/11/64/50/772116450.db2.gz CPLXZTMZHFFQRH-AWEZNQCLSA-N 1 0 275.396 1.711 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000231607754 772231868 /nfs/dbraw/zinc/23/18/68/772231868.db2.gz HWQFNUORJHOCKX-MRXNPFEDSA-N 1 0 294.395 1.010 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000841881985 772359036 /nfs/dbraw/zinc/35/90/36/772359036.db2.gz FXUMAISXNNEFRA-GXTWGEPZSA-N 1 0 290.411 1.865 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000846157260 772363948 /nfs/dbraw/zinc/36/39/48/772363948.db2.gz SVDTUDCDWFTXSY-ZOWXZIJZSA-N 1 0 294.395 1.771 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000863545271 772383715 /nfs/dbraw/zinc/38/37/15/772383715.db2.gz NBLKOSULXSDCJB-GXTWGEPZSA-N 1 0 263.385 1.392 20 10 CDCDRO O=C1NCCN1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000886324466 772421691 /nfs/dbraw/zinc/42/16/91/772421691.db2.gz RYEXARWOOUEMNW-UHFFFAOYSA-N 1 0 269.732 1.160 20 10 CDCDRO C[C@@H]1[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+]1C ZINC000779547132 772431028 /nfs/dbraw/zinc/43/10/28/772431028.db2.gz IYJUXJQJLIKIPR-BAEOLTKYSA-N 1 0 290.363 1.662 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000857084646 772456447 /nfs/dbraw/zinc/45/64/47/772456447.db2.gz ZUEYYECLHLGGHU-WCQYABFASA-N 1 0 262.353 1.972 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c(O)c1 ZINC000840962717 772536110 /nfs/dbraw/zinc/53/61/10/772536110.db2.gz MYNILTUHVCGEPW-ZFWWWQNUSA-N 1 0 295.379 1.668 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(O)cc1C ZINC000794702192 772586016 /nfs/dbraw/zinc/58/60/16/772586016.db2.gz FKATVURHOZBMFW-OAHLLOKOSA-N 1 0 278.352 1.407 20 10 CDCDRO C[C@H]([NH2+]CCN1CCNC1=O)c1cc(F)ccc1O ZINC000886744646 772687539 /nfs/dbraw/zinc/68/75/39/772687539.db2.gz COCJRMJNNOQFBN-VIFPVBQESA-N 1 0 267.304 1.207 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@]1(O)CCOC1 ZINC000229640477 772742002 /nfs/dbraw/zinc/74/20/02/772742002.db2.gz HLHSBSUDRQABPU-GFCCVEGCSA-N 1 0 257.717 1.287 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2OC)c(O)c1 ZINC000839193033 772785830 /nfs/dbraw/zinc/78/58/30/772785830.db2.gz MXJLTXVHRNTARG-OCCSQVGLSA-N 1 0 267.325 1.294 20 10 CDCDRO Cc1ccc(C[NH2+]C2COC(C)(C)OC2)c(O)c1 ZINC000877339394 772840761 /nfs/dbraw/zinc/84/07/61/772840761.db2.gz ZDBPBHAMFHQVKH-UHFFFAOYSA-N 1 0 251.326 1.942 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000877548606 772910076 /nfs/dbraw/zinc/91/00/76/772910076.db2.gz NPIXPZVZXRGHBN-ZDUSSCGKSA-N 1 0 297.420 1.957 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000840975450 772927935 /nfs/dbraw/zinc/92/79/35/772927935.db2.gz NVQYXOJZFMZIDH-DOTOQJQBSA-N 1 0 292.423 1.708 20 10 CDCDRO CC[NH2+]CCNCc1cc(Br)ccc1O ZINC000841037719 772989652 /nfs/dbraw/zinc/98/96/52/772989652.db2.gz UCAZDFARTVHDOR-UHFFFAOYSA-N 1 0 273.174 1.854 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000726984198 773015175 /nfs/dbraw/zinc/01/51/75/773015175.db2.gz KKBNUQMQLBJAKR-UHFFFAOYSA-N 1 0 263.385 1.663 20 10 CDCDRO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1O)C1CC1 ZINC000790562975 773025680 /nfs/dbraw/zinc/02/56/80/773025680.db2.gz RVRULNGLWCRTQK-LLVKDONJSA-N 1 0 264.325 1.168 20 10 CDCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775805868 773028637 /nfs/dbraw/zinc/02/86/37/773028637.db2.gz UXUAHXBNWUFIMV-AWEZNQCLSA-N 1 0 277.412 1.563 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000702566580 773045248 /nfs/dbraw/zinc/04/52/48/773045248.db2.gz JWVHRPAEGDBOGW-CJNGLKHVSA-N 1 0 277.412 1.470 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1 ZINC000876739342 773052401 /nfs/dbraw/zinc/05/24/01/773052401.db2.gz OWBNBNPPAVWTLB-NWDGAFQWSA-N 1 0 285.409 1.954 20 10 CDCDRO CC[C@H](COC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776213556 773091272 /nfs/dbraw/zinc/09/12/72/773091272.db2.gz UEELGZCLJKHFGJ-LLVKDONJSA-N 1 0 269.341 1.924 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000876655076 773143366 /nfs/dbraw/zinc/14/33/66/773143366.db2.gz VMXMMJCIFGOEHG-GFCCVEGCSA-N 1 0 260.337 1.507 20 10 CDCDRO CCN(CC[NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000861582991 773152733 /nfs/dbraw/zinc/15/27/33/773152733.db2.gz LMZAIIOHQFVTTM-UHFFFAOYSA-N 1 0 278.400 1.551 20 10 CDCDRO CCc1cccc(C[N@H+](C)CC2(O)CCOCC2)c1O ZINC000848906486 773195440 /nfs/dbraw/zinc/19/54/40/773195440.db2.gz XBLUDGFRURXWGC-UHFFFAOYSA-N 1 0 279.380 1.928 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000831193136 773203100 /nfs/dbraw/zinc/20/31/00/773203100.db2.gz DFKCOTZVXFAKMQ-CQSZACIVSA-N 1 0 288.395 1.253 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)cc2)CC1 ZINC000858296851 773265778 /nfs/dbraw/zinc/26/57/78/773265778.db2.gz WUEKMLNXEJDZSV-WOVMCDHWSA-N 1 0 289.423 1.299 20 10 CDCDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000094797467 773353416 /nfs/dbraw/zinc/35/34/16/773353416.db2.gz QUBKRSIXIYZPCL-AWEZNQCLSA-N 1 0 265.309 1.780 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000710875440 773382493 /nfs/dbraw/zinc/38/24/93/773382493.db2.gz DBMZWPAVSLZWND-ZKYQVNSYSA-N 1 0 251.326 1.501 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000783734268 773383967 /nfs/dbraw/zinc/38/39/67/773383967.db2.gz KWVWVKHZBHNFTR-DOMZBBRYSA-N 1 0 263.337 1.605 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2ccc(OC)cc2O)cn1 ZINC000793386321 773438065 /nfs/dbraw/zinc/43/80/65/773438065.db2.gz LKOOFDZVENCJNE-UHFFFAOYSA-N 1 0 291.351 1.534 20 10 CDCDRO NC(=O)[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816499668 773461152 /nfs/dbraw/zinc/46/11/52/773461152.db2.gz WUOFPSOUTQBOMY-CQSZACIVSA-N 1 0 286.331 1.232 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779522574 773512292 /nfs/dbraw/zinc/51/22/92/773512292.db2.gz UVWDZBAVHYARLX-DIECRNLCSA-N 1 0 290.363 1.521 20 10 CDCDRO C[C@H](NC(=O)N1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841884246 773536087 /nfs/dbraw/zinc/53/60/87/773536087.db2.gz ZHOIXACVZDCTNE-LBPRGKRZSA-N 1 0 290.411 1.946 20 10 CDCDRO COc1ccc(O)c(CNC(=O)NC2CC[NH+](C)CC2)c1 ZINC000114582968 773596043 /nfs/dbraw/zinc/59/60/43/773596043.db2.gz YXSZITLPTAICIE-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO CN(CC[NH3+])C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831781 773672747 /nfs/dbraw/zinc/67/27/47/773672747.db2.gz FEQXNCKPDOXXOG-UHFFFAOYSA-N 1 0 274.368 1.163 20 10 CDCDRO COc1cccc(O)c1CN(C)C1CC[NH2+]CC1 ZINC000843046649 773727057 /nfs/dbraw/zinc/72/70/57/773727057.db2.gz XZOZWVMBLAQARJ-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO c1nnn([C@H]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)n1 ZINC001173742355 912775609 /nfs/dbraw/zinc/77/56/09/912775609.db2.gz OBJGVUWWQYTQNC-CABCVRRESA-N 1 0 299.378 1.882 20 10 CDCDRO Cc1ccc(C)c(CN2CCO[C@H](C[NH+](C)C)C2)c1O ZINC001140178580 895200943 /nfs/dbraw/zinc/20/09/43/895200943.db2.gz PJNYTVICZJGRSO-CQSZACIVSA-N 1 0 278.396 1.771 20 10 CDCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160914 899830788 /nfs/dbraw/zinc/83/07/88/899830788.db2.gz JIUCNRQLUKXIPM-NSHDSACASA-N 1 0 279.336 1.873 20 10 CDCDRO COc1ccc(C[NH2+]CCCCS(C)(=O)=O)cc1C ZINC000692840662 900607555 /nfs/dbraw/zinc/60/75/55/900607555.db2.gz CSQUZZJIHTZKKJ-UHFFFAOYSA-N 1 0 285.409 1.918 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(-n2nnc(CC[NH3+])n2)cc1 ZINC001167791291 900794503 /nfs/dbraw/zinc/79/45/03/900794503.db2.gz VGMLQVIFYUZHLI-UHFFFAOYSA-N 1 0 282.351 1.571 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC3(C2)OCCO3)c(O)c1 ZINC000093013816 904916726 /nfs/dbraw/zinc/91/67/26/904916726.db2.gz ZREZAWDDJZJTDT-UHFFFAOYSA-N 1 0 265.309 1.350 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCC2)c1 ZINC000697419264 907642738 /nfs/dbraw/zinc/64/27/38/907642738.db2.gz NTTUOFMRNQMXRY-NSHDSACASA-N 1 0 250.342 1.757 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956342 908834194 /nfs/dbraw/zinc/83/41/94/908834194.db2.gz CREDVZGCMYEMQJ-OAHLLOKOSA-N 1 0 290.411 1.547 20 10 CDCDRO COCCCNC(=O)C[N@H+](C)Cc1cccc(C)c1O ZINC000179619376 915268063 /nfs/dbraw/zinc/26/80/63/915268063.db2.gz IHHMFHGBDJWDGX-UHFFFAOYSA-N 1 0 280.368 1.285 20 10 CDCDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204280391 916619978 /nfs/dbraw/zinc/61/99/78/916619978.db2.gz KEMYMQOBLWLEEK-UHFFFAOYSA-N 1 0 278.308 1.172 20 10 CDCDRO Cc1cc(F)cc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1O ZINC001206443882 916888257 /nfs/dbraw/zinc/88/82/57/916888257.db2.gz ABXALNSYOPNPIM-RYUDHWBXSA-N 1 0 256.296 1.711 20 10 CDCDRO CCc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1O ZINC000692130145 918183205 /nfs/dbraw/zinc/18/32/05/918183205.db2.gz TUTPRPFNCRRCMG-UHFFFAOYSA-N 1 0 262.353 1.619 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCOC[C@H](O)C3)ccc21 ZINC001138354527 936525180 /nfs/dbraw/zinc/52/51/80/936525180.db2.gz MMUWWJOKOKWSJR-OAHLLOKOSA-N 1 0 276.380 1.262 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138356597 936525780 /nfs/dbraw/zinc/52/57/80/936525780.db2.gz RKQNHWCCKBDFSE-UHFFFAOYSA-N 1 0 289.423 1.979 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205247399 919396551 /nfs/dbraw/zinc/39/65/51/919396551.db2.gz GSAALAOGUWLCGJ-OAHLLOKOSA-N 1 0 264.369 1.376 20 10 CDCDRO Cc1cc(CN2CCOC[C@H]2C[NH+](C)C)ccc1N(C)C ZINC001139674101 936634846 /nfs/dbraw/zinc/63/48/46/936634846.db2.gz PKZNFRXNDYYMQS-MRXNPFEDSA-N 1 0 291.439 1.823 20 10 CDCDRO COC[C@H]1COCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140185222 936685416 /nfs/dbraw/zinc/68/54/16/936685416.db2.gz SPSWOALHWOMXQM-ZDUSSCGKSA-N 1 0 265.353 1.856 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)[C@H]1CCOC1 ZINC001140661779 936736586 /nfs/dbraw/zinc/73/65/86/936736586.db2.gz SJVXQPPUIXDGAE-HNNXBMFYSA-N 1 0 294.370 1.883 20 10 CDCDRO Cc1c(O)ccc(CN(C)CC[NH+]2CCCC2)c1O ZINC001140747687 936749409 /nfs/dbraw/zinc/74/94/09/936749409.db2.gz FOOYSMKXACBVJT-UHFFFAOYSA-N 1 0 264.369 1.934 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC001140748127 936749443 /nfs/dbraw/zinc/74/94/43/936749443.db2.gz RPFHSCTZWBIYQS-UHFFFAOYSA-N 1 0 292.335 1.481 20 10 CDCDRO Cc1ccc(C[N@H+](C)CCC2OCCO2)c(O)c1 ZINC001140950660 936783124 /nfs/dbraw/zinc/78/31/24/936783124.db2.gz AYVKJMUUCUDHSJ-UHFFFAOYSA-N 1 0 251.326 1.895 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140954787 936783594 /nfs/dbraw/zinc/78/35/94/936783594.db2.gz ZAIAPCBWFCYING-ZDUSSCGKSA-N 1 0 277.368 1.594 20 10 CDCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141144312 936819458 /nfs/dbraw/zinc/81/94/58/936819458.db2.gz ZDFDUQBPOCDHKC-GXTWGEPZSA-N 1 0 276.380 1.860 20 10 CDCDRO CN1CCOc2cc(C[N@H+]3CCc4nncn4CC3)ccc21 ZINC001141141295 936818482 /nfs/dbraw/zinc/81/84/82/936818482.db2.gz WQGJUMVDTYYCDB-UHFFFAOYSA-N 1 0 299.378 1.165 20 10 CDCDRO CN1CCOc2cc(CN3CC[NH+](C4CC4)CC3)ccc21 ZINC001141139756 936818811 /nfs/dbraw/zinc/81/88/11/936818811.db2.gz AVZDSYIORFUUEV-UHFFFAOYSA-N 1 0 287.407 1.795 20 10 CDCDRO COc1ccc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205764525 924851411 /nfs/dbraw/zinc/85/14/11/924851411.db2.gz WOJDBYAKCXCSIK-LLVKDONJSA-N 1 0 286.322 1.817 20 10 CDCDRO C[N@@H+](Cc1ccc(O)c(O)c1)CC1CCOCC1 ZINC001203874970 925111485 /nfs/dbraw/zinc/11/14/85/925111485.db2.gz FZTGMYQAOAIDQJ-UHFFFAOYSA-N 1 0 251.326 1.956 20 10 CDCDRO CCOCc1cc(CN[C@H](C)C[NH3+])ccc1OC ZINC000841060418 936973690 /nfs/dbraw/zinc/97/36/90/936973690.db2.gz YKQJJSFEUFZPER-LLVKDONJSA-N 1 0 252.358 1.669 20 10 CDCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(O)ccc2O)C1 ZINC001205831182 925369557 /nfs/dbraw/zinc/36/95/57/925369557.db2.gz WUGPZCIOAVVIGP-PWSUYJOCSA-N 1 0 250.342 1.657 20 10 CDCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC001119649359 925458359 /nfs/dbraw/zinc/45/83/59/925458359.db2.gz XIRBXMZOWHYEFO-CQSZACIVSA-N 1 0 292.379 1.979 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)cc1 ZINC001203931455 925655166 /nfs/dbraw/zinc/65/51/66/925655166.db2.gz QGHIDVXTVVUTKX-OAHLLOKOSA-N 1 0 280.412 1.706 20 10 CDCDRO C[N@H+](C1CN(Cc2cc(F)c(F)cc2O)C1)[C@H]1CCOC1 ZINC001142524769 937027373 /nfs/dbraw/zinc/02/73/73/937027373.db2.gz JQJWHTBUNJFQAH-NSHDSACASA-N 1 0 298.333 1.575 20 10 CDCDRO C[NH+](C)CCN1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142502040 937023561 /nfs/dbraw/zinc/02/35/61/937023561.db2.gz HCLCUJLRKXWSFI-UHFFFAOYSA-N 1 0 299.365 1.350 20 10 CDCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@H](O)CO ZINC001252075868 926297231 /nfs/dbraw/zinc/29/72/31/926297231.db2.gz YKYGZNBNAYXQDS-XHDPSFHLSA-N 1 0 279.380 1.575 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2O)CO1 ZINC001169351289 927955503 /nfs/dbraw/zinc/95/55/03/927955503.db2.gz MDLGUIREPKKQQE-UONOGXRCSA-N 1 0 293.363 1.901 20 10 CDCDRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001169576035 928194945 /nfs/dbraw/zinc/19/49/45/928194945.db2.gz GVOQGTQPZJEKOZ-ZDUSSCGKSA-N 1 0 278.352 1.241 20 10 CDCDRO CC(=O)N1CCC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001169626582 928250263 /nfs/dbraw/zinc/25/02/63/928250263.db2.gz SHXYDGGSFDJNEQ-CQSZACIVSA-N 1 0 274.364 1.761 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cccc(CC)c1O ZINC000691481129 928997670 /nfs/dbraw/zinc/99/76/70/928997670.db2.gz FWLBPUVMOGILGS-JTQLQIEISA-N 1 0 250.342 1.569 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ncccn2)c(O)c1 ZINC001144520183 931871274 /nfs/dbraw/zinc/87/12/74/931871274.db2.gz JWARLFDUJNJBJI-LBPRGKRZSA-N 1 0 287.319 1.931 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(O)c1 ZINC001144515688 931880716 /nfs/dbraw/zinc/88/07/16/931880716.db2.gz VTPSFLTZPFBPME-LAEOZQHASA-N 1 0 253.273 1.736 20 10 CDCDRO C[C@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC001155891756 937685575 /nfs/dbraw/zinc/68/55/75/937685575.db2.gz FHVYXXMJXIMPIC-CABZTGNLSA-N 1 0 289.339 1.671 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@H](C)O)C2)cc1 ZINC000076360856 934459399 /nfs/dbraw/zinc/45/93/99/934459399.db2.gz QSVCHWLWSAHBMC-QWHCGFSZSA-N 1 0 264.369 1.492 20 10 CDCDRO Nc1ccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001120592159 937814736 /nfs/dbraw/zinc/81/47/36/937814736.db2.gz QJPCNCBSVLUWAB-NWANDNLSSA-N 1 0 288.395 1.538 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)SC)cc1C ZINC001123948688 936254394 /nfs/dbraw/zinc/25/43/94/936254394.db2.gz CRJIFBFNTUDRJX-GFCCVEGCSA-N 1 0 296.436 1.961 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2cn[nH]c2)cc1C ZINC001124061602 936279272 /nfs/dbraw/zinc/27/92/72/936279272.db2.gz YQQSOMOCWGNROW-UHFFFAOYSA-N 1 0 288.351 1.246 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC3(CC([NH3+])C3)CC2)cc1 ZINC001158091696 938581846 /nfs/dbraw/zinc/58/18/46/938581846.db2.gz GYHGORZBMLTKKU-UHFFFAOYSA-N 1 0 273.380 1.541 20 10 CDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCc3cccc(O)c3C2)C1 ZINC001160872601 938835346 /nfs/dbraw/zinc/83/53/46/938835346.db2.gz MPWRMBUBHMKZGD-RISCZKNCSA-N 1 0 274.364 1.665 20 10 CDCDRO CC(=O)Nc1cc2c(cc1N(CCC[NH3+])C(C)C)OCO2 ZINC001164123053 939413687 /nfs/dbraw/zinc/41/36/87/939413687.db2.gz XRXQHLWHBIHTNY-UHFFFAOYSA-N 1 0 293.367 1.937 20 10 CDCDRO O=C1CCC2(CC[NH+](Cc3ccccc3O)CC2)N1 ZINC001203561764 939693257 /nfs/dbraw/zinc/69/32/57/939693257.db2.gz ZBXQUVWZUGZMHF-UHFFFAOYSA-N 1 0 260.337 1.637 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1O ZINC001203603078 939696064 /nfs/dbraw/zinc/69/60/64/939696064.db2.gz IVACDULXHNXELP-INIZCTEOSA-N 1 0 290.363 1.503 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC001203665520 939700211 /nfs/dbraw/zinc/70/02/11/939700211.db2.gz NOLCGQHTDGMMNI-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)O1 ZINC001203878835 939710821 /nfs/dbraw/zinc/71/08/21/939710821.db2.gz DGXAZJMVEXMPLW-OAHLLOKOSA-N 1 0 277.320 1.769 20 10 CDCDRO C[NH+](C)CCCN1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882952 939711293 /nfs/dbraw/zinc/71/12/93/939711293.db2.gz YINWINHJXLDFKW-UHFFFAOYSA-N 1 0 293.411 1.167 20 10 CDCDRO CC1(C(N)=O)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203881065 939711559 /nfs/dbraw/zinc/71/15/59/939711559.db2.gz DCXBERBFVWHDJQ-UHFFFAOYSA-N 1 0 264.325 1.185 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)cc1 ZINC001203930756 939714644 /nfs/dbraw/zinc/71/46/44/939714644.db2.gz HRJPNHONQFPIPZ-HOTGVXAUSA-N 1 0 278.396 1.318 20 10 CDCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204274300 939749932 /nfs/dbraw/zinc/74/99/32/939749932.db2.gz MWFDZVFKCUPSOH-NHAGDIPZSA-N 1 0 290.363 1.300 20 10 CDCDRO O=C1NCC[C@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204324570 939755222 /nfs/dbraw/zinc/75/52/22/939755222.db2.gz NCGAWQNPSUJWER-GOSISDBHSA-N 1 0 299.418 1.999 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)CC2)cc(O)c1O ZINC001204343427 939757246 /nfs/dbraw/zinc/75/72/46/939757246.db2.gz QAHRFMFSROHZJW-NSHDSACASA-N 1 0 267.325 1.453 20 10 CDCDRO [NH3+][C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1F ZINC001204825102 939794705 /nfs/dbraw/zinc/79/47/05/939794705.db2.gz ZUDOAVPYEPWYAB-CABCVRRESA-N 1 0 297.349 1.143 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1[NH3+] ZINC001206058574 939972591 /nfs/dbraw/zinc/97/25/91/939972591.db2.gz GXIOOBFYSKFWGC-CXAGYDPISA-N 1 0 289.423 1.427 20 10 CDCDRO CN1CCCc2cc(CN3C[C@H]([NH3+])C[C@H](F)C3)ccc21 ZINC001206414594 940034621 /nfs/dbraw/zinc/03/46/21/940034621.db2.gz NNGIMMQETKXGSU-LSDHHAIUSA-N 1 0 277.387 1.940 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(OC)c1 ZINC001206423569 940036477 /nfs/dbraw/zinc/03/64/77/940036477.db2.gz KWMRQBDBCJTOAX-UWVGGRQHSA-N 1 0 284.331 1.281 20 10 CDCDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC001219653218 941370969 /nfs/dbraw/zinc/37/09/69/941370969.db2.gz BJFOAVDWOZNOAZ-YPMHNXCESA-N 1 0 261.369 1.173 20 10 CDCDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC001219659334 941373152 /nfs/dbraw/zinc/37/31/52/941373152.db2.gz WDZBYOZLUPTUFH-NXEZZACHSA-N 1 0 264.325 1.073 20 10 CDCDRO CN(C)c1ccc(-c2nc(C(=O)NCC[NH3+])cs2)cc1 ZINC001219872393 941391665 /nfs/dbraw/zinc/39/16/65/941391665.db2.gz BRUZYDOVOVQPLA-UHFFFAOYSA-N 1 0 290.392 1.565 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CC(C)(C)C[NH3+] ZINC000721145981 942013400 /nfs/dbraw/zinc/01/34/00/942013400.db2.gz CJNMZFSNULDOEW-UHFFFAOYSA-N 1 0 250.342 1.726 20 10 CDCDRO CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3O)C[C@H]2C1 ZINC001231454285 942897833 /nfs/dbraw/zinc/89/78/33/942897833.db2.gz UFAUTECLUKEOAP-ZIAGYGMSSA-N 1 0 290.363 1.474 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)cc1O ZINC001231634208 942948033 /nfs/dbraw/zinc/94/80/33/942948033.db2.gz JJQITHPSNYRKSU-SKDRFNHKSA-N 1 0 271.288 1.011 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)cc1O ZINC001231634206 942950118 /nfs/dbraw/zinc/95/01/18/942950118.db2.gz JJQITHPSNYRKSU-CABZTGNLSA-N 1 0 271.288 1.011 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001231842832 943025881 /nfs/dbraw/zinc/02/58/81/943025881.db2.gz PZZUAYFOKBQHAJ-OCCSQVGLSA-N 1 0 265.353 1.184 20 10 CDCDRO Cc1cc(C)c(C[N@H+]2CCc3nncn3CC2)c(O)c1 ZINC001231843026 943027099 /nfs/dbraw/zinc/02/70/99/943027099.db2.gz SKLFLGPAWAUBKY-UHFFFAOYSA-N 1 0 272.352 1.659 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001232259889 943192997 /nfs/dbraw/zinc/19/29/97/943192997.db2.gz MSXMFCJNTNIHQZ-JVXZTZIISA-N 1 0 257.717 1.564 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC001232838316 943416289 /nfs/dbraw/zinc/41/62/89/943416289.db2.gz DPMRFVOBNGDPAB-UHFFFAOYSA-N 1 0 277.368 1.122 20 10 CDCDRO Oc1cc(C[N@H+]2CCC[C@H](O)CC2)cc(O)c1O ZINC001233009820 943460419 /nfs/dbraw/zinc/46/04/19/943460419.db2.gz CKDWXJRPMMDQDF-JTQLQIEISA-N 1 0 253.298 1.150 20 10 CDCDRO Oc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc(O)c1O ZINC001233011048 943461501 /nfs/dbraw/zinc/46/15/01/943461501.db2.gz YHQJJLULMJACIQ-FZMZJTMJSA-N 1 0 279.336 1.804 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(C)O ZINC001233010886 943461668 /nfs/dbraw/zinc/46/16/68/943461668.db2.gz WKSJYBQCDRRVMR-BONVTDFDSA-N 1 0 281.352 1.786 20 10 CDCDRO Oc1cc(C[N@@H+]2CCC3(C2)CCOCC3)cc(O)c1O ZINC001233011477 943462282 /nfs/dbraw/zinc/46/22/82/943462282.db2.gz AFLWUYCGSZFTCZ-UHFFFAOYSA-N 1 0 279.336 1.806 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1O ZINC001233482409 943591589 /nfs/dbraw/zinc/59/15/89/943591589.db2.gz MQDBGEPOWJYDKO-BONVTDFDSA-N 1 0 279.336 1.804 20 10 CDCDRO CC[NH+]1CCN(c2ccc(O[C@@H](C)CON)cc2)CC1 ZINC001234662358 943933477 /nfs/dbraw/zinc/93/34/77/943933477.db2.gz ZMSYWWCWWQVGCR-ZDUSSCGKSA-N 1 0 279.384 1.486 20 10 CDCDRO COC(=O)Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235082633 944047970 /nfs/dbraw/zinc/04/79/70/944047970.db2.gz WTUMDJBXTVDREF-ZIAGYGMSSA-N 1 0 290.363 1.044 20 10 CDCDRO CCOC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000386307783 944101419 /nfs/dbraw/zinc/10/14/19/944101419.db2.gz GPYAAMCCHWMDBM-ZDUSSCGKSA-N 1 0 251.326 1.109 20 10 CDCDRO Cc1cc(NS(=O)(=O)CC2CC[NH2+]CC2)ccc1O ZINC000722230209 944181675 /nfs/dbraw/zinc/18/16/75/944181675.db2.gz HORSZYBIIHJSNR-UHFFFAOYSA-N 1 0 284.381 1.442 20 10 CDCDRO CC[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1OC ZINC001235773626 944272485 /nfs/dbraw/zinc/27/24/85/944272485.db2.gz PCXPEAPPKVWQSG-CQSZACIVSA-N 1 0 277.412 1.945 20 10 CDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC001235983185 944346432 /nfs/dbraw/zinc/34/64/32/944346432.db2.gz YLPSOXWJGAQCOP-MFKMUULPSA-N 1 0 252.745 1.969 20 10 CDCDRO CCc1ccc(CN2CCN(C)C[C@@H]2C(=O)OC)c(O)c1 ZINC001236787140 944569422 /nfs/dbraw/zinc/56/94/22/944569422.db2.gz GWZMHZVQEWIIAA-CQSZACIVSA-N 1 0 292.379 1.244 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCCO1 ZINC001237494342 944815911 /nfs/dbraw/zinc/81/59/11/944815911.db2.gz HMKRENSJNPCADC-AWEZNQCLSA-N 1 0 279.336 1.465 20 10 CDCDRO COc1cc(C[NH+]2CC3(COC3)C2)c(O)c(OC)c1 ZINC001237675097 944920465 /nfs/dbraw/zinc/92/04/65/944920465.db2.gz SYCRSWDKQHWNMQ-UHFFFAOYSA-N 1 0 265.309 1.242 20 10 CDCDRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)cn1 ZINC001261276322 946031296 /nfs/dbraw/zinc/03/12/96/946031296.db2.gz DSGAJOAWCHRJFS-HIFRSBDPSA-N 1 0 298.390 1.982 20 10 CDCDRO Cn1ccc2c1ccnc2-c1cnn(C2C[NH2+]C2)c1 ZINC001241588916 946369534 /nfs/dbraw/zinc/36/95/34/946369534.db2.gz DPDQJZYTSWWFQH-UHFFFAOYSA-N 1 0 253.309 1.581 20 10 CDCDRO O=C(C[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1)c1ccc(O)c(O)c1 ZINC001254925873 947654383 /nfs/dbraw/zinc/65/43/83/947654383.db2.gz CKYIVLSPABFICI-QWRGUYRKSA-N 1 0 289.331 1.628 20 10 CDCDRO O=C1C[C@@H]2CC([NH2+]CCc3cc(O)c(O)cc3O)C[C@H]2C1 ZINC001254930539 947660256 /nfs/dbraw/zinc/66/02/56/947660256.db2.gz IGYZLBGQEIKQRW-QWRGUYRKSA-N 1 0 291.347 1.693 20 10 CDCDRO CN1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001255470528 947920187 /nfs/dbraw/zinc/92/01/87/947920187.db2.gz OLDNSDIOWPSRJD-LBPRGKRZSA-N 1 0 250.342 1.324 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001249173132 949442162 /nfs/dbraw/zinc/44/21/62/949442162.db2.gz QWKXKRHGMKAACR-FZMZJTMJSA-N 1 0 293.363 1.310 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC001249208371 949462487 /nfs/dbraw/zinc/46/24/87/949462487.db2.gz SFGVKAQXZTVKKP-GFCCVEGCSA-N 1 0 292.379 1.244 20 10 CDCDRO CC1(C)C=Cc2c(O)c(C[NH+]3CC(C(N)=O)C3)ccc2O1 ZINC001249252692 949484874 /nfs/dbraw/zinc/48/48/74/949484874.db2.gz RDHQKTXMXARQRN-UHFFFAOYSA-N 1 0 288.347 1.494 20 10 CDCDRO COc1cccc([C@H](O)C[NH2+]Cc2ccc(O)cc2O)c1 ZINC001250730600 950332833 /nfs/dbraw/zinc/33/28/33/950332833.db2.gz LWVMRNGWAJSDSJ-MRXNPFEDSA-N 1 0 289.331 1.930 20 10 CDCDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001306056866 956300115 /nfs/dbraw/zinc/30/01/15/956300115.db2.gz MNHOHSJSLZUWGN-GFCCVEGCSA-N 1 0 278.352 1.193 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C(C)(C)O ZINC001307500785 956413103 /nfs/dbraw/zinc/41/31/03/956413103.db2.gz GJYHYEBSDREUAV-CQSZACIVSA-N 1 0 267.369 1.736 20 10 CDCDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001308306173 956515008 /nfs/dbraw/zinc/51/50/08/956515008.db2.gz KFPXWHDHHOSLKC-CQSZACIVSA-N 1 0 291.395 1.897 20 10 CDCDRO CN1CCN(c2ccc(C[NH2+]C3(C)COC3)cc2F)CC1 ZINC001330652941 956542033 /nfs/dbraw/zinc/54/20/33/956542033.db2.gz SXTXTAJDXWULSG-UHFFFAOYSA-N 1 0 293.386 1.456 20 10 CDCDRO CC(C)[C@H]([NH3+])CCNC(=O)N1Cc2cccc(O)c2C1 ZINC001331888649 957318515 /nfs/dbraw/zinc/31/85/15/957318515.db2.gz FHYWUCHCPCGWQY-CYBMUJFWSA-N 1 0 277.368 1.791 20 10 CDCDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1ccccc1O ZINC001320137183 958965151 /nfs/dbraw/zinc/96/51/51/958965151.db2.gz LMTOSMVLHCIQRZ-ZDUSSCGKSA-N 1 0 278.396 1.747 20 10 CDCDRO Nc1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC001335725971 959992762 /nfs/dbraw/zinc/99/27/62/959992762.db2.gz PCEKFZBGRQLUMI-UHFFFAOYSA-N 1 0 274.368 1.330 20 10 CDCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336117504 960209901 /nfs/dbraw/zinc/20/99/01/960209901.db2.gz NZDHHSCHYLCYEI-CQSZACIVSA-N 1 0 264.369 1.754 20 10 CDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323759461 960957057 /nfs/dbraw/zinc/95/70/57/960957057.db2.gz IVHFCERZJPDBJB-HNNXBMFYSA-N 1 0 287.407 1.984 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC001343391379 963966060 /nfs/dbraw/zinc/96/60/60/963966060.db2.gz IBCTWYZPPXEVPH-UHFFFAOYSA-N 1 0 287.407 1.901 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001344820650 964445186 /nfs/dbraw/zinc/44/51/86/964445186.db2.gz BHDSMHSUNNPGQF-CABZTGNLSA-N 1 0 266.316 1.536 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@H](CC[NH3+])C2)cc1 ZINC001346738989 965235164 /nfs/dbraw/zinc/23/51/64/965235164.db2.gz LJHRMFMXZMAVPM-LBPRGKRZSA-N 1 0 262.357 1.149 20 10 CDCDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(N)cc1 ZINC001355270732 969107380 /nfs/dbraw/zinc/10/73/80/969107380.db2.gz WMXPXNZMKUKBMQ-MRXNPFEDSA-N 1 0 289.423 2.000 20 10 CDCDRO CC[C@@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1ccccc1O ZINC001603585428 973750726 /nfs/dbraw/zinc/75/07/26/973750726.db2.gz DLVFUCXWNMZWEA-CQSZACIVSA-N 1 0 292.379 1.982 20 10 CDCDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(N)cc1 ZINC001577336848 1171646059 /nfs/dbraw/zinc/64/60/59/1171646059.db2.gz XXZCTNZMBGFTFX-LBPRGKRZSA-N 1 0 263.385 1.911 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000180829481 357290239 /nfs/dbraw/zinc/29/02/39/357290239.db2.gz LTUUVDDESXPPSX-LBPRGKRZSA-N 1 0 257.330 1.489 20 10 CDCDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[N@H+](C)C1CC1 ZINC000181029817 357304417 /nfs/dbraw/zinc/30/44/17/357304417.db2.gz YSDMKGYLYUXTBF-SOZJPDODSA-N 1 0 290.363 1.710 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000180327034 357262217 /nfs/dbraw/zinc/26/22/17/357262217.db2.gz LCPOHRTUOSQOPM-ZDUSSCGKSA-N 1 0 251.326 1.548 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(O)C2)c1 ZINC000180377472 357265971 /nfs/dbraw/zinc/26/59/71/357265971.db2.gz DDGBCKLJRSAALN-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)O)c1O ZINC000187820363 357811286 /nfs/dbraw/zinc/81/12/86/357811286.db2.gz QGROARIKCMNXSX-MRVPVSSYSA-N 1 0 259.733 1.867 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c(O)c1 ZINC000294459234 199048646 /nfs/dbraw/zinc/04/86/46/199048646.db2.gz WCSALJUXPZPOMH-XQQFMLRXSA-N 1 0 265.353 1.891 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c(O)c1 ZINC000294721091 199150968 /nfs/dbraw/zinc/15/09/68/199150968.db2.gz AWSWOUZRJJEYQQ-TXEJJXNPSA-N 1 0 251.326 1.794 20 10 CDCDRO C[C@H](CCCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000294884331 199230588 /nfs/dbraw/zinc/23/05/88/199230588.db2.gz VVHMOVUTZQNYOJ-SNVBAGLBSA-N 1 0 267.325 1.619 20 10 CDCDRO Oc1ccccc1C[NH2+]CCN1CCSCC1 ZINC000226247875 359669039 /nfs/dbraw/zinc/66/90/39/359669039.db2.gz JPBWVKNKQFJBKS-UHFFFAOYSA-N 1 0 252.383 1.531 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C1CC[NH+](C)CC1 ZINC000269157450 364148535 /nfs/dbraw/zinc/14/85/35/364148535.db2.gz RCJYTDNAQLGTIL-UHFFFAOYSA-N 1 0 262.353 1.692 20 10 CDCDRO c1cc(C[NH2+]CCN2CCSCC2)cc2c1OCC2 ZINC000226247288 367360941 /nfs/dbraw/zinc/36/09/41/367360941.db2.gz DYEMWDIGTXPXKK-UHFFFAOYSA-N 1 0 278.421 1.760 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2cccc(C)c2O)cn1 ZINC000282266099 367804233 /nfs/dbraw/zinc/80/42/33/367804233.db2.gz DCMKOADZOPORIW-UHFFFAOYSA-N 1 0 275.352 1.833 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C(=O)NCCF)cc1C ZINC000282728632 368010177 /nfs/dbraw/zinc/01/01/77/368010177.db2.gz QUMJMVNNVFNUBA-LLVKDONJSA-N 1 0 268.332 1.567 20 10 CDCDRO CCOC[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000529666802 368086967 /nfs/dbraw/zinc/08/69/67/368086967.db2.gz OEDUEMRESBQKHG-CYBMUJFWSA-N 1 0 251.326 1.630 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)nn2C)c1 ZINC000284234973 368506361 /nfs/dbraw/zinc/50/63/61/368506361.db2.gz DRZRDTLAGDQUDN-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO CCOc1cccc(C[NH2+]CCC2(O)CCOCC2)c1O ZINC000285666981 368649618 /nfs/dbraw/zinc/64/96/18/368649618.db2.gz ZJUUKRMBHGJCGG-UHFFFAOYSA-N 1 0 295.379 1.812 20 10 CDCDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccco1 ZINC000295773875 371449349 /nfs/dbraw/zinc/44/93/49/371449349.db2.gz ALZUMPDJZGJWBB-GFCCVEGCSA-N 1 0 286.331 1.992 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093361174 390902011 /nfs/dbraw/zinc/90/20/11/390902011.db2.gz NZNRXDVFWFHBNM-LBPRGKRZSA-N 1 0 262.353 1.659 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCCC(=O)NC)c1O ZINC000093717681 390903799 /nfs/dbraw/zinc/90/37/99/390903799.db2.gz IWPVEPRMHLFHCR-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO CCC[N@H+](CCOCCO)Cc1ccccc1O ZINC000132726974 390933087 /nfs/dbraw/zinc/93/30/87/390933087.db2.gz YNUPSLMIGLCPCO-UHFFFAOYSA-N 1 0 253.342 1.613 20 10 CDCDRO O=C(C[NH2+]CC1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000178710850 391190592 /nfs/dbraw/zinc/19/05/92/391190592.db2.gz ZXSNVBOUPKLAKZ-UHFFFAOYSA-N 1 0 287.407 1.903 20 10 CDCDRO C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccccc1O ZINC000183490857 391266233 /nfs/dbraw/zinc/26/62/33/391266233.db2.gz COGIFMUKGFIWFR-CYBMUJFWSA-N 1 0 291.395 1.207 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C2(CO)CCOCC2)cc1 ZINC000193579213 391342229 /nfs/dbraw/zinc/34/22/29/391342229.db2.gz AZGCXFFVHVNNMA-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000038083086 174092550 /nfs/dbraw/zinc/09/25/50/174092550.db2.gz WBJCQHBRPRVNAX-NWDGAFQWSA-N 1 0 283.393 1.786 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000051994808 260210342 /nfs/dbraw/zinc/21/03/42/260210342.db2.gz OFUUQZOZBPWCMX-TZMCWYRMSA-N 1 0 251.326 1.794 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(C)(=O)=O)cc1 ZINC000164780746 261358600 /nfs/dbraw/zinc/35/86/00/261358600.db2.gz MWZCPNDHXYKHNC-LBPRGKRZSA-N 1 0 284.425 1.838 20 10 CDCDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000178513632 261396808 /nfs/dbraw/zinc/39/68/08/261396808.db2.gz JPQUPTIZQIYLSI-GFCCVEGCSA-N 1 0 263.385 1.929 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000195171492 262247672 /nfs/dbraw/zinc/24/76/72/262247672.db2.gz YTCMOHMVRZNVSG-OAHLLOKOSA-N 1 0 273.380 1.655 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370783421 276885246 /nfs/dbraw/zinc/88/52/46/276885246.db2.gz YEVJEUQXKXGBMK-OAHLLOKOSA-N 1 0 293.342 1.180 20 10 CDCDRO C[C@H](C[NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000054344776 278180117 /nfs/dbraw/zinc/18/01/17/278180117.db2.gz MBEWHEYPWFNRBK-CYBMUJFWSA-N 1 0 291.395 1.076 20 10 CDCDRO C[C@H](C[NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000286128269 279285130 /nfs/dbraw/zinc/28/51/30/279285130.db2.gz OTPFBFBKZMRYPQ-SNVBAGLBSA-N 1 0 263.341 1.073 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](CO)C(C)C)c1O ZINC000092393527 327193734 /nfs/dbraw/zinc/19/37/34/327193734.db2.gz KYLATGSAWLWZFS-GFCCVEGCSA-N 1 0 253.342 1.897 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000230663293 333320093 /nfs/dbraw/zinc/32/00/93/333320093.db2.gz SZIVGHUJBGDCRM-GHMZBOCLSA-N 1 0 269.341 1.449 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000036794271 521368444 /nfs/dbraw/zinc/36/84/44/521368444.db2.gz MSQMLFWOLGPNAJ-JTQLQIEISA-N 1 0 266.341 1.357 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2cc(C)ccc2O)C1 ZINC000277809737 521652815 /nfs/dbraw/zinc/65/28/15/521652815.db2.gz YTUNNEYHSWIGMZ-UHFFFAOYSA-N 1 0 265.353 1.720 20 10 CDCDRO CCC[N@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000264678265 521661502 /nfs/dbraw/zinc/66/15/02/521661502.db2.gz BJLHODICLGGHQL-UHFFFAOYSA-N 1 0 278.396 1.936 20 10 CDCDRO CN(C)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000128098088 521881457 /nfs/dbraw/zinc/88/14/57/521881457.db2.gz DZJPXFPQMZCVDF-INIZCTEOSA-N 1 0 277.412 1.515 20 10 CDCDRO CC[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(C)cc1O ZINC000279983209 522598537 /nfs/dbraw/zinc/59/85/37/522598537.db2.gz DTRKKJBNTGPDGU-LBPRGKRZSA-N 1 0 271.382 1.786 20 10 CDCDRO CC[C@@H]([NH2+]CCOCCO)c1ccc(C)cc1O ZINC000279949997 522838007 /nfs/dbraw/zinc/83/80/07/522838007.db2.gz BSIXWMYOESWFLP-CYBMUJFWSA-N 1 0 253.342 1.750 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccccc1O ZINC000274878193 522865009 /nfs/dbraw/zinc/86/50/09/522865009.db2.gz HANRRHPEPQRAKC-HIFRSBDPSA-N 1 0 275.352 1.900 20 10 CDCDRO CN(C[C@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000289402720 523093176 /nfs/dbraw/zinc/09/31/76/523093176.db2.gz SVOFWSBNHZFZSJ-CYBMUJFWSA-N 1 0 278.352 1.307 20 10 CDCDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000279474202 523966523 /nfs/dbraw/zinc/96/65/23/523966523.db2.gz SOMYERDYJDSOGS-GXSJLCMTSA-N 1 0 293.319 1.552 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COC[C@@H]2OC)c1 ZINC000290022632 524775620 /nfs/dbraw/zinc/77/56/20/524775620.db2.gz CJVGDUOKCVJHBI-WFBYXXMGSA-N 1 0 267.325 1.465 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000277031941 525001441 /nfs/dbraw/zinc/00/14/41/525001441.db2.gz IYBMWSKEYBBIDN-CHWSQXEVSA-N 1 0 291.395 1.123 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCCn2cc(CO)nn2)c(O)c1 ZINC000289670752 525919452 /nfs/dbraw/zinc/91/94/52/525919452.db2.gz HEYCQJFEGCCTEW-LBPRGKRZSA-N 1 0 290.367 1.525 20 10 CDCDRO Cc1cc(C(=O)N(C)[C@H](C)C[NH3+])c(C)n1-c1ccccn1 ZINC000237636774 526226843 /nfs/dbraw/zinc/22/68/43/526226843.db2.gz YBIZLXJXPJQLMG-GFCCVEGCSA-N 1 0 286.379 1.908 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1ccccc1)OCO2 ZINC000042879725 526336339 /nfs/dbraw/zinc/33/63/39/526336339.db2.gz FMOFTYDDSWGDLN-AWEZNQCLSA-N 1 0 287.315 1.944 20 10 CDCDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)[C@H]1CCOC1 ZINC000280443721 527606501 /nfs/dbraw/zinc/60/65/01/527606501.db2.gz CUYBVYUFPQLSBZ-JQWIXIFHSA-N 1 0 269.316 1.266 20 10 CDCDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000765979153 575091678 /nfs/dbraw/zinc/09/16/78/575091678.db2.gz IXVMSUIKINEGAO-ZDUSSCGKSA-N 1 0 296.436 1.810 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000769455002 575369742 /nfs/dbraw/zinc/36/97/42/575369742.db2.gz DDVAIASVZVRHIM-NSHDSACASA-N 1 0 251.326 1.869 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770751728 575495010 /nfs/dbraw/zinc/49/50/10/575495010.db2.gz AOYONOIIEPLJEZ-MLGOLLRUSA-N 1 0 293.363 1.829 20 10 CDCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1O ZINC000769365135 576348526 /nfs/dbraw/zinc/34/85/26/576348526.db2.gz NGVMZBUNRDBKAJ-RYUDHWBXSA-N 1 0 262.353 1.881 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c(O)c1 ZINC000769402932 576352083 /nfs/dbraw/zinc/35/20/83/576352083.db2.gz FAJSSMXBQFGOBT-CYBMUJFWSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cccc(O)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000769443339 576354255 /nfs/dbraw/zinc/35/42/55/576354255.db2.gz XFQWXWZWBPKUJC-WCQYABFASA-N 1 0 262.353 1.585 20 10 CDCDRO OCC[C@@H]([NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000763468431 576737985 /nfs/dbraw/zinc/73/79/85/576737985.db2.gz YXHFUWZUSSXHLA-CQSZACIVSA-N 1 0 265.353 1.659 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000820141791 598161640 /nfs/dbraw/zinc/16/16/40/598161640.db2.gz IHULAUOLMJGCGO-LBPRGKRZSA-N 1 0 277.368 1.001 20 10 CDCDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892078840 617465790 /nfs/dbraw/zinc/46/57/90/617465790.db2.gz TUODXNMVRRYFJX-GXFFZTMASA-N 1 0 275.352 1.415 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC000892098322 617479748 /nfs/dbraw/zinc/47/97/48/617479748.db2.gz ZSZGUEZAQKWUCE-JQWIXIFHSA-N 1 0 275.352 1.558 20 10 CDCDRO CN(C)c1ccc(CNc2cc[nH+]cc2CO)cc1 ZINC000891579250 617487738 /nfs/dbraw/zinc/48/77/38/617487738.db2.gz VUZCDPXYHHWGBE-UHFFFAOYSA-N 1 0 257.337 1.674 20 10 CDCDRO COc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)c(O)c1OC ZINC000893264904 617502073 /nfs/dbraw/zinc/50/20/73/617502073.db2.gz NLKMUDKMOGJYHN-SECBINFHSA-N 1 0 269.341 1.658 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891716941 617552285 /nfs/dbraw/zinc/55/22/85/617552285.db2.gz BJDQTUXFNMETOQ-SNVBAGLBSA-N 1 0 297.351 1.650 20 10 CDCDRO CC[C@](C)(CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893324757 617572861 /nfs/dbraw/zinc/57/28/61/617572861.db2.gz YIQTYYSLXPLBTP-CQSZACIVSA-N 1 0 269.341 1.660 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000840977132 617980457 /nfs/dbraw/zinc/98/04/57/617980457.db2.gz SCPQKPBQZBHFMK-ZDUSSCGKSA-N 1 0 287.411 1.910 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000892305799 617729996 /nfs/dbraw/zinc/72/99/96/617729996.db2.gz MCOXDUPHQQCBDF-JBLDHEPKSA-N 1 0 263.341 1.503 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)c(O)c1OC ZINC000893100757 618169130 /nfs/dbraw/zinc/16/91/30/618169130.db2.gz WDTNGVZUYXXKMD-LLVKDONJSA-N 1 0 294.351 1.120 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894281467 618452128 /nfs/dbraw/zinc/45/21/28/618452128.db2.gz VIMKWUKOABGVLT-GFCCVEGCSA-N 1 0 269.341 1.196 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cc[nH]n2)cc1 ZINC000841044326 618678640 /nfs/dbraw/zinc/67/86/40/618678640.db2.gz VZHCFSVZHGVYLP-CQSZACIVSA-N 1 0 259.357 1.265 20 10 CDCDRO COC[C@@]1(CNCc2cccc(C)c2O)CCC[NH2+]1 ZINC000841066947 618680188 /nfs/dbraw/zinc/68/01/88/618680188.db2.gz HDCWECWOHHAJOU-HNNXBMFYSA-N 1 0 264.369 1.559 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@](C)(CO)C2CC2)c1O ZINC000894399767 618857656 /nfs/dbraw/zinc/85/76/56/618857656.db2.gz JGVPMSYYBZPHGR-OAHLLOKOSA-N 1 0 265.353 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC000894443900 618888756 /nfs/dbraw/zinc/88/87/56/618888756.db2.gz HVFYAJQKWAMBQS-MLCYQJTMSA-N 1 0 271.382 1.566 20 10 CDCDRO COc1ccc(CN[C@@H](C)c2nnc(C)[nH]2)c(O)c1OC ZINC000894466823 618903108 /nfs/dbraw/zinc/90/31/08/618903108.db2.gz FDKQLFXTIOTMCW-QMMMGPOBSA-N 1 0 292.339 1.687 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000894967739 619166336 /nfs/dbraw/zinc/16/63/36/619166336.db2.gz QUDUTHMVHXXJFP-HNNXBMFYSA-N 1 0 278.352 1.468 20 10 CDCDRO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(O)c1 ZINC000895123552 619317479 /nfs/dbraw/zinc/31/74/79/619317479.db2.gz YMDXJKMWBXPYIQ-IJLUTSLNSA-N 1 0 262.353 1.798 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(O)c1 ZINC000896377278 620078848 /nfs/dbraw/zinc/07/88/48/620078848.db2.gz HNISUMBLLCNFQU-CYBMUJFWSA-N 1 0 263.337 1.895 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2COC[C@@H]2C)cc1OC ZINC000896738092 620218867 /nfs/dbraw/zinc/21/88/67/620218867.db2.gz YEZKPDIRXZYPTH-ONGXEEELSA-N 1 0 267.325 1.534 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000897200065 620413362 /nfs/dbraw/zinc/41/33/62/620413362.db2.gz PRMMLAZOCJXNIL-CYBMUJFWSA-N 1 0 281.352 1.604 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000897357024 620573084 /nfs/dbraw/zinc/57/30/84/620573084.db2.gz DKKHNYXRLDSZFD-JLIMDTESSA-N 1 0 271.744 1.915 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841937153 620603073 /nfs/dbraw/zinc/60/30/73/620603073.db2.gz NYXRACIBNXARGU-LBPRGKRZSA-N 1 0 263.341 1.286 20 10 CDCDRO O[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000898206882 621363307 /nfs/dbraw/zinc/36/33/07/621363307.db2.gz XWOBOLOCOUIRAV-KRWDZBQOSA-N 1 0 290.407 1.774 20 10 CDCDRO CN(Cc1cn(C2CC2)nn1)Cc1ccccc1O ZINC000906275662 627164488 /nfs/dbraw/zinc/16/44/88/627164488.db2.gz CHSJZPZDSOXJKP-UHFFFAOYSA-N 1 0 258.325 1.951 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H]1[NH3+] ZINC001206065175 1162827662 /nfs/dbraw/zinc/82/76/62/1162827662.db2.gz PNSZNZMTYJIEPG-MLGOLLRUSA-N 1 0 293.386 1.441 20 10 CDCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC000393893325 1159508487 /nfs/dbraw/zinc/50/84/87/1159508487.db2.gz YVUFJXFUINHWLQ-INIZCTEOSA-N 1 0 276.380 1.528 20 10 CDCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)CN1 ZINC000398434944 1160107230 /nfs/dbraw/zinc/10/72/30/1160107230.db2.gz FWRZFYYEBLHTOJ-CQSZACIVSA-N 1 0 273.380 1.513 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2OCCO2)c1 ZINC000125446609 1165734151 /nfs/dbraw/zinc/73/41/51/1165734151.db2.gz NMCFDWRNIIGYFP-SNVBAGLBSA-N 1 0 267.325 1.814 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000044989786 1166241001 /nfs/dbraw/zinc/24/10/01/1166241001.db2.gz RRZJMCQIAZXETG-UHFFFAOYSA-N 1 0 261.369 1.513 20 10 CDCDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001576532111 1171448545 /nfs/dbraw/zinc/44/85/45/1171448545.db2.gz ZFPIQGHZJDYADW-NHYWBVRUSA-N 1 0 278.352 1.622 20 10 CDCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])nc1 ZINC001578368904 1171886903 /nfs/dbraw/zinc/88/69/03/1171886903.db2.gz WVKQQHZMVZLDBV-VIFPVBQESA-N 1 0 262.269 1.000 20 10 CDCDRO CN(C)c1ccc(/C=C\CNC[C@]2(O)CC[NH2+]C2)cc1 ZINC001578425862 1171906576 /nfs/dbraw/zinc/90/65/76/1171906576.db2.gz PPCYEJATVQIHQD-MJSXRHKHSA-N 1 0 275.396 1.080 20 10 CDCDRO COC[C@]1(C(=O)NCc2cccc(Cl)c2O)CC[NH2+]C1 ZINC001578976875 1172064371 /nfs/dbraw/zinc/06/43/71/1172064371.db2.gz LCDQOIGYHOQPBM-AWEZNQCLSA-N 1 0 298.770 1.288 20 10 CDCDRO NC(=O)COc1ccc(C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001580094029 1172346859 /nfs/dbraw/zinc/34/68/59/1172346859.db2.gz NMNJZPKQYPCUMZ-UHFFFAOYSA-N 1 0 285.347 1.423 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(O)c1 ZINC000153939802 1178138557 /nfs/dbraw/zinc/13/85/57/1178138557.db2.gz PTDJPJVHHLCQNK-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(Cl)cc1O ZINC000841757706 777875455 /nfs/dbraw/zinc/87/54/55/777875455.db2.gz PNFUXXMTUGXDER-NYRNMGCKSA-N 1 0 257.717 1.456 20 10 CDCDRO Cc1cc(C[N@H+](C)CC(N)=O)ccc1N1CCCCC1 ZINC000827406424 773737972 /nfs/dbraw/zinc/73/79/72/773737972.db2.gz KRTUAFNELJBUFK-UHFFFAOYSA-N 1 0 275.396 1.902 20 10 CDCDRO COc1ccccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000037874578 773778938 /nfs/dbraw/zinc/77/89/38/773778938.db2.gz CXCVHDKMSBUGPX-LBPRGKRZSA-N 1 0 250.342 1.564 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000877130235 773781117 /nfs/dbraw/zinc/78/11/17/773781117.db2.gz KNVXBABUQDYTKV-DOMZBBRYSA-N 1 0 292.379 1.426 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CNC(=O)C2)cc1F ZINC000858176530 773787190 /nfs/dbraw/zinc/78/71/90/773787190.db2.gz AMUIGNILQLNLOY-SECBINFHSA-N 1 0 283.322 1.257 20 10 CDCDRO Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(O)c1 ZINC000876686938 773866455 /nfs/dbraw/zinc/86/64/55/773866455.db2.gz CDAGDVGROJKUER-CVEARBPZSA-N 1 0 290.407 1.732 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000841054794 773892898 /nfs/dbraw/zinc/89/28/98/773892898.db2.gz HTZYACIBFMNSMP-QWRGUYRKSA-N 1 0 250.342 1.760 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000872792678 773897640 /nfs/dbraw/zinc/89/76/40/773897640.db2.gz XQTURZMZSXQBHV-UHFFFAOYSA-N 1 0 292.379 1.899 20 10 CDCDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc(O)c1O ZINC000836947780 773921466 /nfs/dbraw/zinc/92/14/66/773921466.db2.gz LVHPQANLTMZZRP-LLVKDONJSA-N 1 0 278.352 1.654 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCC(C)(C)[NH3+] ZINC000841951632 773946990 /nfs/dbraw/zinc/94/69/90/773946990.db2.gz WCBJWGDNYUUWCQ-UHFFFAOYSA-N 1 0 251.330 1.271 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000921999172 774000390 /nfs/dbraw/zinc/00/03/90/774000390.db2.gz IQIPZOCCALYBSY-MRXNPFEDSA-N 1 0 277.364 1.907 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846696346 774039307 /nfs/dbraw/zinc/03/93/07/774039307.db2.gz FNQYJNUCLAAPJS-ZDUSSCGKSA-N 1 0 293.411 1.445 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000846166670 774046264 /nfs/dbraw/zinc/04/62/64/774046264.db2.gz ZLBIPFJYUNHNGO-XHDPSFHLSA-N 1 0 280.368 1.118 20 10 CDCDRO CN(CC(C)(C)[NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000851663155 774127441 /nfs/dbraw/zinc/12/74/41/774127441.db2.gz UWMKIXIONKFOMD-UHFFFAOYSA-N 1 0 264.373 1.190 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1cc(OC)c(OC)cc1O ZINC000775652208 774136493 /nfs/dbraw/zinc/13/64/93/774136493.db2.gz IIDLKQRYJUELJN-UHFFFAOYSA-N 1 0 296.367 1.320 20 10 CDCDRO C[NH2+]CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882678 774199761 /nfs/dbraw/zinc/19/97/61/774199761.db2.gz MNWVZZKPRKSHTM-NSHDSACASA-N 1 0 264.373 1.332 20 10 CDCDRO CCS(=O)(=O)NCCC[NH2+][C@H](C)c1ccccc1O ZINC000879649321 774265675 /nfs/dbraw/zinc/26/56/75/774265675.db2.gz NEJYJNXCJCFDCO-LLVKDONJSA-N 1 0 286.397 1.372 20 10 CDCDRO CCOc1ccc(CN(C)CC[NH+](C)C)c(O)c1 ZINC000809729402 774304548 /nfs/dbraw/zinc/30/45/48/774304548.db2.gz HGTPMZWQRJRDSD-UHFFFAOYSA-N 1 0 252.358 1.784 20 10 CDCDRO [NH3+]CC1(O)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000841106527 774308507 /nfs/dbraw/zinc/30/85/07/774308507.db2.gz BHPNDIMSHNXHBD-UHFFFAOYSA-N 1 0 288.750 1.470 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(c3nccn3C)CC2)c1O ZINC000827885054 774323958 /nfs/dbraw/zinc/32/39/58/774323958.db2.gz PDVZVDAQDVNQKP-UHFFFAOYSA-N 1 0 286.379 1.756 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835071942 774343643 /nfs/dbraw/zinc/34/36/43/774343643.db2.gz AGLJCRDYRVIQOQ-UONOGXRCSA-N 1 0 274.364 1.944 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000389538337 774387850 /nfs/dbraw/zinc/38/78/50/774387850.db2.gz AVFUUGNKXMIVNQ-ZDUSSCGKSA-N 1 0 262.357 1.875 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c1O ZINC000846139532 774414172 /nfs/dbraw/zinc/41/41/72/774414172.db2.gz UVMMOBUQUBIDNN-PWSUYJOCSA-N 1 0 278.352 1.720 20 10 CDCDRO Cc1cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1N(C)C ZINC000839635239 774414933 /nfs/dbraw/zinc/41/49/33/774414933.db2.gz FJUFQTSHUWZCBM-HNNXBMFYSA-N 1 0 289.423 1.971 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922010318 774415469 /nfs/dbraw/zinc/41/54/69/774415469.db2.gz RVXHHXCDVHOJTO-UHFFFAOYSA-N 1 0 278.396 1.415 20 10 CDCDRO COc1ccc(C[NH2+]C(C)(C)CO)cc1Cn1cccn1 ZINC000873048541 774586615 /nfs/dbraw/zinc/58/66/15/774586615.db2.gz DDCXOSFBRATYTP-UHFFFAOYSA-N 1 0 289.379 1.801 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccccc1O ZINC000839196350 774709417 /nfs/dbraw/zinc/70/94/17/774709417.db2.gz UXTUDYDDUFUUPT-BZPMIXESSA-N 1 0 251.326 1.847 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000923522184 774725698 /nfs/dbraw/zinc/72/56/98/774725698.db2.gz WSJCJEUXYUPOCM-WCQYABFASA-N 1 0 292.354 1.775 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1O ZINC000190050897 774801606 /nfs/dbraw/zinc/80/16/06/774801606.db2.gz FJSQIGRGRFPAFQ-ONGXEEELSA-N 1 0 265.309 1.324 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000092134180 774824452 /nfs/dbraw/zinc/82/44/52/774824452.db2.gz KVUITZCDJRJOOE-GFCCVEGCSA-N 1 0 263.385 1.567 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1[NH3+] ZINC000841760455 774833039 /nfs/dbraw/zinc/83/30/39/774833039.db2.gz KTNQEOZJWWHTMF-ZWNOBZJWSA-N 1 0 294.374 1.380 20 10 CDCDRO C[N@H+](CCCCNC(=O)c1cccc(O)c1O)C1CC1 ZINC000837226049 774840858 /nfs/dbraw/zinc/84/08/58/774840858.db2.gz ZCJVLVXHOIXZCV-UHFFFAOYSA-N 1 0 278.352 1.702 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COC[C@H]2C)c1 ZINC000922641589 774842759 /nfs/dbraw/zinc/84/27/59/774842759.db2.gz PCHRTVNFHYWRII-MFKMUULPSA-N 1 0 251.326 1.915 20 10 CDCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](O)C1)OCO2 ZINC000007011660 774885110 /nfs/dbraw/zinc/88/51/10/774885110.db2.gz LYQDAXMUUFVWTA-SNVBAGLBSA-N 1 0 251.282 1.078 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000843120779 774888404 /nfs/dbraw/zinc/88/84/04/774888404.db2.gz ULJAITDEFUAJDR-CZUORRHYSA-N 1 0 275.396 1.302 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000877031081 774981575 /nfs/dbraw/zinc/98/15/75/774981575.db2.gz LWXKYYBNWXUHPO-AWEZNQCLSA-N 1 0 275.396 1.819 20 10 CDCDRO CCOc1ccc(CN[C@H](CC[NH3+])C(F)F)c(O)c1 ZINC000841073256 775068369 /nfs/dbraw/zinc/06/83/69/775068369.db2.gz GEQPUHDAKBCHBS-LLVKDONJSA-N 1 0 274.311 1.863 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(N(C)C)cc1 ZINC000840808872 775091198 /nfs/dbraw/zinc/09/11/98/775091198.db2.gz YBODVUQQMLKTEP-SWLSCSKDSA-N 1 0 289.383 1.056 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000817413119 775093236 /nfs/dbraw/zinc/09/32/36/775093236.db2.gz UMIZVSLGNTUZLL-GFCCVEGCSA-N 1 0 281.352 1.373 20 10 CDCDRO C[C@H]([NH3+])CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597551 775263444 /nfs/dbraw/zinc/26/34/44/775263444.db2.gz NYHGXUFHSWZTES-JTQLQIEISA-N 1 0 262.353 1.625 20 10 CDCDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1O ZINC000876781028 775269017 /nfs/dbraw/zinc/26/90/17/775269017.db2.gz IQXRJDDEBRTZAE-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO C[NH+](C)C1(CNC(=O)C2=CC(=O)CS2)CCC1 ZINC000783932174 775504754 /nfs/dbraw/zinc/50/47/54/775504754.db2.gz HZTQTFNZTSSAIF-UHFFFAOYSA-N 1 0 254.355 1.668 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000857226521 775520160 /nfs/dbraw/zinc/52/01/60/775520160.db2.gz QMLAUKBYTOTMEK-BLLLJJGKSA-N 1 0 292.379 1.723 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000817412485 775584260 /nfs/dbraw/zinc/58/42/60/775584260.db2.gz LRNJUNWAERFJCV-AWEZNQCLSA-N 1 0 295.379 1.763 20 10 CDCDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000389082723 775688914 /nfs/dbraw/zinc/68/89/14/775688914.db2.gz LRDJNFSZHBRBHG-CQSZACIVSA-N 1 0 265.309 1.372 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000858582026 775851319 /nfs/dbraw/zinc/85/13/19/775851319.db2.gz LELOATDKSJEIFK-NEPJUHHUSA-N 1 0 279.384 1.812 20 10 CDCDRO C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000870988105 775899557 /nfs/dbraw/zinc/89/95/57/775899557.db2.gz GJRVZFHLYOMEMT-VXGBXAGGSA-N 1 0 262.353 1.959 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)[C@@H](C[NH3+])C2CC2)c1O ZINC000843386730 776064390 /nfs/dbraw/zinc/06/43/90/776064390.db2.gz LHSCNGLCJQZFRO-AWEZNQCLSA-N 1 0 280.343 1.903 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1Cl ZINC000825266308 776153093 /nfs/dbraw/zinc/15/30/93/776153093.db2.gz JONZUHKHZJWQCR-VIFPVBQESA-N 1 0 291.800 1.877 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090951394 776164175 /nfs/dbraw/zinc/16/41/75/776164175.db2.gz VDRWVQGYZDQDRN-SWLSCSKDSA-N 1 0 266.385 1.801 20 10 CDCDRO CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c(O)c1 ZINC000825312749 776167778 /nfs/dbraw/zinc/16/77/78/776167778.db2.gz XKXLHUBWWYVYAB-WCQYABFASA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC000158874401 776462929 /nfs/dbraw/zinc/46/29/29/776462929.db2.gz YCLXLRYBLLNDLK-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000894270211 776506127 /nfs/dbraw/zinc/50/61/27/776506127.db2.gz UIIJTYSTMFWHSI-LBPRGKRZSA-N 1 0 251.326 1.570 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCF)cc1 ZINC000852792659 776693239 /nfs/dbraw/zinc/69/32/39/776693239.db2.gz ZCPMJCYGLHHUNR-ZDUSSCGKSA-N 1 0 267.348 1.618 20 10 CDCDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834566322 776760752 /nfs/dbraw/zinc/76/07/52/776760752.db2.gz JTMJIDFZIQWFNI-TZMCWYRMSA-N 1 0 276.380 1.690 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c(O)c1 ZINC000877547349 776784099 /nfs/dbraw/zinc/78/40/99/776784099.db2.gz UWNFHDVRKAIPGE-LBPRGKRZSA-N 1 0 283.393 1.567 20 10 CDCDRO CCCN(Cc1ccccc1O)c1nc(N)[nH+]c(N)n1 ZINC000858451196 776824912 /nfs/dbraw/zinc/82/49/12/776824912.db2.gz OSEFMCLJJPSDHJ-UHFFFAOYSA-N 1 0 274.328 1.158 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c(O)c1 ZINC000877493157 776842234 /nfs/dbraw/zinc/84/22/34/776842234.db2.gz HICZICCLEVNJDM-YPMHNXCESA-N 1 0 292.379 1.938 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCN(CCO)C(C)(C)C2)c1 ZINC000783715132 776912085 /nfs/dbraw/zinc/91/20/85/776912085.db2.gz HLRGPSQWMWRLLV-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c(O)c1 ZINC000877493155 776948779 /nfs/dbraw/zinc/94/87/79/776948779.db2.gz HICZICCLEVNJDM-DGCLKSJQSA-N 1 0 292.379 1.938 20 10 CDCDRO COc1cccc(CNC(=[NH2+])NCC(F)F)c1O ZINC000887352770 776978071 /nfs/dbraw/zinc/97/80/71/776978071.db2.gz NIKKRNGVFUURNK-UHFFFAOYSA-N 1 0 259.256 1.280 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CC2)c(O)c1 ZINC000393506147 777033015 /nfs/dbraw/zinc/03/30/15/777033015.db2.gz XDXGIBYHSVRGMW-CQSZACIVSA-N 1 0 251.326 1.915 20 10 CDCDRO NC(=O)c1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000036902916 777035234 /nfs/dbraw/zinc/03/52/34/777035234.db2.gz KFJBEALNFLHXAB-UHFFFAOYSA-N 1 0 256.305 1.781 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000877533474 777065319 /nfs/dbraw/zinc/06/53/19/777065319.db2.gz OTVCDZLIESQDDX-LBPRGKRZSA-N 1 0 283.393 1.615 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000037807419 777101184 /nfs/dbraw/zinc/10/11/84/777101184.db2.gz CQWPKGGYAGFUTN-CQSZACIVSA-N 1 0 263.385 1.838 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886240725 777198080 /nfs/dbraw/zinc/19/80/80/777198080.db2.gz BLOCBSULSFVMOW-MKZZRHPPSA-N 1 0 278.396 1.507 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000825196439 777250949 /nfs/dbraw/zinc/25/09/49/777250949.db2.gz GRTWYZORELIRTO-UKRRQHHQSA-N 1 0 265.353 1.903 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CCN(C)CC2)c1O ZINC000199971665 777347409 /nfs/dbraw/zinc/34/74/09/777347409.db2.gz DKPMTUFMDBSNDB-UHFFFAOYSA-N 1 0 250.342 1.457 20 10 CDCDRO CN(CC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841956593 777375993 /nfs/dbraw/zinc/37/59/93/777375993.db2.gz AACVBFDLEOEVOW-UHFFFAOYSA-N 1 0 264.373 1.014 20 10 CDCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832486 777461820 /nfs/dbraw/zinc/46/18/20/777461820.db2.gz OSKZSPAWCAESPW-GFCCVEGCSA-N 1 0 274.368 1.209 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000840973840 777795414 /nfs/dbraw/zinc/79/54/14/777795414.db2.gz WWBJAPUXKTZOBQ-UHFFFAOYSA-N 1 0 291.800 1.960 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN2C)c1O ZINC000712541920 777848779 /nfs/dbraw/zinc/84/87/79/777848779.db2.gz GVPLJCDYNNPOLS-NSHDSACASA-N 1 0 270.760 1.848 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)c(O)c1 ZINC000818000424 777868673 /nfs/dbraw/zinc/86/86/73/777868673.db2.gz QOCQZGKBGZNIML-CYBMUJFWSA-N 1 0 264.325 1.144 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000825256809 777951709 /nfs/dbraw/zinc/95/17/09/777951709.db2.gz IMOWNBKAHHAHMZ-OTVXOJSOSA-N 1 0 276.380 1.777 20 10 CDCDRO COC(=O)NC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000827933945 778026327 /nfs/dbraw/zinc/02/63/27/778026327.db2.gz GDBANNAQANYKFG-UHFFFAOYSA-N 1 0 294.351 1.721 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000789557457 778063535 /nfs/dbraw/zinc/06/35/35/778063535.db2.gz ICCKMRAMMJTZRS-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000877532396 778093988 /nfs/dbraw/zinc/09/39/88/778093988.db2.gz FRCZTOAOKAQKRH-GFCCVEGCSA-N 1 0 283.393 1.615 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870881767 778310472 /nfs/dbraw/zinc/31/04/72/778310472.db2.gz KZHVMNIZNPDCKO-NSHDSACASA-N 1 0 292.379 1.968 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841652880 778363549 /nfs/dbraw/zinc/36/35/49/778363549.db2.gz GUNBLKVLSCUDFK-UHFFFAOYSA-N 1 0 264.373 1.161 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922074083 778370168 /nfs/dbraw/zinc/37/01/68/778370168.db2.gz RGICJZZEPLVBDY-LRDDRELGSA-N 1 0 277.364 1.641 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC000845195528 778546963 /nfs/dbraw/zinc/54/69/63/778546963.db2.gz FGUUYHGUBSGNJD-VIFPVBQESA-N 1 0 285.775 1.795 20 10 CDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000884029046 778658824 /nfs/dbraw/zinc/65/88/24/778658824.db2.gz ZEMLUJOUJVWKAL-AWEZNQCLSA-N 1 0 263.385 1.562 20 10 CDCDRO [NH3+]CC[C@H](NCc1cccc(F)c1O)C(F)(F)F ZINC000841091244 778764452 /nfs/dbraw/zinc/76/44/52/778764452.db2.gz VMDSIRYERLFCLI-VIFPVBQESA-N 1 0 266.238 1.901 20 10 CDCDRO [NH3+]C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000219838917 778834871 /nfs/dbraw/zinc/83/48/71/778834871.db2.gz DIVZZHPTMGTMKB-VIFPVBQESA-N 1 0 285.185 1.935 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000877607972 778852199 /nfs/dbraw/zinc/85/21/99/778852199.db2.gz KTWMYANVABPFNR-YPMHNXCESA-N 1 0 276.336 1.631 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852882630 778874291 /nfs/dbraw/zinc/87/42/91/778874291.db2.gz NFDODTPHKQMNAP-CABCVRRESA-N 1 0 291.395 1.075 20 10 CDCDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849024818 778981333 /nfs/dbraw/zinc/98/13/33/778981333.db2.gz BBDRIVYAZLRCER-SECBINFHSA-N 1 0 267.329 1.050 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(O)cc1C ZINC000840133184 779004993 /nfs/dbraw/zinc/00/49/93/779004993.db2.gz PVZADOJCKOYAOH-GXTWGEPZSA-N 1 0 276.380 1.845 20 10 CDCDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cccc(F)c1O)C2 ZINC000857226405 779032918 /nfs/dbraw/zinc/03/29/18/779032918.db2.gz NDFLKVSOGLFNAK-FZMZJTMJSA-N 1 0 250.317 1.845 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCN1CCCC1=O ZINC000846076633 779047713 /nfs/dbraw/zinc/04/77/13/779047713.db2.gz CIYCNDBGNZGEPC-UHFFFAOYSA-N 1 0 264.325 1.113 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@]2(O)CCSC2)c1O ZINC000702276602 779060943 /nfs/dbraw/zinc/06/09/43/779060943.db2.gz CGKIKPRERKONTC-CQSZACIVSA-N 1 0 267.394 1.912 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000843056146 779156060 /nfs/dbraw/zinc/15/60/60/779156060.db2.gz UXKBXHXVYYTJIC-NSHDSACASA-N 1 0 264.325 1.305 20 10 CDCDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597407 779272738 /nfs/dbraw/zinc/27/27/38/779272738.db2.gz HKLIMGBCHIBUIP-HNNXBMFYSA-N 1 0 288.391 1.885 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000389186902 779338627 /nfs/dbraw/zinc/33/86/27/779338627.db2.gz MQOHUJAJEHBZQW-MWLCHTKSSA-N 1 0 285.365 1.066 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000877650424 779424494 /nfs/dbraw/zinc/42/44/94/779424494.db2.gz BIWBHSXYTRXYSS-AWEZNQCLSA-N 1 0 291.395 1.130 20 10 CDCDRO C[NH+](C)C1(C(=O)NCCCSc2nccs2)CC1 ZINC000827474625 779472937 /nfs/dbraw/zinc/47/29/37/779472937.db2.gz HBJXUJKSUAEUOD-UHFFFAOYSA-N 1 0 285.438 1.836 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(F)ccc1O ZINC000817976779 779494401 /nfs/dbraw/zinc/49/44/01/779494401.db2.gz TXEZGJHKZYHIFI-LSJOCFKGSA-N 1 0 256.296 1.882 20 10 CDCDRO C[N@@H+]1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843159014 779548824 /nfs/dbraw/zinc/54/88/24/779548824.db2.gz KPPOEZHOKYZULP-NSHDSACASA-N 1 0 258.325 1.662 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+][C@H](C)C2)c1O ZINC000088058604 779613087 /nfs/dbraw/zinc/61/30/87/779613087.db2.gz KFTHSQNJEUEJMY-LLVKDONJSA-N 1 0 250.342 1.585 20 10 CDCDRO C[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+](C)C ZINC000822081511 779645683 /nfs/dbraw/zinc/64/56/83/779645683.db2.gz DXJPZPDBNMRJFK-NWDGAFQWSA-N 1 0 263.385 1.880 20 10 CDCDRO CCN(CC)C(=O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311732707 779920733 /nfs/dbraw/zinc/92/07/33/779920733.db2.gz RISUDMVUOYGPBJ-GFCCVEGCSA-N 1 0 262.353 1.838 20 10 CDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841831956 779984966 /nfs/dbraw/zinc/98/49/66/779984966.db2.gz ISRWPUFCZSCJLM-ZSHCYNCHSA-N 1 0 298.390 1.080 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850569 779999797 /nfs/dbraw/zinc/99/97/97/779999797.db2.gz WWWJJAKVUHIHKJ-VIFPVBQESA-N 1 0 290.392 1.393 20 10 CDCDRO COC(=O)Cc1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173883149 912888896 /nfs/dbraw/zinc/88/88/96/912888896.db2.gz AHDPAGMJGAQBAB-UHFFFAOYSA-N 1 0 258.277 1.668 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@](C)([NH3+])C2)c1O ZINC000405887227 897697293 /nfs/dbraw/zinc/69/72/93/897697293.db2.gz QNNFTCCRHCYJSD-ZDUSSCGKSA-N 1 0 270.760 1.977 20 10 CDCDRO O=S1(=O)CCCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000694583683 898555873 /nfs/dbraw/zinc/55/58/73/898555873.db2.gz GNNUJVMGKLRGTK-STQMWFEESA-N 1 0 295.404 1.936 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CCC[C@@H]1C[NH3+] ZINC001236246790 914808029 /nfs/dbraw/zinc/80/80/29/914808029.db2.gz JKMDMVBZNWXIGU-CQSZACIVSA-N 1 0 263.385 1.684 20 10 CDCDRO OC[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000921994051 921235944 /nfs/dbraw/zinc/23/59/44/921235944.db2.gz OTRWOYNTCMORGN-OAHLLOKOSA-N 1 0 263.337 1.253 20 10 CDCDRO C[NH2+]C1CN(Cc2cc(Br)c(C)cc2O)C1 ZINC001204714774 909575757 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1 0 271.744 1.868 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001236807415 944575247 /nfs/dbraw/zinc/57/52/47/944575247.db2.gz GYFRPKVAJLQILV-HZPDHXFCSA-N 1 0 295.379 1.274 20 10 CDCDRO O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237401469 944752296 /nfs/dbraw/zinc/75/22/96/944752296.db2.gz CXKGBIIIIXDPOW-GXTWGEPZSA-N 1 0 290.363 1.664 20 10 CDCDRO O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237402372 944755932 /nfs/dbraw/zinc/75/59/32/944755932.db2.gz HAACHQHXMSWTMS-OCCSQVGLSA-N 1 0 290.363 1.664 20 10 CDCDRO Cc1cc(F)cc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c1O ZINC001238067834 945048775 /nfs/dbraw/zinc/04/87/75/945048775.db2.gz QFSWMKYKBNNWSS-STQMWFEESA-N 1 0 250.317 1.728 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001261482270 946135033 /nfs/dbraw/zinc/13/50/33/946135033.db2.gz HAASLPNJYLCEKR-MRXNPFEDSA-N 1 0 275.396 1.446 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+]C2CCSCC2)cc1O ZINC001255076135 947720135 /nfs/dbraw/zinc/72/01/35/947720135.db2.gz HTVBSARWRPWGJK-ZDUSSCGKSA-N 1 0 269.366 1.616 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCSC2)cc1O ZINC001255269874 947797942 /nfs/dbraw/zinc/79/79/42/947797942.db2.gz QBMXIBUFVDSRLH-SECBINFHSA-N 1 0 255.339 1.441 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N)cc2)CN1 ZINC001246175157 948009989 /nfs/dbraw/zinc/00/99/89/948009989.db2.gz YMSIOHZZECJAEP-KGLIPLIRSA-N 1 0 277.368 1.042 20 10 CDCDRO Oc1ccc(CC[NH2+]C2CCN(C3CC3)CC2)cc1O ZINC001256067811 948192171 /nfs/dbraw/zinc/19/21/71/948192171.db2.gz KGRPMDRKFTWZMH-UHFFFAOYSA-N 1 0 276.380 1.857 20 10 CDCDRO COc1ccc(N2CCN([C@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC001246931347 948527274 /nfs/dbraw/zinc/52/72/74/948527274.db2.gz ACILTTQWSIFLHB-HNNXBMFYSA-N 1 0 289.423 1.878 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC001249173596 949444323 /nfs/dbraw/zinc/44/43/23/949444323.db2.gz UETBWGNEIOJGHQ-ZDUSSCGKSA-N 1 0 279.336 1.064 20 10 CDCDRO CC[N@H+](Cc1ccc(CC(=O)OC)cc1O)C1COC1 ZINC001249208279 949459119 /nfs/dbraw/zinc/45/91/19/949459119.db2.gz RDQUDQAUSZCYIM-UHFFFAOYSA-N 1 0 279.336 1.328 20 10 CDCDRO CCCCC[C@@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001253554644 951951586 /nfs/dbraw/zinc/95/15/86/951951586.db2.gz MAJNQAOJUQHMOE-GFCCVEGCSA-N 1 0 281.352 1.811 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(N)cc1)C2 ZINC001334774194 954269115 /nfs/dbraw/zinc/26/91/15/954269115.db2.gz GHJWDMLVFKTTQH-LBPRGKRZSA-N 1 0 257.341 1.044 20 10 CDCDRO CC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCNC1=O ZINC001327031281 954667494 /nfs/dbraw/zinc/66/74/94/954667494.db2.gz KLWCCPMADGKWPV-MRXNPFEDSA-N 1 0 287.407 1.997 20 10 CDCDRO COc1cc(C)c(C[N@H+](C)CCCCO)c(O)c1 ZINC001308694893 956562533 /nfs/dbraw/zinc/56/25/33/956562533.db2.gz XXMZEIYEZQEDGC-UHFFFAOYSA-N 1 0 253.342 1.914 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C23CC(C2)C[NH2+]3)c1 ZINC001340969544 963213811 /nfs/dbraw/zinc/21/38/11/963213811.db2.gz XHEOFFPRUMHYRV-YLTRJXTNSA-N 1 0 276.336 1.330 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC001345159827 964611444 /nfs/dbraw/zinc/61/14/44/964611444.db2.gz NPMDRTNNVIAICI-YPMHNXCESA-N 1 0 261.325 1.199 20 10 CDCDRO CC(C)[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001346737843 965232050 /nfs/dbraw/zinc/23/20/50/965232050.db2.gz ABRQSWLPSQVOBJ-UHFFFAOYSA-N 1 0 276.384 1.504 20 10 CDCDRO CCC[NH2+]CCNC(=O)NCc1ccc(N)cc1 ZINC001353423809 967967519 /nfs/dbraw/zinc/96/75/19/967967519.db2.gz DBVPYZYNCHKJMH-UHFFFAOYSA-N 1 0 250.346 1.068 20 10 CDCDRO CC(C)C[NH2+]CC(=O)NCc1ccc2cccnc2c1O ZINC001575606240 1171219154 /nfs/dbraw/zinc/21/91/54/1171219154.db2.gz OCYFGUQDXJJJNW-UHFFFAOYSA-N 1 0 287.363 1.802 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000178866777 342532714 /nfs/dbraw/zinc/53/27/14/342532714.db2.gz FWRLNXAGBWFDNW-BXUZGUMPSA-N 1 0 273.380 1.553 20 10 CDCDRO Nc1ccc(CC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000037467288 356457487 /nfs/dbraw/zinc/45/74/87/356457487.db2.gz IUYAOHNADJQTBJ-UHFFFAOYSA-N 1 0 261.369 1.413 20 10 CDCDRO Cc1cccc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000180381179 357267646 /nfs/dbraw/zinc/26/76/46/357267646.db2.gz RWPBIKVLTBDGPB-UHFFFAOYSA-N 1 0 290.407 1.997 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001579617657 1172226693 /nfs/dbraw/zinc/22/66/93/1172226693.db2.gz SXUNOPRLTBUPLY-JOCQHMNTSA-N 1 0 276.384 1.350 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H](C)O1 ZINC000188380558 357888233 /nfs/dbraw/zinc/88/82/33/357888233.db2.gz LEDIYIZOYMLEKS-OCCSQVGLSA-N 1 0 265.353 1.936 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000188803107 357938665 /nfs/dbraw/zinc/93/86/65/357938665.db2.gz KBZISXDMIGMWOM-JQWIXIFHSA-N 1 0 251.326 1.651 20 10 CDCDRO Cc1cc(C[NH2+][C@H](CO)c2cnn(C)c2)ccc1N(C)C ZINC000294528405 199073320 /nfs/dbraw/zinc/07/33/20/199073320.db2.gz JMTKMRIXMKHPQO-OAHLLOKOSA-N 1 0 288.395 1.618 20 10 CDCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(F)ccc1O ZINC000287173403 359284375 /nfs/dbraw/zinc/28/43/75/359284375.db2.gz CFWOOCUGJMAQNY-JTQLQIEISA-N 1 0 271.332 1.969 20 10 CDCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CC[NH+](C)CC1 ZINC000113336627 359394342 /nfs/dbraw/zinc/39/43/42/359394342.db2.gz NAJXYGXMWPDXGV-LBPRGKRZSA-N 1 0 297.830 1.771 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCNC2=O)c1 ZINC000050394280 359779809 /nfs/dbraw/zinc/77/98/09/359779809.db2.gz XNLKMBWUAPFTLI-SKDRFNHKSA-N 1 0 264.325 1.330 20 10 CDCDRO COc1ccc(C[NH2+]CCCOCCO)cc1C ZINC000227334987 359813440 /nfs/dbraw/zinc/81/34/40/359813440.db2.gz KWYCNXGWACHJQY-UHFFFAOYSA-N 1 0 253.342 1.492 20 10 CDCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000281292235 363793822 /nfs/dbraw/zinc/79/38/22/363793822.db2.gz YDPDAXLAHSQJRQ-VIFPVBQESA-N 1 0 287.356 1.759 20 10 CDCDRO C[C@@H]([NH2+]CCO)c1ccc(N2CCOCC2)cc1 ZINC000268760095 364089846 /nfs/dbraw/zinc/08/98/46/364089846.db2.gz ZMCOBIAJEFAPHE-GFCCVEGCSA-N 1 0 250.342 1.166 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000271238508 364977513 /nfs/dbraw/zinc/97/75/13/364977513.db2.gz BQEXJORRLDADAF-SKDRFNHKSA-N 1 0 265.309 1.324 20 10 CDCDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000294697510 371085858 /nfs/dbraw/zinc/08/58/58/371085858.db2.gz CDIRSSSMSVEEDG-NSHDSACASA-N 1 0 289.379 1.619 20 10 CDCDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000273405938 371162112 /nfs/dbraw/zinc/16/21/12/371162112.db2.gz HBKUAICEMAPITH-QMMMGPOBSA-N 1 0 264.304 1.851 20 10 CDCDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccn[nH]1 ZINC000296292184 371698273 /nfs/dbraw/zinc/69/82/73/371698273.db2.gz DCRUYHFVPFMIEL-LLVKDONJSA-N 1 0 286.335 1.122 20 10 CDCDRO CCOc1cccc(CN2CCNC(=O)[C@H]2CC)c1O ZINC000093050061 390899447 /nfs/dbraw/zinc/89/94/47/390899447.db2.gz YTBONGYJKYWNPV-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO CCS(=O)(=O)NCCC[N@H+](C)Cc1ccccc1O ZINC000151679745 390966070 /nfs/dbraw/zinc/96/60/70/390966070.db2.gz IETSSKRCXVEOLD-UHFFFAOYSA-N 1 0 286.397 1.153 20 10 CDCDRO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccccc1O ZINC000183612562 391267087 /nfs/dbraw/zinc/26/70/87/391267087.db2.gz OKKYUXLJKHUMCY-NSHDSACASA-N 1 0 287.381 1.104 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193595852 391342099 /nfs/dbraw/zinc/34/20/99/391342099.db2.gz OHZHRYGKFSEKJS-SDBXPKJASA-N 1 0 294.326 1.348 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)[C@H]2CCNC2=O)c1O ZINC000281895810 391420923 /nfs/dbraw/zinc/42/09/23/391420923.db2.gz YQFWKAXMDAXICL-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1ccccc1O ZINC000281917016 391426778 /nfs/dbraw/zinc/42/67/78/391426778.db2.gz AHFYRFLAICGNTD-PWSUYJOCSA-N 1 0 268.332 1.907 20 10 CDCDRO Oc1ccccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000361053448 391678813 /nfs/dbraw/zinc/67/88/13/391678813.db2.gz RKPNMZZNCDQSKM-GDBMZVCRSA-N 1 0 276.380 1.423 20 10 CDCDRO COc1cccc(C[NH2+]CCCn2cccn2)c1O ZINC000134491269 393264404 /nfs/dbraw/zinc/26/44/04/393264404.db2.gz NUEXSRCNKJDSRL-UHFFFAOYSA-N 1 0 261.325 1.777 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccccc1O ZINC000020141606 171027969 /nfs/dbraw/zinc/02/79/69/171027969.db2.gz ZGLJZFAZQIIXRV-CYBMUJFWSA-N 1 0 264.369 1.765 20 10 CDCDRO CC[C@H]([NH2+]CCOCCO)c1ccc(N(C)C)cc1 ZINC000159139769 261179420 /nfs/dbraw/zinc/17/94/20/261179420.db2.gz PFOWLBWPAIYCAB-HNNXBMFYSA-N 1 0 266.385 1.802 20 10 CDCDRO Cn1cc([C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]2CO)cn1 ZINC000278569153 263049154 /nfs/dbraw/zinc/04/91/54/263049154.db2.gz BVAUUGWNNUEXDG-GJZGRUSLSA-N 1 0 287.363 1.334 20 10 CDCDRO Cc1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(O)c1O ZINC000367988990 267132814 /nfs/dbraw/zinc/13/28/14/267132814.db2.gz OVOUREBTJIPPTJ-LBPRGKRZSA-N 1 0 290.363 1.717 20 10 CDCDRO CS(=O)(=O)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368352076 267165179 /nfs/dbraw/zinc/16/51/79/267165179.db2.gz NZXLNCLZQYEXGR-NSHDSACASA-N 1 0 269.366 1.259 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1 ZINC000282690631 328243278 /nfs/dbraw/zinc/24/32/78/328243278.db2.gz KGGVCYHHHXCTJN-QWRGUYRKSA-N 1 0 268.332 1.825 20 10 CDCDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000294710562 328282680 /nfs/dbraw/zinc/28/26/80/328282680.db2.gz BHVGVAVHHLNHSP-LSDHHAIUSA-N 1 0 275.396 1.562 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000231843110 333330430 /nfs/dbraw/zinc/33/04/30/333330430.db2.gz HNNZTZWABKEWCD-GFCCVEGCSA-N 1 0 264.369 1.960 20 10 CDCDRO Cn1nncc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000394938375 1159606622 /nfs/dbraw/zinc/60/66/22/1159606622.db2.gz ALYAJPCTRGMLQG-UHFFFAOYSA-N 1 0 271.368 1.705 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](CCO)C(C)C)c1O ZINC000050158090 518285203 /nfs/dbraw/zinc/28/52/03/518285203.db2.gz PPZUCAOXOQYITK-UHFFFAOYSA-N 1 0 269.316 1.937 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@H]1OC ZINC000252838248 520372275 /nfs/dbraw/zinc/37/22/75/520372275.db2.gz BLSVNOCUBCEFNF-MRVWCRGKSA-N 1 0 251.326 1.674 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000163484282 521643717 /nfs/dbraw/zinc/64/37/17/521643717.db2.gz FUAFBOWXKLPZRV-GFCCVEGCSA-N 1 0 284.425 1.838 20 10 CDCDRO CC[C@H](CCO)C[NH2+]Cc1cc(OC)ccc1O ZINC000094949758 522143664 /nfs/dbraw/zinc/14/36/64/522143664.db2.gz UCGYDWKDKCSMDJ-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC000066697055 522165309 /nfs/dbraw/zinc/16/53/09/522165309.db2.gz UBDYHFDEVXUOQF-UHFFFAOYSA-N 1 0 275.396 1.807 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070577459 522203240 /nfs/dbraw/zinc/20/32/40/522203240.db2.gz CEBYSDILFHCGAC-UONOGXRCSA-N 1 0 275.396 1.886 20 10 CDCDRO CON(C)C(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000291240059 523287405 /nfs/dbraw/zinc/28/74/05/523287405.db2.gz LDZLRTLCEFGWSG-UHFFFAOYSA-N 1 0 292.379 1.932 20 10 CDCDRO C[NH+](C)CC(=O)NCc1cccc(Br)c1O ZINC000277482100 524044867 /nfs/dbraw/zinc/04/48/67/524044867.db2.gz IUTVHDQECSZBFW-UHFFFAOYSA-N 1 0 287.157 1.333 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1C ZINC000227974365 524072376 /nfs/dbraw/zinc/07/23/76/524072376.db2.gz OOONTUDXISDCTJ-IUODEOHRSA-N 1 0 265.353 1.633 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)CN2CCOCC2)cc1C ZINC000037273627 524074289 /nfs/dbraw/zinc/07/42/89/524074289.db2.gz XXIYOECAFRUESR-AWEZNQCLSA-N 1 0 278.396 1.814 20 10 CDCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000125483226 524226374 /nfs/dbraw/zinc/22/63/74/524226374.db2.gz WIJUFOKTDKSHKU-XIKOKIGWSA-N 1 0 268.426 1.999 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000274915924 524700356 /nfs/dbraw/zinc/70/03/56/524700356.db2.gz JZSNTHGDRKXIFY-ZYHUDNBSSA-N 1 0 278.352 1.239 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(C)c2)c1 ZINC000041158809 524766716 /nfs/dbraw/zinc/76/67/16/524766716.db2.gz SQZUTCRKFZVANL-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000277420277 525347028 /nfs/dbraw/zinc/34/70/28/525347028.db2.gz AKOHUUVDASRZKB-UHFFFAOYSA-N 1 0 276.380 1.655 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1O ZINC000037155506 526036084 /nfs/dbraw/zinc/03/60/84/526036084.db2.gz KOLLYGRYSAUCTO-LLVKDONJSA-N 1 0 261.325 1.776 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000368646312 527477569 /nfs/dbraw/zinc/47/75/69/527477569.db2.gz IWJGFTORGHIBAP-CYBMUJFWSA-N 1 0 259.353 1.070 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000262569855 527478993 /nfs/dbraw/zinc/47/89/93/527478993.db2.gz BUHLOYVYBGMUCU-TZMCWYRMSA-N 1 0 261.369 1.445 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2(O)CCOCC2)c(O)c1 ZINC000728781821 574645554 /nfs/dbraw/zinc/64/55/54/574645554.db2.gz AWAREESEXOZJIW-UHFFFAOYSA-N 1 0 281.352 1.422 20 10 CDCDRO C[C@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769544592 575358324 /nfs/dbraw/zinc/35/83/24/575358324.db2.gz YYEZNRBNEHACCX-INIZCTEOSA-N 1 0 294.370 1.619 20 10 CDCDRO CCOc1ccc(C[NH2+]C2(CO)CCOCC2)c(O)c1 ZINC000734844934 575387921 /nfs/dbraw/zinc/38/79/21/575387921.db2.gz FHCPWNREAGDKOL-UHFFFAOYSA-N 1 0 281.352 1.422 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c(O)c1 ZINC000770287128 575436996 /nfs/dbraw/zinc/43/69/96/575436996.db2.gz SPRJLEMKRASPEI-GFCCVEGCSA-N 1 0 291.351 1.000 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000773764125 575838122 /nfs/dbraw/zinc/83/81/22/575838122.db2.gz XNNXGTQEOQBANW-CMPLNLGQSA-N 1 0 278.352 1.097 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)c1O ZINC000765797241 576056651 /nfs/dbraw/zinc/05/66/51/576056651.db2.gz RBBWRVFJLFEVNB-CHWSQXEVSA-N 1 0 292.379 1.795 20 10 CDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000767776839 576228577 /nfs/dbraw/zinc/22/85/77/576228577.db2.gz YGEZXXFGELJUCG-VXGBXAGGSA-N 1 0 292.379 1.629 20 10 CDCDRO CC(C)C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440318 576282536 /nfs/dbraw/zinc/28/25/36/576282536.db2.gz QJVFBORTMHWPER-ZDUSSCGKSA-N 1 0 251.326 1.906 20 10 CDCDRO C[C@@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444698 576283084 /nfs/dbraw/zinc/28/30/84/576283084.db2.gz BHJZTESRXPMGTH-RNCFNFMXSA-N 1 0 281.377 1.755 20 10 CDCDRO C[C@@H]1[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCOC1(C)C ZINC000768461577 576286630 /nfs/dbraw/zinc/28/66/30/576286630.db2.gz DLQWQKNNZGTNQH-HZMBPMFUSA-N 1 0 293.363 1.817 20 10 CDCDRO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000760855695 576516516 /nfs/dbraw/zinc/51/65/16/576516516.db2.gz HSBYVXBPHCMCCI-LBPRGKRZSA-N 1 0 283.393 1.649 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C)c2c1c(F)ccc2O ZINC000756552220 576995183 /nfs/dbraw/zinc/99/51/83/576995183.db2.gz DCVTZKMJSRBXHG-FOGDFJRCSA-N 1 0 282.359 1.592 20 10 CDCDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756777170 577003715 /nfs/dbraw/zinc/00/37/15/577003715.db2.gz WJXCEEUBAQBOFZ-SDBXPKJASA-N 1 0 297.305 1.788 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000779432561 617367177 /nfs/dbraw/zinc/36/71/77/617367177.db2.gz VKECXWIHCCEUPW-UHFFFAOYSA-N 1 0 281.356 1.104 20 10 CDCDRO CSCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891257240 617391879 /nfs/dbraw/zinc/39/18/79/617391879.db2.gz GDGSBWRYWVLBBH-AWEZNQCLSA-N 1 0 295.452 1.835 20 10 CDCDRO C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000892001422 617399523 /nfs/dbraw/zinc/39/95/23/617399523.db2.gz VIAXPHOMHYMKKE-VXGBXAGGSA-N 1 0 277.368 1.752 20 10 CDCDRO [NH3+][C@H](CNC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000892049716 617444226 /nfs/dbraw/zinc/44/42/26/617444226.db2.gz XJPDKFIQGZKNMV-GFCCVEGCSA-N 1 0 261.325 1.155 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000893181369 617444395 /nfs/dbraw/zinc/44/43/95/617444395.db2.gz IGUCIWQRNYEXHE-LBPRGKRZSA-N 1 0 281.352 1.924 20 10 CDCDRO COc1ccc(C[NH2+]CCC[C@@H](C)CO)c(O)c1OC ZINC000893266058 617502953 /nfs/dbraw/zinc/50/29/53/617502953.db2.gz YJQSCJNXTVOJQY-LLVKDONJSA-N 1 0 283.368 1.908 20 10 CDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000892199296 617546111 /nfs/dbraw/zinc/54/61/11/617546111.db2.gz LXCGSUPDZOVKKK-UWVGGRQHSA-N 1 0 263.341 1.543 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)cc(OC)c1O ZINC000893943249 618208185 /nfs/dbraw/zinc/20/81/85/618208185.db2.gz UNPKNFBGWXQROK-UHFFFAOYSA-N 1 0 280.368 1.619 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894018719 618244408 /nfs/dbraw/zinc/24/44/08/618244408.db2.gz BNRZXFPFWJJOFM-LBPRGKRZSA-N 1 0 292.379 1.667 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1O ZINC000894288333 618495333 /nfs/dbraw/zinc/49/53/33/618495333.db2.gz SBBCBCCZSGEVHI-GFCCVEGCSA-N 1 0 299.392 1.376 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](C)CCCO ZINC000824603692 618583253 /nfs/dbraw/zinc/58/32/53/618583253.db2.gz XZVPZKSPUFJAAF-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCOC2)c1O ZINC000894173010 618655980 /nfs/dbraw/zinc/65/59/80/618655980.db2.gz DIXIBZYLCCZBAY-LLVKDONJSA-N 1 0 251.326 1.835 20 10 CDCDRO COC[C@@]1(CNCc2cc(C)c(C)cc2O)CCC[NH2+]1 ZINC000841068136 618680531 /nfs/dbraw/zinc/68/05/31/618680531.db2.gz WGFBZERNXXLPRX-INIZCTEOSA-N 1 0 278.396 1.867 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2COCCO2)c1O ZINC000894197637 618684672 /nfs/dbraw/zinc/68/46/72/618684672.db2.gz ZZVZOPWZEYSJSE-GFCCVEGCSA-N 1 0 267.325 1.214 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000843058263 618691843 /nfs/dbraw/zinc/69/18/43/618691843.db2.gz QMMRJZHJKNIAMV-XHDPSFHLSA-N 1 0 281.375 1.440 20 10 CDCDRO CCC[C@H]1C[NH2+]CCN1Cc1cccc(OC)c1O ZINC000843057986 618691903 /nfs/dbraw/zinc/69/19/03/618691903.db2.gz JWYDQQKJBBFKLP-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO COC(=O)c1c(C[NH2+][C@@H](C)CO)c2cc(F)ccc2n1C ZINC000894315616 618762485 /nfs/dbraw/zinc/76/24/85/618762485.db2.gz LHRSISVBAUOGTH-VIFPVBQESA-N 1 0 294.326 1.574 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[S@@](C)=O)c1O ZINC000894443901 618888646 /nfs/dbraw/zinc/88/86/46/618888646.db2.gz HVFYAJQKWAMBQS-XTZNXHDOSA-N 1 0 271.382 1.566 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894477267 618909961 /nfs/dbraw/zinc/90/99/61/618909961.db2.gz HVBRHCYOGFAIOU-UHFFFAOYSA-N 1 0 282.384 1.113 20 10 CDCDRO COc1ccc(C[NH2+]CCC(C)(C)CO)c(O)c1OC ZINC000894680556 619014038 /nfs/dbraw/zinc/01/40/38/619014038.db2.gz BBPADEIITJWFQU-UHFFFAOYSA-N 1 0 283.368 1.908 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1O ZINC000894887561 619123394 /nfs/dbraw/zinc/12/33/94/619123394.db2.gz FQWBFQQFBDPFJN-IUODEOHRSA-N 1 0 295.379 1.850 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1O ZINC000895317451 619545149 /nfs/dbraw/zinc/54/51/49/619545149.db2.gz OHVIHZSTWKASBS-ZDUSSCGKSA-N 1 0 278.352 1.405 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c1O ZINC000895379381 619618299 /nfs/dbraw/zinc/61/82/99/619618299.db2.gz VGLIRGWGOLOLEB-CYBMUJFWSA-N 1 0 278.352 1.420 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C)c3O)C[C@@H]2C1 ZINC000895575312 619732748 /nfs/dbraw/zinc/73/27/48/619732748.db2.gz AQDUPAHTZKWPJZ-GASCZTMLSA-N 1 0 274.364 1.611 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1F ZINC000841761177 621018652 /nfs/dbraw/zinc/01/86/52/621018652.db2.gz NSDFRQMJXBDNEE-ZDUSSCGKSA-N 1 0 294.374 1.428 20 10 CDCDRO NOCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000904457644 626301650 /nfs/dbraw/zinc/30/16/50/626301650.db2.gz RSKNYHNQVCZFPA-UHFFFAOYSA-N 1 0 283.347 1.032 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000044685548 630554120 /nfs/dbraw/zinc/55/41/20/630554120.db2.gz GZEXWFYPJJPVME-GFCCVEGCSA-N 1 0 262.353 1.727 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000045072360 630571276 /nfs/dbraw/zinc/57/12/76/630571276.db2.gz AGGYJADJCQDGSB-UHFFFAOYSA-N 1 0 266.341 1.407 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921710091 633231866 /nfs/dbraw/zinc/23/18/66/633231866.db2.gz ITJNTLZIKFDQKF-INIZCTEOSA-N 1 0 290.407 1.822 20 10 CDCDRO CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001170171933 1162298492 /nfs/dbraw/zinc/29/84/92/1162298492.db2.gz WSIZVQMDSJRUJZ-HUBLWGQQSA-N 1 0 281.352 1.678 20 10 CDCDRO Cn1c(=O)cnc2ccc(C3=CCC[N@H+](C)C3)cc21 ZINC001241571193 1161972806 /nfs/dbraw/zinc/97/28/06/1161972806.db2.gz WKHHEFDJCSMVFD-UHFFFAOYSA-N 1 0 255.321 1.652 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001578496606 1171933278 /nfs/dbraw/zinc/93/32/78/1171933278.db2.gz MRRLGFHKBUBYEF-CYBMUJFWSA-N 1 0 291.395 1.923 20 10 CDCDRO Oc1cccc(Br)c1CNC[C@H]1CC[NH2+]1 ZINC001580888428 1172566432 /nfs/dbraw/zinc/56/64/32/1172566432.db2.gz KYJHKBMWSJRITF-MRVPVSSYSA-N 1 0 271.158 1.606 20 10 CDCDRO [NH3+]C[C@H](O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC000083516946 1173474100 /nfs/dbraw/zinc/47/41/00/1173474100.db2.gz OGAYMUMNVSYMAC-LBPRGKRZSA-N 1 0 270.292 1.519 20 10 CDCDRO CN(C(=O)C(C)(C)C[NH+]1CCOCC1)c1ccc(N)cc1 ZINC000877075381 782312923 /nfs/dbraw/zinc/31/29/23/782312923.db2.gz ATSUKUKRKPDOGM-UHFFFAOYSA-N 1 0 291.395 1.590 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141577 782355538 /nfs/dbraw/zinc/35/55/38/782355538.db2.gz UVTMFRYBEVQSLH-AAEUAGOBSA-N 1 0 290.363 1.501 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)C[NH3+])c1 ZINC000828667522 782503000 /nfs/dbraw/zinc/50/30/00/782503000.db2.gz RUIJAZGJDAJIBA-RKDXNWHRSA-N 1 0 252.314 1.173 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1cc(OC)ccc1O ZINC000871605314 1165318958 /nfs/dbraw/zinc/31/89/58/1165318958.db2.gz NANYAKSDZMBTSI-UHFFFAOYSA-N 1 0 267.329 1.003 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@H](O)COC)cc1C ZINC000873122502 1165512178 /nfs/dbraw/zinc/51/21/78/1165512178.db2.gz SRFCMGCOASMUSN-AWEZNQCLSA-N 1 0 267.369 1.881 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840916589 780871020 /nfs/dbraw/zinc/87/10/20/780871020.db2.gz BQGJZSUHSFYPJO-MRXNPFEDSA-N 1 0 278.396 1.908 20 10 CDCDRO Cc1cc(C[N@H+](C)[C@H]2CCNC2=O)ccc1N(C)C ZINC000815076427 782612158 /nfs/dbraw/zinc/61/21/58/782612158.db2.gz FOOARHSULFCFFE-AWEZNQCLSA-N 1 0 261.369 1.381 20 10 CDCDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000843490725 782618509 /nfs/dbraw/zinc/61/85/09/782618509.db2.gz XDJJPQYIEZDKKZ-TXEJJXNPSA-N 1 0 274.364 1.625 20 10 CDCDRO CCOc1cccc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1O ZINC000086466839 782788226 /nfs/dbraw/zinc/78/82/26/782788226.db2.gz UIMLWAXVMLUOHF-NEPJUHHUSA-N 1 0 264.369 1.973 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659206 782818354 /nfs/dbraw/zinc/81/83/54/782818354.db2.gz SUYTUXLASWWKBN-OAHLLOKOSA-N 1 0 275.396 1.802 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](C)O ZINC000824921538 782936244 /nfs/dbraw/zinc/93/62/44/782936244.db2.gz MTDCTGUUQWBZEK-WPRPVWTQSA-N 1 0 284.312 1.558 20 10 CDCDRO COc1c([O-])c(C[N@H+](C)CC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000843056020 783040063 /nfs/dbraw/zinc/04/00/63/783040063.db2.gz CHDUMYBSIPOSIZ-UHFFFAOYSA-N 1 0 297.355 1.726 20 10 CDCDRO Cc1cccc(O)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000876784420 1165914973 /nfs/dbraw/zinc/91/49/73/1165914973.db2.gz FDBLMDIIDMDNCO-HNNXBMFYSA-N 1 0 290.407 1.855 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C[NH3+])c1 ZINC000828666943 783085471 /nfs/dbraw/zinc/08/54/71/783085471.db2.gz KGXQFUQBWNPWCS-VIFPVBQESA-N 1 0 266.341 1.563 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)cc1OC ZINC000816667389 783086085 /nfs/dbraw/zinc/08/60/85/783086085.db2.gz LZHMVYDAIPVIEV-GFCCVEGCSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC000870931774 783129851 /nfs/dbraw/zinc/12/98/51/783129851.db2.gz MRHLVHHHAZVZTH-UMSPYCQHSA-N 1 0 278.352 1.535 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1O ZINC000069142851 783391745 /nfs/dbraw/zinc/39/17/45/783391745.db2.gz XHQDVIHURPAIMC-LLVKDONJSA-N 1 0 285.365 1.068 20 10 CDCDRO CO[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877464986 1166042444 /nfs/dbraw/zinc/04/24/44/1166042444.db2.gz QGKATPARFUTTLQ-ZDUSSCGKSA-N 1 0 278.396 1.772 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c1 ZINC000877471856 1166045293 /nfs/dbraw/zinc/04/52/93/1166045293.db2.gz CFIAIDZFPAHLBA-CQSZACIVSA-N 1 0 274.364 1.897 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000844172649 780244767 /nfs/dbraw/zinc/24/47/67/780244767.db2.gz FYSFVADVKAZAEV-BMFZPTHFSA-N 1 0 287.407 1.899 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CN(C)CCO1 ZINC000921864080 780273429 /nfs/dbraw/zinc/27/34/29/780273429.db2.gz RTDGQZXSHCHQBU-CXAGYDPISA-N 1 0 290.407 1.820 20 10 CDCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817898888 780276591 /nfs/dbraw/zinc/27/65/91/780276591.db2.gz CCZYDYZHKDEHNO-TZMCWYRMSA-N 1 0 295.402 1.748 20 10 CDCDRO COCCN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876556498 780287956 /nfs/dbraw/zinc/28/79/56/780287956.db2.gz NBPAPWWMDGHUCI-UHFFFAOYSA-N 1 0 264.369 1.465 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2CCC(=O)N(C)CC2)c1 ZINC000827358475 780301232 /nfs/dbraw/zinc/30/12/32/780301232.db2.gz BUYDRJGESJMJTP-UHFFFAOYSA-N 1 0 264.325 1.065 20 10 CDCDRO CC[C@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000077111462 780322977 /nfs/dbraw/zinc/32/29/77/780322977.db2.gz HEALFVJXLYAHHC-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2(C)C[NH2+]C2)c1 ZINC000817997346 780438398 /nfs/dbraw/zinc/43/83/98/780438398.db2.gz ZUFBTGYMNYPUNS-VIFPVBQESA-N 1 0 264.325 1.188 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843483818 780669708 /nfs/dbraw/zinc/66/97/08/780669708.db2.gz FKXRDXSPSAKPJB-KGLIPLIRSA-N 1 0 292.379 1.637 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000794833459 780835539 /nfs/dbraw/zinc/83/55/39/780835539.db2.gz DSCRKWDPZLRXQX-ATZCPNFKSA-N 1 0 269.316 1.677 20 10 CDCDRO CN(C)c1ncc(C[N@H+](C)Cc2ccccc2O)n1C ZINC000822442970 780861041 /nfs/dbraw/zinc/86/10/41/780861041.db2.gz LUEUVHJXEFWMRI-UHFFFAOYSA-N 1 0 274.368 1.824 20 10 CDCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1c(F)ccc(O)c1O ZINC000817770486 780932327 /nfs/dbraw/zinc/93/23/27/780932327.db2.gz UMQLSARKXWLLBK-SECBINFHSA-N 1 0 282.315 1.403 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000135213569 780982703 /nfs/dbraw/zinc/98/27/03/780982703.db2.gz ZKNVKHWQELYFSB-ZYHUDNBSSA-N 1 0 251.326 1.915 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c(O)c1 ZINC000704337398 780994459 /nfs/dbraw/zinc/99/44/59/780994459.db2.gz DDXCDMKZVXFMGU-AAEUAGOBSA-N 1 0 262.353 1.972 20 10 CDCDRO Cc1cc(C[N@@H+]2CCSC[C@@H]2CO)ccc1N(C)C ZINC000815078143 781016003 /nfs/dbraw/zinc/01/60/03/781016003.db2.gz PHUVUSZYHXNWCQ-AWEZNQCLSA-N 1 0 280.437 1.971 20 10 CDCDRO C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2O)CCO1 ZINC000171927065 781044854 /nfs/dbraw/zinc/04/48/54/781044854.db2.gz UYCRSPWRGKOWLR-GFCCVEGCSA-N 1 0 278.352 1.071 20 10 CDCDRO CCC[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000827210548 781154052 /nfs/dbraw/zinc/15/40/52/781154052.db2.gz UPVRFFFOOJUJSW-LLVKDONJSA-N 1 0 250.342 1.739 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCNC(=O)N(C)C)c1O ZINC000779431683 781223496 /nfs/dbraw/zinc/22/34/96/781223496.db2.gz BAOPCMOPAUKUND-UHFFFAOYSA-N 1 0 295.383 1.494 20 10 CDCDRO COCC1([NH2+]Cc2ccccc2O)CCOCC1 ZINC000814302533 781305539 /nfs/dbraw/zinc/30/55/39/781305539.db2.gz WTJKQTVBUUBWAW-UHFFFAOYSA-N 1 0 251.326 1.677 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCSC[C@@H]2CO)cc1C ZINC000877780300 781374251 /nfs/dbraw/zinc/37/42/51/781374251.db2.gz MFCKEJYQOBQIBF-ZDUSSCGKSA-N 1 0 267.394 1.919 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2C)c2c1c(F)ccc2O ZINC000806659929 781513673 /nfs/dbraw/zinc/51/36/73/781513673.db2.gz KCWYHNSPJGKTOE-LDYMZIIASA-N 1 0 276.315 1.998 20 10 CDCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C ZINC000781001866 781551808 /nfs/dbraw/zinc/55/18/08/781551808.db2.gz QMVMLMUJYBWVGH-VXGBXAGGSA-N 1 0 292.379 1.961 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CC[C@@]1(O)CCCOC1)OCO2 ZINC000846112140 781746960 /nfs/dbraw/zinc/74/69/60/781746960.db2.gz XLQCDAGOWWWEKQ-HNNXBMFYSA-N 1 0 295.335 1.142 20 10 CDCDRO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1O ZINC000775129672 781810433 /nfs/dbraw/zinc/81/04/33/781810433.db2.gz IMLOCHRRHZXPKR-SNVBAGLBSA-N 1 0 258.325 1.781 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000841062297 781817435 /nfs/dbraw/zinc/81/74/35/781817435.db2.gz IUCMPKHLNYWOGL-KOLCDFICSA-N 1 0 295.339 1.539 20 10 CDCDRO C[C@@H]1[NH2+]CCN(C(=O)NCCc2ccc(N)cc2)[C@H]1C ZINC000841955934 781849432 /nfs/dbraw/zinc/84/94/32/781849432.db2.gz RSYKSYPEZCAJTK-RYUDHWBXSA-N 1 0 276.384 1.203 20 10 CDCDRO CON(C)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000883171363 781892529 /nfs/dbraw/zinc/89/25/29/781892529.db2.gz WMPOOTSANLRENU-UHFFFAOYSA-N 1 0 258.749 1.937 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](C)O)C2)cc1 ZINC000076360850 783268895 /nfs/dbraw/zinc/26/88/95/783268895.db2.gz QSVCHWLWSAHBMC-STQMWFEESA-N 1 0 264.369 1.492 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCN2C)c1 ZINC000922575943 783313260 /nfs/dbraw/zinc/31/32/60/783313260.db2.gz QGMJRWNNCZGZJR-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO OCCC[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816508779 783322389 /nfs/dbraw/zinc/32/23/89/783322389.db2.gz UPMFRRGIWPPBMX-UHFFFAOYSA-N 1 0 275.348 1.722 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccccc1O ZINC000879649785 783352098 /nfs/dbraw/zinc/35/20/98/783352098.db2.gz USTVUZOWVOLHDV-FRRDWIJNSA-N 1 0 292.379 1.727 20 10 CDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886253582 783361315 /nfs/dbraw/zinc/36/13/15/783361315.db2.gz AVZXIGRKEHGTDN-IDTJRCBMSA-N 1 0 276.380 1.240 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1 ZINC000824559014 783365351 /nfs/dbraw/zinc/36/53/51/783365351.db2.gz COUCHPVNZITKRV-KRWDZBQOSA-N 1 0 291.439 1.689 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1(C)C[NH2+]C1 ZINC000829764634 783414076 /nfs/dbraw/zinc/41/40/76/783414076.db2.gz QXBPWVVUAXQJLU-UHFFFAOYSA-N 1 0 261.369 1.287 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)N(C)C)c1O ZINC000846143343 783418710 /nfs/dbraw/zinc/41/87/10/783418710.db2.gz ZOWODVCTQIDTHK-SNVBAGLBSA-N 1 0 266.341 1.530 20 10 CDCDRO Cc1ccc(C[N@H+](C)CCN2CCOCC2)c(O)c1 ZINC000876681512 783419125 /nfs/dbraw/zinc/41/91/25/783419125.db2.gz UDNBNPMTHCZGEB-UHFFFAOYSA-N 1 0 264.369 1.465 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2cccc(OC)c2O)CCOC1 ZINC000775033128 783460492 /nfs/dbraw/zinc/46/04/92/783460492.db2.gz KZCAGXUOTHYQNC-OAHLLOKOSA-N 1 0 281.352 1.686 20 10 CDCDRO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649139 1166392795 /nfs/dbraw/zinc/39/27/95/1166392795.db2.gz MQRAZPDJYSIMMS-MNOVXSKESA-N 1 0 293.367 1.666 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC000718144535 1166860657 /nfs/dbraw/zinc/86/06/57/1166860657.db2.gz FSDUSRUSIQLUSC-BETUJISGSA-N 1 0 263.337 1.869 20 10 CDCDRO CCOC[C@@H]1CN(Cc2ccc(N)cc2)CCO1 ZINC000705863830 894803276 /nfs/dbraw/zinc/80/32/76/894803276.db2.gz MPVPHCKHDVFYRL-AWEZNQCLSA-N 1 0 250.342 1.506 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C ZINC000090720543 895887675 /nfs/dbraw/zinc/88/76/75/895887675.db2.gz LLOXYNQZLBDAQZ-CMPLNLGQSA-N 1 0 278.352 1.693 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c1 ZINC001272636571 914241258 /nfs/dbraw/zinc/24/12/58/914241258.db2.gz GRVKSCJGJFMDFB-MRXNPFEDSA-N 1 0 290.363 1.598 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001140922100 898880920 /nfs/dbraw/zinc/88/09/20/898880920.db2.gz HHAFIDOHZNISGH-SWLSCSKDSA-N 1 0 298.814 1.581 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000194932794 900166236 /nfs/dbraw/zinc/16/62/36/900166236.db2.gz OCXOGMPEOFTCRI-SNVBAGLBSA-N 1 0 272.352 1.566 20 10 CDCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)S(C)(=O)=O ZINC000697567083 908782139 /nfs/dbraw/zinc/78/21/39/908782139.db2.gz HJOIJCCCDUEDBA-MWLCHTKSSA-N 1 0 269.366 1.402 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000841967304 908838918 /nfs/dbraw/zinc/83/89/18/908838918.db2.gz MMUBDOFBWULGMF-JTQLQIEISA-N 1 0 251.330 1.271 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)C(=O)NC ZINC000697858395 909366751 /nfs/dbraw/zinc/36/67/51/909366751.db2.gz MIWBUCJWXUAPNU-NSHDSACASA-N 1 0 252.314 1.015 20 10 CDCDRO CC(C)NC(=O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000036781618 909758986 /nfs/dbraw/zinc/75/89/86/909758986.db2.gz HLMULWCPTVNFMM-UHFFFAOYSA-N 1 0 256.733 1.660 20 10 CDCDRO CCCNC(=O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000036780995 909759561 /nfs/dbraw/zinc/75/95/61/909759561.db2.gz CAXNXOVQEIFKLU-LLVKDONJSA-N 1 0 250.342 1.877 20 10 CDCDRO O=C1CC[C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CCN12 ZINC001172148786 911360765 /nfs/dbraw/zinc/36/07/65/911360765.db2.gz BVCUPMACFLKLKB-LSDHHAIUSA-N 1 0 286.375 1.865 20 10 CDCDRO CCOCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172407296 911633739 /nfs/dbraw/zinc/63/37/39/911633739.db2.gz VRJSAKSWHYLOHZ-IINYFYTJSA-N 1 0 269.341 1.536 20 10 CDCDRO COc1cc(C)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(O)c1 ZINC001236579991 915689052 /nfs/dbraw/zinc/68/90/52/915689052.db2.gz POYXNYAMWAZHSH-VXGBXAGGSA-N 1 0 264.369 1.891 20 10 CDCDRO Cc1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1N(C)C ZINC001139670191 936332111 /nfs/dbraw/zinc/33/21/11/936332111.db2.gz ZBPOFGBLDKEGIJ-CQSZACIVSA-N 1 0 275.396 1.758 20 10 CDCDRO COc1cccc(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000070175479 917204259 /nfs/dbraw/zinc/20/42/59/917204259.db2.gz BILZQOTXMNOBLR-DGCLKSJQSA-N 1 0 264.369 1.960 20 10 CDCDRO CCOCCNC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182414215 917310757 /nfs/dbraw/zinc/31/07/57/917310757.db2.gz CSWNYLQKEGSMEU-LLVKDONJSA-N 1 0 296.367 1.204 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC001181983588 917523566 /nfs/dbraw/zinc/52/35/66/917523566.db2.gz YIJHDSDCBOHFDA-CYBMUJFWSA-N 1 0 262.353 1.739 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000826999846 936471039 /nfs/dbraw/zinc/47/10/39/936471039.db2.gz CGUCFLZQXVEAQH-ZDUSSCGKSA-N 1 0 276.336 1.727 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCOCC3)cc2)CC1 ZINC000082713163 918034532 /nfs/dbraw/zinc/03/45/32/918034532.db2.gz AFSIRFYXLGWDRM-UHFFFAOYSA-N 1 0 275.396 1.271 20 10 CDCDRO COc1cccc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c1O ZINC001203596842 919266067 /nfs/dbraw/zinc/26/60/67/919266067.db2.gz ONJRLJPRIKXOTD-TZMCWYRMSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1cc(CN2CCCO2)cc(C[NH+](C)C)c1O ZINC001139253032 936611907 /nfs/dbraw/zinc/61/19/07/936611907.db2.gz JEFSXEAVVWGSLJ-UHFFFAOYSA-N 1 0 266.341 1.600 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1F ZINC000827906664 936613248 /nfs/dbraw/zinc/61/32/48/936613248.db2.gz QYMPSZMTSGLZMA-ZDUSSCGKSA-N 1 0 279.359 1.635 20 10 CDCDRO Cc1cc(C[NH+]2CC3(C2)CCN(C)C3=O)ccc1N(C)C ZINC001139673394 936634797 /nfs/dbraw/zinc/63/47/97/936634797.db2.gz BEDUOPINHBVLNT-UHFFFAOYSA-N 1 0 287.407 1.725 20 10 CDCDRO C[C@@H]([NH3+])CN(C)Cc1cc(Br)ccc1O ZINC000389604249 936647302 /nfs/dbraw/zinc/64/73/02/936647302.db2.gz XAKRLHCFBKCNEX-MRVPVSSYSA-N 1 0 273.174 1.934 20 10 CDCDRO CN(C)C(=O)C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140055085 936674454 /nfs/dbraw/zinc/67/44/54/936674454.db2.gz HRCWWUGPIDKMLL-UHFFFAOYSA-N 1 0 252.289 1.051 20 10 CDCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC001140056472 936675072 /nfs/dbraw/zinc/67/50/72/936675072.db2.gz YDTHGEQOGJVHFW-SMDDNHRTSA-N 1 0 292.354 1.974 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CCN(C(N)=O)CC2)c1O ZINC001140179036 936684403 /nfs/dbraw/zinc/68/44/03/936684403.db2.gz FPDRKCQYPKRXHU-UHFFFAOYSA-N 1 0 263.341 1.205 20 10 CDCDRO C[NH+](C)C[C@@H]1COCCN1Cc1c(O)cccc1Cl ZINC001140341840 936703477 /nfs/dbraw/zinc/70/34/77/936703477.db2.gz JQLUPHNMDKVPMP-LLVKDONJSA-N 1 0 284.787 1.808 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1 ZINC000834908679 936709687 /nfs/dbraw/zinc/70/96/87/936709687.db2.gz LDNUWDMWHKRYBQ-MEBBXXQBSA-N 1 0 278.352 1.720 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(C3COC3)CC2)c1 ZINC001140617683 936731206 /nfs/dbraw/zinc/73/12/06/936731206.db2.gz WTVURQXKFDZKBX-UHFFFAOYSA-N 1 0 262.353 1.217 20 10 CDCDRO Cc1ccc(O)c(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)c1 ZINC001140622756 936731925 /nfs/dbraw/zinc/73/19/25/936731925.db2.gz FVZHQYYBCLGHHP-CQSZACIVSA-N 1 0 276.380 1.606 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3ccc(C)cc3O)C2)C1 ZINC001140950184 936783384 /nfs/dbraw/zinc/78/33/84/936783384.db2.gz UNLSLFNHRLFHOB-UHFFFAOYSA-N 1 0 274.364 1.755 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c(O)c1 ZINC001140955287 936783688 /nfs/dbraw/zinc/78/36/88/936783688.db2.gz RXZKQZBLNDZAGL-UHFFFAOYSA-N 1 0 260.337 1.365 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(F)ccc1O ZINC000704357783 922869325 /nfs/dbraw/zinc/86/93/25/922869325.db2.gz QYRWXTPQPCAGAQ-JOYOIKCWSA-N 1 0 266.316 1.803 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c(OC)c1 ZINC001141029201 936794994 /nfs/dbraw/zinc/79/49/94/936794994.db2.gz LWCCACFHYGFTDV-PHIMTYICSA-N 1 0 291.347 1.820 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000706734149 923088472 /nfs/dbraw/zinc/08/84/72/923088472.db2.gz OMIDWRNXTNLUCN-MRCXROJRSA-N 1 0 267.325 1.201 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156510 936821298 /nfs/dbraw/zinc/82/12/98/936821298.db2.gz ZEPLANWZQHRGEC-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO Oc1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c1 ZINC001141156583 936821515 /nfs/dbraw/zinc/82/15/15/936821515.db2.gz NXFXCUHOEGSVFL-AAEUAGOBSA-N 1 0 255.289 1.393 20 10 CDCDRO CC(C)C[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141157931 936822295 /nfs/dbraw/zinc/82/22/95/936822295.db2.gz QYGUXILEILTZQF-UHFFFAOYSA-N 1 0 264.369 1.871 20 10 CDCDRO CCOC(=O)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141158262 936822391 /nfs/dbraw/zinc/82/23/91/936822391.db2.gz WFMVVZALNLATPA-UHFFFAOYSA-N 1 0 279.336 1.873 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](CO)C3)ccc21 ZINC001141139041 936818599 /nfs/dbraw/zinc/81/85/99/936818599.db2.gz HEPSUIULSOIQRF-CQSZACIVSA-N 1 0 276.380 1.720 20 10 CDCDRO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccccc1O ZINC000228422508 936882621 /nfs/dbraw/zinc/88/26/21/936882621.db2.gz SFCYXGWKTQIVAH-LBPRGKRZSA-N 1 0 262.353 1.788 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000839196922 936908310 /nfs/dbraw/zinc/90/83/10/936908310.db2.gz YKQTXKGGDCJQML-LBPRGKRZSA-N 1 0 278.352 1.407 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000839665041 936919043 /nfs/dbraw/zinc/91/90/43/936919043.db2.gz GIYRMOQGITZBDP-GOEBONIOSA-N 1 0 278.396 1.318 20 10 CDCDRO CN(C)c1cc(F)c(CNC[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC001118909389 924951554 /nfs/dbraw/zinc/95/15/54/924951554.db2.gz SOWPXAKWYLMRME-HNNXBMFYSA-N 1 0 299.365 1.187 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000841656236 937010045 /nfs/dbraw/zinc/01/00/45/937010045.db2.gz XVHSXKUDMIMYBN-UHFFFAOYSA-N 1 0 292.427 1.879 20 10 CDCDRO CC[N@H+](CCNC(=O)NCCc1ccc(N)cc1)C(C)C ZINC000841776536 937014141 /nfs/dbraw/zinc/01/41/41/937014141.db2.gz KCTGCONZHVVJSB-UHFFFAOYSA-N 1 0 292.427 1.841 20 10 CDCDRO [NH3+][C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000841858307 937018538 /nfs/dbraw/zinc/01/85/38/937018538.db2.gz WUMRQXIVKOIYCN-SECBINFHSA-N 1 0 286.426 1.368 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843369346 925776437 /nfs/dbraw/zinc/77/64/37/925776437.db2.gz ZCRBNGXHBXGZGJ-MRXNPFEDSA-N 1 0 292.354 1.919 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(O)cccc1OC ZINC000843121940 937114564 /nfs/dbraw/zinc/11/45/64/937114564.db2.gz MANHJTOYSVCPAP-QWRGUYRKSA-N 1 0 268.332 1.533 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001143104742 937120671 /nfs/dbraw/zinc/12/06/71/937120671.db2.gz YZNZIYGCNKEJSP-UKRRQHHQSA-N 1 0 293.407 1.865 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ncnn1CCF ZINC000843350578 937141001 /nfs/dbraw/zinc/14/10/01/937141001.db2.gz PGURWMREMSAEHB-UHFFFAOYSA-N 1 0 289.358 1.659 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000852898917 927912216 /nfs/dbraw/zinc/91/22/16/927912216.db2.gz AWLPFNXZTUXHJJ-CVEARBPZSA-N 1 0 287.407 1.944 20 10 CDCDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1=CC(=O)CS1 ZINC000854649844 928257174 /nfs/dbraw/zinc/25/71/74/928257174.db2.gz HKWSWQCSWKZNKN-WCBMZHEXSA-N 1 0 254.355 1.618 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000692819984 937234324 /nfs/dbraw/zinc/23/43/24/937234324.db2.gz TYHQLQWKPISAFL-UHFFFAOYSA-N 1 0 291.800 1.960 20 10 CDCDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1O ZINC000783533497 937274421 /nfs/dbraw/zinc/27/44/21/937274421.db2.gz RHQFQKPEQHBUAS-BXUZGUMPSA-N 1 0 265.353 1.830 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CNC(=O)C2)cc1F ZINC000858176531 928815152 /nfs/dbraw/zinc/81/51/52/928815152.db2.gz AMUIGNILQLNLOY-VIFPVBQESA-N 1 0 283.322 1.257 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC000862756207 929465594 /nfs/dbraw/zinc/46/55/94/929465594.db2.gz TYOHXCLPKIDIIF-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000788271165 929501101 /nfs/dbraw/zinc/50/11/01/929501101.db2.gz ZRXYGLVTBLFNBD-YOEHRIQHSA-N 1 0 289.423 1.394 20 10 CDCDRO COc1cccc(CN(C)C[C@H]2CCC[N@@H+]2C)c1O ZINC000211639640 929850106 /nfs/dbraw/zinc/85/01/06/929850106.db2.gz WOEUHVVZZSFXLZ-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CNc1cccc(O)c1O ZINC001253195333 929938353 /nfs/dbraw/zinc/93/83/53/929938353.db2.gz QQMPHPNDUSTMFB-SNVBAGLBSA-N 1 0 254.330 1.212 20 10 CDCDRO CCOCc1cc(C[NH2+]CCN(C)OC)ccc1OC ZINC000883172299 930156000 /nfs/dbraw/zinc/15/60/00/930156000.db2.gz CREXOKDKEAOVTI-UHFFFAOYSA-N 1 0 282.384 1.815 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000131794912 930201259 /nfs/dbraw/zinc/20/12/59/930201259.db2.gz WWPGFWVJUMODKJ-ZDUSSCGKSA-N 1 0 299.392 1.458 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000817954172 930644259 /nfs/dbraw/zinc/64/42/59/930644259.db2.gz XCASIOSMCYQDPU-UWVGGRQHSA-N 1 0 266.341 1.567 20 10 CDCDRO Nc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000817958842 930644434 /nfs/dbraw/zinc/64/44/34/930644434.db2.gz ZOEIOAIPAOSHKF-HZPDHXFCSA-N 1 0 275.396 1.168 20 10 CDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)C(C)(C)n1cncn1 ZINC000817958251 930645761 /nfs/dbraw/zinc/64/57/61/930645761.db2.gz VBEMOCDZCRARPN-GFCCVEGCSA-N 1 0 273.384 1.816 20 10 CDCDRO COC(=O)CC1CC([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000818333017 930704447 /nfs/dbraw/zinc/70/44/47/930704447.db2.gz SCPJXTBRMPXWHQ-UHFFFAOYSA-N 1 0 279.336 1.832 20 10 CDCDRO CC[C@H]1CN(C)CCN1C(=O)c1cccc(O)c1O ZINC000818972849 930747016 /nfs/dbraw/zinc/74/70/16/930747016.db2.gz ZPVCJIXUHVDAJR-JTQLQIEISA-N 1 0 264.325 1.264 20 10 CDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886246907 930837563 /nfs/dbraw/zinc/83/75/63/930837563.db2.gz AVZXIGRKEHGTDN-LFEHVRHOSA-N 1 0 276.380 1.240 20 10 CDCDRO CN(C)c1ccc(CNC(=[NH2+])NCC(F)F)cc1 ZINC000887347249 931064507 /nfs/dbraw/zinc/06/45/07/931064507.db2.gz MYFACJLHSBTTMJ-UHFFFAOYSA-N 1 0 256.300 1.632 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001153886080 937480936 /nfs/dbraw/zinc/48/09/36/937480936.db2.gz VLYDKNVHNOBXCL-WCQYABFASA-N 1 0 292.379 1.834 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1O ZINC000825017185 931488785 /nfs/dbraw/zinc/48/87/85/931488785.db2.gz OCKCBLAFKCBFFN-ZIAGYGMSSA-N 1 0 251.326 1.201 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)C1CCC1 ZINC000825240574 931497313 /nfs/dbraw/zinc/49/73/13/931497313.db2.gz MPTWXVDVSZIMNQ-CYBMUJFWSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCCC1 ZINC000825505538 931506997 /nfs/dbraw/zinc/50/69/97/931506997.db2.gz KUDWYWDHNVZJGX-SNVBAGLBSA-N 1 0 296.342 1.841 20 10 CDCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)ccc1O ZINC001275276360 931720700 /nfs/dbraw/zinc/72/07/00/931720700.db2.gz JUIGOFGIWLVHQU-BETUJISGSA-N 1 0 282.771 1.560 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c1 ZINC001275311812 931731468 /nfs/dbraw/zinc/73/14/68/931731468.db2.gz OSZVVEZJDDTAKH-UHFFFAOYSA-N 1 0 298.390 1.742 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC001144499511 931858103 /nfs/dbraw/zinc/85/81/03/931858103.db2.gz HJJYSGWWHWKTKF-VIFPVBQESA-N 1 0 253.298 1.150 20 10 CDCDRO OC[C@@]1(F)CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144503712 931863851 /nfs/dbraw/zinc/86/38/51/931863851.db2.gz AUCGXWXYDHELMC-CQSZACIVSA-N 1 0 285.315 1.490 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1O ZINC001144504183 931865289 /nfs/dbraw/zinc/86/52/89/931865289.db2.gz NIHPUMODPNUAGC-AMIZOPFISA-N 1 0 253.298 1.006 20 10 CDCDRO Oc1cc(O)c(CN2CC(Oc3cccnc3)C2)c(O)c1 ZINC001144508954 931874662 /nfs/dbraw/zinc/87/46/62/931874662.db2.gz FHVZTLPFQXGKGX-UHFFFAOYSA-N 1 0 288.303 1.462 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCOCC3)c(O)c1 ZINC001144509249 931874878 /nfs/dbraw/zinc/87/48/78/931874878.db2.gz QHRXVRFIVPSMHB-UHFFFAOYSA-N 1 0 265.309 1.416 20 10 CDCDRO OCC[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514627 931877415 /nfs/dbraw/zinc/87/74/15/931877415.db2.gz MJJJRWGPXNRTIK-SNVBAGLBSA-N 1 0 267.325 1.398 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)c1 ZINC000846094906 931970655 /nfs/dbraw/zinc/97/06/55/931970655.db2.gz VAOLRIDMYVCTAI-LBPRGKRZSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)OCCO)c1O ZINC000846168369 931983922 /nfs/dbraw/zinc/98/39/22/931983922.db2.gz AIKXWVPXNYOMLC-LLVKDONJSA-N 1 0 283.368 1.839 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCCc2cnn(C)n2)c1O ZINC000846169841 931983950 /nfs/dbraw/zinc/98/39/50/931983950.db2.gz KLEUEZDMNDMIKM-NSHDSACASA-N 1 0 290.367 1.813 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C)C2)c1O ZINC000846143218 931986467 /nfs/dbraw/zinc/98/64/67/931986467.db2.gz CTPXOLGUWCCVMB-QWRGUYRKSA-N 1 0 250.342 1.756 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)cc1 ZINC001275833321 932075994 /nfs/dbraw/zinc/07/59/94/932075994.db2.gz GZLJJLVXEMXEEI-IYBDPMFKSA-N 1 0 275.396 1.267 20 10 CDCDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc2c(cc1O)OCO2 ZINC000846699523 932116214 /nfs/dbraw/zinc/11/62/14/932116214.db2.gz UCJNJBZCZOAQCY-ONGXEEELSA-N 1 0 264.325 1.433 20 10 CDCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CO ZINC000930351545 933363971 /nfs/dbraw/zinc/36/39/71/933363971.db2.gz PIMJHUPEQBEIGB-ZDUSSCGKSA-N 1 0 253.342 1.348 20 10 CDCDRO CC(C)[NH2+]CCC(=O)N(C)Cc1ccccc1O ZINC000037823786 934824449 /nfs/dbraw/zinc/82/44/49/934824449.db2.gz XKAFCPNRMFOPOP-UHFFFAOYSA-N 1 0 250.342 1.739 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001120486502 937802854 /nfs/dbraw/zinc/80/28/54/937802854.db2.gz UYBQPEDVHJUXSU-CABCVRRESA-N 1 0 288.395 1.695 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2CC2)cc1 ZINC000832300181 934852667 /nfs/dbraw/zinc/85/26/67/934852667.db2.gz NRNAHWVTJMQXKF-AWEZNQCLSA-N 1 0 261.369 1.669 20 10 CDCDRO CCC1(C[NH2+]Cc2cc(OC)ccc2O)COC1 ZINC000393962958 935875467 /nfs/dbraw/zinc/87/54/67/935875467.db2.gz IPVRVTWMKUAVCY-UHFFFAOYSA-N 1 0 251.326 1.917 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001156885464 938428664 /nfs/dbraw/zinc/42/86/64/938428664.db2.gz FQZHTWCVUFZEON-LBPRGKRZSA-N 1 0 292.379 1.834 20 10 CDCDRO CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@@H]1CCC[NH2+]C1 ZINC001161344714 938893654 /nfs/dbraw/zinc/89/36/54/938893654.db2.gz AYUUXRSUJODODO-SNVBAGLBSA-N 1 0 280.324 1.018 20 10 CDCDRO COc1ccc(CN2CCOC[C@@H]2C[NH+](C)C)c(O)c1 ZINC001203629038 939698103 /nfs/dbraw/zinc/69/81/03/939698103.db2.gz PHOGFRAHOHGXNF-ZDUSSCGKSA-N 1 0 280.368 1.163 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203875900 939710387 /nfs/dbraw/zinc/71/03/87/939710387.db2.gz YICXSNULWSANGG-LLVKDONJSA-N 1 0 251.326 1.692 20 10 CDCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(O)cc2O)C1 ZINC001204277708 939751190 /nfs/dbraw/zinc/75/11/90/939751190.db2.gz ISJUHZAJXLITIE-ZDUSSCGKSA-N 1 0 262.353 1.766 20 10 CDCDRO CC[N@H+](CCn1ccnc1)Cc1ccc(O)cc1O ZINC001204278040 939751236 /nfs/dbraw/zinc/75/12/36/939751236.db2.gz QJINZOUMTTUZGS-UHFFFAOYSA-N 1 0 261.325 1.816 20 10 CDCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001204279449 939752361 /nfs/dbraw/zinc/75/23/61/939752361.db2.gz ZFYOXJATWPJEPN-BXUZGUMPSA-N 1 0 262.353 1.624 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(O)cc2O)C[C@H]1C ZINC001204281083 939752389 /nfs/dbraw/zinc/75/23/89/939752389.db2.gz QBZGIOXGHSFRRA-SNVBAGLBSA-N 1 0 264.325 1.150 20 10 CDCDRO COc1cc(CN(C)Cc2cnn(C)c2)cc(O)c1O ZINC001204342404 939757576 /nfs/dbraw/zinc/75/75/76/939757576.db2.gz LLZIZIQCIANIFG-UHFFFAOYSA-N 1 0 277.324 1.472 20 10 CDCDRO C[C@@H]1CCN(Cc2c(O)ccc(F)c2F)C[C@@H]1[NH3+] ZINC001205880288 939950280 /nfs/dbraw/zinc/95/02/80/939950280.db2.gz BGBHFUKPTUIFDO-KCJUWKMLSA-N 1 0 256.296 1.840 20 10 CDCDRO Cc1c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206468286 940044690 /nfs/dbraw/zinc/04/46/90/940044690.db2.gz GQTJIRPYRVKDAA-BLLLJJGKSA-N 1 0 273.380 1.238 20 10 CDCDRO C[C@H]([NH2+]CCN1CCCC1=O)c1cc(F)ccc1O ZINC000405415313 940987114 /nfs/dbraw/zinc/98/71/14/940987114.db2.gz OQOXCVWDTMZINK-JTQLQIEISA-N 1 0 266.316 1.804 20 10 CDCDRO O=c1cc2[nH]cnc(O[C@@H]3C[NH2+]CCC34CC4)c-2cc1O ZINC001218401718 941213488 /nfs/dbraw/zinc/21/34/88/941213488.db2.gz DWSWAZMXQAWLAU-CYBMUJFWSA-N 1 0 287.319 1.562 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001276805987 941356246 /nfs/dbraw/zinc/35/62/46/941356246.db2.gz FKXQMFDJVIGFLM-BETUJISGSA-N 1 0 292.379 1.224 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC001219614131 941364977 /nfs/dbraw/zinc/36/49/77/941364977.db2.gz 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943414304 /nfs/dbraw/zinc/41/43/04/943414304.db2.gz SDWWKWPZFQSRFG-SMDDNHRTSA-N 1 0 264.369 1.661 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC001232838699 943415585 /nfs/dbraw/zinc/41/55/85/943415585.db2.gz BZOBQBQCJFBMNN-UHFFFAOYSA-N 1 0 292.379 1.797 20 10 CDCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc(O)c(O)cc3O)C2)C1 ZINC001233486526 943595963 /nfs/dbraw/zinc/59/59/63/943595963.db2.gz PTKHROPWSZMURS-OAHLLOKOSA-N 1 0 278.352 1.331 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@H]2CCN(C)C2)c(O)c1 ZINC000386868377 944104687 /nfs/dbraw/zinc/10/46/87/944104687.db2.gz VLAIOKAFUBOCCL-LBPRGKRZSA-N 1 0 250.342 1.537 20 10 CDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001235988241 944351671 /nfs/dbraw/zinc/35/16/71/944351671.db2.gz FYDWAHBFBOMAGJ-TVQRCGJNSA-N 1 0 268.744 1.674 20 10 CDCDRO C[N@H+](CCO)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001236254932 944438785 /nfs/dbraw/zinc/43/87/85/944438785.db2.gz FWLBTKDFNKJHQE-UHFFFAOYSA-N 1 0 260.381 1.810 20 10 CDCDRO COc1cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc(O)c1O ZINC001236575642 944511999 /nfs/dbraw/zinc/51/19/99/944511999.db2.gz STHZWRFYONJLMP-NXEZZACHSA-N 1 0 266.341 1.289 20 10 CDCDRO CCc1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)c1 ZINC001236792787 944571428 /nfs/dbraw/zinc/57/14/28/944571428.db2.gz RLFLCGQLLQGCHJ-GXTWGEPZSA-N 1 0 274.364 1.523 20 10 CDCDRO CCc1ccc(C[NH+]2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001236793743 944571456 /nfs/dbraw/zinc/57/14/56/944571456.db2.gz FEANDTLCDPYWJO-UHFFFAOYSA-N 1 0 262.353 1.475 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001236808567 944576701 /nfs/dbraw/zinc/57/67/01/944576701.db2.gz PUWLAGHKNRAKSH-OCCSQVGLSA-N 1 0 269.316 1.614 20 10 CDCDRO CCN1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236812658 944577712 /nfs/dbraw/zinc/57/77/12/944577712.db2.gz AMORUTWPTHAUCB-UHFFFAOYSA-N 1 0 264.369 1.847 20 10 CDCDRO CCOC(=O)C1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236812288 944578019 /nfs/dbraw/zinc/57/80/19/944578019.db2.gz BODPVFBZNXPAMV-UHFFFAOYSA-N 1 0 279.336 1.704 20 10 CDCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)cc(OC)cc1O ZINC001236815301 944578949 /nfs/dbraw/zinc/57/89/49/944578949.db2.gz JFOAGIJCJAPJQN-STQMWFEESA-N 1 0 276.380 1.988 20 10 CDCDRO CCOc1ccc(CN2CC[N@@H+]3CC[C@H]3C2)c(O)c1 ZINC001237046839 944646825 /nfs/dbraw/zinc/64/68/25/944646825.db2.gz GWDHMABJRIFLAY-ZDUSSCGKSA-N 1 0 262.353 1.681 20 10 CDCDRO O=C1NCC[C@]12CC[N@@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001237124245 944660645 /nfs/dbraw/zinc/66/06/45/944660645.db2.gz NFXLGGKLSQFLOQ-CQSZACIVSA-N 1 0 298.745 1.897 20 10 CDCDRO COc1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(O)c1O ZINC001237384796 944741666 /nfs/dbraw/zinc/74/16/66/944741666.db2.gz YOEFYQNBHBABAE-QWHCGFSZSA-N 1 0 292.379 1.680 20 10 CDCDRO O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237402371 944755519 /nfs/dbraw/zinc/75/55/19/944755519.db2.gz HAACHQHXMSWTMS-JSGCOSHPSA-N 1 0 290.363 1.664 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001237681398 944923763 /nfs/dbraw/zinc/92/37/63/944923763.db2.gz OYKHKXWJIQZCOG-GXFFZTMASA-N 1 0 285.771 1.529 20 10 CDCDRO Cc1nc2c(ccn2C)c(-c2cncc(C[NH3+])c2)n1 ZINC001239792071 945584987 /nfs/dbraw/zinc/58/49/87/945584987.db2.gz PPADCPOAQSVGOJ-UHFFFAOYSA-N 1 0 253.309 1.797 20 10 CDCDRO CC(C)C[NH2+]CC(=O)N[C@H](C)c1ccccc1O ZINC001262009978 946370128 /nfs/dbraw/zinc/37/01/28/946370128.db2.gz OXYIIBCDOJQXGX-LLVKDONJSA-N 1 0 250.342 1.815 20 10 CDCDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001262603858 946759485 /nfs/dbraw/zinc/75/94/85/946759485.db2.gz XLXMNMQVMJZWCW-CYBMUJFWSA-N 1 0 290.411 1.895 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CN1 ZINC001246899620 948508605 /nfs/dbraw/zinc/50/86/05/948508605.db2.gz FGJOVIQAUUJOJR-GJZGRUSLSA-N 1 0 291.395 1.088 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCCSC2)cc1O ZINC001257655020 948617515 /nfs/dbraw/zinc/61/75/15/948617515.db2.gz LHGKNDWRPWLDOO-GWCFXTLKSA-N 1 0 269.366 1.616 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001249171624 949433833 /nfs/dbraw/zinc/43/38/33/949433833.db2.gz DNVPEQNRACQNBT-MFKMUULPSA-N 1 0 281.327 1.898 20 10 CDCDRO CC(C)C[NH2+]CC(=O)NCCCSc1nccs1 ZINC001326302206 954310518 /nfs/dbraw/zinc/31/05/18/954310518.db2.gz DNFQZMWZAOHVOV-UHFFFAOYSA-N 1 0 287.454 1.987 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC000839170578 955053087 /nfs/dbraw/zinc/05/30/87/955053087.db2.gz OLFSXHLUCVRAAD-DOTOQJQBSA-N 1 0 290.407 1.462 20 10 CDCDRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1C1CC1 ZINC001308303257 956514408 /nfs/dbraw/zinc/51/44/08/956514408.db2.gz GIKULNVDAKBBNI-CYBMUJFWSA-N 1 0 272.348 1.474 20 10 CDCDRO Nc1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC001334775098 959349455 /nfs/dbraw/zinc/34/94/55/959349455.db2.gz RFLXZVGDGHSUGD-QGZVFWFLSA-N 1 0 289.423 1.956 20 10 CDCDRO C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001335535820 959871509 /nfs/dbraw/zinc/87/15/09/959871509.db2.gz AGTQCIAFKZDNAF-YPMHNXCESA-N 1 0 276.384 1.456 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)NCc1ccc(N)cc1 ZINC001335552008 959885938 /nfs/dbraw/zinc/88/59/38/959885938.db2.gz TYLZEDSQYSSNGX-SNVBAGLBSA-N 1 0 250.346 1.066 20 10 CDCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N)cc2)C1 ZINC001336284663 960288576 /nfs/dbraw/zinc/28/85/76/960288576.db2.gz BOBFTWHNYSHZMS-AWEZNQCLSA-N 1 0 261.369 1.569 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001338733071 961969009 /nfs/dbraw/zinc/96/90/09/961969009.db2.gz XPTSFFNOVAMQGY-ZDUSSCGKSA-N 1 0 274.368 1.305 20 10 CDCDRO CC[C@@H]([NH3+])CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001345103931 964575598 /nfs/dbraw/zinc/57/55/98/964575598.db2.gz JIHNMXAUCPVEIT-CQSZACIVSA-N 1 0 294.418 1.404 20 10 CDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001351507538 966946474 /nfs/dbraw/zinc/94/64/74/966946474.db2.gz MILGLVHJHBOUBY-UGZDLDLSSA-N 1 0 290.379 1.887 20 10 CDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000848565788 969177418 /nfs/dbraw/zinc/17/74/18/969177418.db2.gz MCCDWUPKNCDOQQ-SECBINFHSA-N 1 0 292.770 1.821 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC001357465173 969595706 /nfs/dbraw/zinc/59/57/06/969595706.db2.gz ZZPORZJZKLQZMJ-OCCSQVGLSA-N 1 0 276.384 1.586 20 10 CDCDRO COCCOCCOCCC[NH2+]Cc1cccc(C)c1O ZINC000274457158 365671762 /nfs/dbraw/zinc/67/17/62/365671762.db2.gz UIJWIZIOVSXENU-UHFFFAOYSA-N 1 0 297.395 1.860 20 10 CDCDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295096162 199342320 /nfs/dbraw/zinc/34/23/20/199342320.db2.gz SBVGCDXEGPHBBV-SECBINFHSA-N 1 0 267.325 1.760 20 10 CDCDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112018076 365853674 /nfs/dbraw/zinc/85/36/74/365853674.db2.gz XCYFFDZLLHRPHL-UHFFFAOYSA-N 1 0 289.335 1.761 20 10 CDCDRO OCC[N@H+](Cc1ccccc1O)C1CCOCC1 ZINC000275814836 366021496 /nfs/dbraw/zinc/02/14/96/366021496.db2.gz DRQVDAFHRJOQKT-UHFFFAOYSA-N 1 0 251.326 1.366 20 10 CDCDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037751965 356529157 /nfs/dbraw/zinc/52/91/57/356529157.db2.gz KOIIODDQLGUWFN-GFCCVEGCSA-N 1 0 263.385 1.882 20 10 CDCDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000179586328 357213799 /nfs/dbraw/zinc/21/37/99/357213799.db2.gz RWDISWPSBWUKKG-VXGBXAGGSA-N 1 0 282.359 1.694 20 10 CDCDRO CCOC(=O)CN(Cc1cc(OC)ccc1O)C1CC1 ZINC000179750713 357223123 /nfs/dbraw/zinc/22/31/23/357223123.db2.gz YTAWTTOOWBTERH-UHFFFAOYSA-N 1 0 279.336 1.928 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000180175225 357249881 /nfs/dbraw/zinc/24/98/81/357249881.db2.gz QAHUOPCXORWUSE-CQSZACIVSA-N 1 0 265.353 1.674 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H](C)O)c1O ZINC000051839016 357260853 /nfs/dbraw/zinc/26/08/53/357260853.db2.gz SCDUNPCUAFXJGI-MRVPVSSYSA-N 1 0 255.289 1.547 20 10 CDCDRO Cc1cccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1O ZINC000180578627 357276576 /nfs/dbraw/zinc/27/65/76/357276576.db2.gz TTWKKMVDVDXQRG-HNNXBMFYSA-N 1 0 290.407 1.855 20 10 CDCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000187666253 357791567 /nfs/dbraw/zinc/79/15/67/357791567.db2.gz GLDHMZCQMFULHC-IRXDYDNUSA-N 1 0 290.407 1.604 20 10 CDCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccccc1O ZINC000188747031 357933514 /nfs/dbraw/zinc/93/35/14/357933514.db2.gz ANFOQJPHSHPVCA-ZDUSSCGKSA-N 1 0 278.396 1.669 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000191182359 358118074 /nfs/dbraw/zinc/11/80/74/358118074.db2.gz NPJCSLCDWRIIMU-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(O)c1O ZINC000193131548 358268156 /nfs/dbraw/zinc/26/81/56/358268156.db2.gz OOJYGPSODXMTDA-NSHDSACASA-N 1 0 296.367 1.184 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(F)cc1[O-] ZINC000186505208 358801477 /nfs/dbraw/zinc/80/14/77/358801477.db2.gz KIOOLASGADJZAV-VIFPVBQESA-N 1 0 266.316 1.708 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000281524105 363817110 /nfs/dbraw/zinc/81/71/10/363817110.db2.gz HVBIELBKWZEIII-JSGCOSHPSA-N 1 0 266.385 1.801 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000281524107 363817151 /nfs/dbraw/zinc/81/71/51/363817151.db2.gz HVBIELBKWZEIII-TZMCWYRMSA-N 1 0 266.385 1.801 20 10 CDCDRO COc1cccc(CNC(=O)C2CC[NH+](C)CC2)c1O ZINC000269208194 364157683 /nfs/dbraw/zinc/15/76/83/364157683.db2.gz UXGUIZKSJRJRIQ-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000270247826 364517878 /nfs/dbraw/zinc/51/78/78/364517878.db2.gz UBGDAOVLVCKWPK-HNNXBMFYSA-N 1 0 274.368 1.309 20 10 CDCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2ccccc2O)C1 ZINC000271254594 364977713 /nfs/dbraw/zinc/97/77/13/364977713.db2.gz GKYPSDYLQNAMMY-ZDUSSCGKSA-N 1 0 253.273 1.479 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c(O)c1 ZINC000181232500 365025362 /nfs/dbraw/zinc/02/53/62/365025362.db2.gz IJAHQLDPKNQHNI-GFCCVEGCSA-N 1 0 278.352 1.210 20 10 CDCDRO CC[NH+]1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000272649642 365337324 /nfs/dbraw/zinc/33/73/24/365337324.db2.gz JWIMPHZVJKGREW-UHFFFAOYSA-N 1 0 278.352 1.620 20 10 CDCDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)O1 ZINC000375560359 370862638 /nfs/dbraw/zinc/86/26/38/370862638.db2.gz YRMSYCICFCNXHQ-CQSZACIVSA-N 1 0 262.309 1.467 20 10 CDCDRO Oc1cc2c(cc1CN1CCOC[C@]13CCOC3)OCO2 ZINC000282445787 367889551 /nfs/dbraw/zinc/88/95/51/367889551.db2.gz UTMHNZASHAJPQO-OAHLLOKOSA-N 1 0 293.319 1.112 20 10 CDCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(N)=O ZINC000282560794 367942419 /nfs/dbraw/zinc/94/24/19/367942419.db2.gz YLGDXABICHGMEZ-LLVKDONJSA-N 1 0 250.342 1.868 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000295053197 371123906 /nfs/dbraw/zinc/12/39/06/371123906.db2.gz PUBXXXGHZOGXDJ-OAHLLOKOSA-N 1 0 287.407 1.659 20 10 CDCDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000273405936 371162400 /nfs/dbraw/zinc/16/24/00/371162400.db2.gz HBKUAICEMAPITH-MRVPVSSYSA-N 1 0 264.304 1.851 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000219840319 262350515 /nfs/dbraw/zinc/35/05/15/262350515.db2.gz GETLJVGDKALHKB-SECBINFHSA-N 1 0 270.760 1.860 20 10 CDCDRO CCNC(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000121552566 390888125 /nfs/dbraw/zinc/88/81/25/390888125.db2.gz PNXRDAJAWGNGEA-UHFFFAOYSA-N 1 0 290.411 1.600 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000133335111 390902324 /nfs/dbraw/zinc/90/23/24/390902324.db2.gz AGLWHVPZEXOCNW-UHFFFAOYSA-N 1 0 262.353 1.659 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000093612028 390903369 /nfs/dbraw/zinc/90/33/69/390903369.db2.gz UBNBTVDMPPUKET-LBPRGKRZSA-N 1 0 291.269 1.900 20 10 CDCDRO OCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000127090281 390922164 /nfs/dbraw/zinc/92/21/64/390922164.db2.gz YPJKDYSCIBHNCB-UHFFFAOYSA-N 1 0 265.309 1.325 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000373739383 391130076 /nfs/dbraw/zinc/13/00/76/391130076.db2.gz XFYHGNGIIRHNGN-LNSITVRQSA-N 1 0 274.364 1.786 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000176750791 391157589 /nfs/dbraw/zinc/15/75/89/391157589.db2.gz PSFYSYVPQHFIPV-CYBMUJFWSA-N 1 0 253.367 1.658 20 10 CDCDRO CC1(O)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000177191198 391166142 /nfs/dbraw/zinc/16/61/42/391166142.db2.gz KPJDPEHLJYJJLF-UHFFFAOYSA-N 1 0 265.309 1.468 20 10 CDCDRO COc1cc(O)c(C[NH2+]C(C)(C)CCO)cc1OC ZINC000182220730 391232565 /nfs/dbraw/zinc/23/25/65/391232565.db2.gz KYEORPDVGAWRSF-UHFFFAOYSA-N 1 0 269.341 1.660 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000179579459 391212876 /nfs/dbraw/zinc/21/28/76/391212876.db2.gz YLJGYEKYZFIUNF-OAHLLOKOSA-N 1 0 295.379 1.764 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183420507 391264737 /nfs/dbraw/zinc/26/47/37/391264737.db2.gz CUADSFZGGKLHEX-NSHDSACASA-N 1 0 280.368 1.485 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)CC[S@@](C)=O)c1 ZINC000164758332 391290239 /nfs/dbraw/zinc/29/02/39/391290239.db2.gz IRVGVIAJQGLVQS-MGNBDDOMSA-N 1 0 271.382 1.648 20 10 CDCDRO Nc1ccc(OCc2cn(CC3CC[NH2+]CC3)nn2)cc1 ZINC000881428507 781994849 /nfs/dbraw/zinc/99/48/49/781994849.db2.gz GWHDRTLUXYSUQE-UHFFFAOYSA-N 1 0 287.367 1.439 20 10 CDCDRO CCOc1cccc(C[NH2+]CCNC(=O)C2CC2)c1O ZINC000134225367 393245919 /nfs/dbraw/zinc/24/59/19/393245919.db2.gz VCKFFOOMDDOIRO-UHFFFAOYSA-N 1 0 278.352 1.407 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000135761116 393311576 /nfs/dbraw/zinc/31/15/76/393311576.db2.gz LLDBVFLQSDQUOB-JTQLQIEISA-N 1 0 280.368 1.794 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)C(C)C ZINC000877538233 782003106 /nfs/dbraw/zinc/00/31/06/782003106.db2.gz YPRGDWZEJTXYSS-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO C[NH2+]CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167860790 261408328 /nfs/dbraw/zinc/40/83/28/261408328.db2.gz BSFRQZYTNCAHHJ-UHFFFAOYSA-N 1 0 275.396 1.759 20 10 CDCDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(F)ccc1O ZINC000186511566 262096528 /nfs/dbraw/zinc/09/65/28/262096528.db2.gz LSRRULVBWLPEGY-SECBINFHSA-N 1 0 292.314 1.335 20 10 CDCDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(O)c1O ZINC000187007439 262121205 /nfs/dbraw/zinc/12/12/05/262121205.db2.gz MKSDDYYFISOLJJ-VXGBXAGGSA-N 1 0 292.379 1.948 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922298882 782083117 /nfs/dbraw/zinc/08/31/17/782083117.db2.gz YBPIMPSRQULIDK-LLVKDONJSA-N 1 0 278.352 1.510 20 10 CDCDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)NCC(F)(F)F ZINC000113324174 327786238 /nfs/dbraw/zinc/78/62/38/327786238.db2.gz RUTKEHWVCMYWDC-UHFFFAOYSA-N 1 0 296.676 1.814 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000840177329 782088721 /nfs/dbraw/zinc/08/87/21/782088721.db2.gz ILDLYUZDWNKUMU-SNVBAGLBSA-N 1 0 292.335 1.031 20 10 CDCDRO Cc1ccc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(O)c1 ZINC000877458263 782094137 /nfs/dbraw/zinc/09/41/37/782094137.db2.gz NVIRSQKNLFSHEU-AWEZNQCLSA-N 1 0 292.423 1.978 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091542440 327102582 /nfs/dbraw/zinc/10/25/82/327102582.db2.gz MOSPQYNYDRDPSU-CHWSQXEVSA-N 1 0 261.369 1.496 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000187986659 329364743 /nfs/dbraw/zinc/36/47/43/329364743.db2.gz QEHRNRVTVRUSCJ-ZYHUDNBSSA-N 1 0 251.326 1.651 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CS(C)(=O)=O)c1 ZINC000078639592 330327081 /nfs/dbraw/zinc/32/70/81/330327081.db2.gz KPCSSEJCDNSAOK-SNVBAGLBSA-N 1 0 257.355 1.223 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000230666859 1161045261 /nfs/dbraw/zinc/04/52/61/1161045261.db2.gz BAXAGYAAEWHWNP-LLVKDONJSA-N 1 0 286.397 1.291 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1OC ZINC000274992696 520430691 /nfs/dbraw/zinc/43/06/91/520430691.db2.gz ZFZFKYCWQINEGY-NJZAAPMLSA-N 1 0 281.352 1.683 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000265240529 521152899 /nfs/dbraw/zinc/15/28/99/521152899.db2.gz LEAANZMPUPWJCL-UHFFFAOYSA-N 1 0 281.352 1.422 20 10 CDCDRO CCOC(CC[NH2+]Cc1cc2c(cc1O)OCO2)OCC ZINC000276264603 521629687 /nfs/dbraw/zinc/62/96/87/521629687.db2.gz URHMOJDESCAYJG-UHFFFAOYSA-N 1 0 297.351 2.000 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000062859180 522200406 /nfs/dbraw/zinc/20/04/06/522200406.db2.gz JPOVICPGNXELBE-INIZCTEOSA-N 1 0 275.396 1.759 20 10 CDCDRO CC[C@@H]([NH2+]CC1(CO)COC1)c1ccc(C)cc1O ZINC000280094035 522821285 /nfs/dbraw/zinc/82/12/85/522821285.db2.gz MSCHTBFOZZKBNB-CYBMUJFWSA-N 1 0 265.353 1.750 20 10 CDCDRO COCCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1O ZINC000276014316 523245960 /nfs/dbraw/zinc/24/59/60/523245960.db2.gz QIIBUWXTUICOBM-UHFFFAOYSA-N 1 0 299.367 1.240 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000295322664 523591731 /nfs/dbraw/zinc/59/17/31/523591731.db2.gz ZDELAMZRMYKOQI-KBPBESRZSA-N 1 0 261.369 1.316 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC000279891826 523971797 /nfs/dbraw/zinc/97/17/97/523971797.db2.gz SUOFWVGCOWUDMQ-ZYHUDNBSSA-N 1 0 276.336 1.264 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(F)F)c1 ZINC000280941406 525359929 /nfs/dbraw/zinc/35/99/29/525359929.db2.gz SMHYTDWMCXZXLT-SECBINFHSA-N 1 0 272.295 1.733 20 10 CDCDRO O=C(NCC[NH+]1CCCCC1)c1c(F)ccc(O)c1O ZINC000276554945 526307353 /nfs/dbraw/zinc/30/73/53/526307353.db2.gz ILNNIGJSGHDBEL-UHFFFAOYSA-N 1 0 282.315 1.453 20 10 CDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000368975405 526986792 /nfs/dbraw/zinc/98/67/92/526986792.db2.gz RAYGUIVNLZQVMN-OSMZGAPFSA-N 1 0 260.337 1.478 20 10 CDCDRO OCCOCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227333051 527556054 /nfs/dbraw/zinc/55/60/54/527556054.db2.gz BANQVXMAXNULCP-UHFFFAOYSA-N 1 0 251.326 1.110 20 10 CDCDRO COc1cccc(C[NH+]2CCC(OCCO)CC2)c1O ZINC000769537028 575357621 /nfs/dbraw/zinc/35/76/21/575357621.db2.gz GUPUCWIEKQSCAQ-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO CCC[N@H+](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773750106 575837728 /nfs/dbraw/zinc/83/77/28/575837728.db2.gz UFKNHSMAXMBRMJ-NSHDSACASA-N 1 0 280.368 1.487 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000765797248 576056716 /nfs/dbraw/zinc/05/67/16/576056716.db2.gz RBYQHCGCDHXZTD-RYUDHWBXSA-N 1 0 278.352 1.405 20 10 CDCDRO C[C@H]1COCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465949 576287792 /nfs/dbraw/zinc/28/77/92/576287792.db2.gz UEPULPRSCUDMFS-YGRLFVJLSA-N 1 0 279.336 1.286 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C ZINC000768466177 576287804 /nfs/dbraw/zinc/28/78/04/576287804.db2.gz NNJQNTMWYVGSAQ-ISTVAULSSA-N 1 0 263.337 1.906 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC2(C1)OCCO2 ZINC000769318714 576345511 /nfs/dbraw/zinc/34/55/11/576345511.db2.gz JWCFHVXOBUUFEL-UHFFFAOYSA-N 1 0 265.309 1.350 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCNC2=O)c1O ZINC000759424588 576387742 /nfs/dbraw/zinc/38/77/42/576387742.db2.gz RFTXLIQNALGLAD-GFCCVEGCSA-N 1 0 296.754 1.569 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccccc1O)[C@H]1CCSC1 ZINC000764068023 576777324 /nfs/dbraw/zinc/77/73/24/576777324.db2.gz KPXRKAJFZFSGCZ-LBPRGKRZSA-N 1 0 280.393 1.446 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1C ZINC000754084820 576878798 /nfs/dbraw/zinc/87/87/98/576878798.db2.gz CRUAWLUFTCINMK-LLVKDONJSA-N 1 0 271.382 1.532 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750040184 576972784 /nfs/dbraw/zinc/97/27/84/576972784.db2.gz UHCJVRNVLMZAID-TXEJJXNPSA-N 1 0 294.782 1.899 20 10 CDCDRO O=C(NC[C@@H]1CCC[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000892005658 617402836 /nfs/dbraw/zinc/40/28/36/617402836.db2.gz PJUMQEOBLIZQLR-NSHDSACASA-N 1 0 261.325 1.169 20 10 CDCDRO COc1ccc(C[N@H+](C)CC(C)(C)O)c(O)c1OC ZINC000892044127 617437222 /nfs/dbraw/zinc/43/72/22/617437222.db2.gz DZMRLIOJPDGKNO-UHFFFAOYSA-N 1 0 269.341 1.612 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1O ZINC000892092102 617476309 /nfs/dbraw/zinc/47/63/09/617476309.db2.gz INPRBNKSDBJZEV-LOWVWBTDSA-N 1 0 277.368 1.750 20 10 CDCDRO COc1ccc(C[NH2+]C(C)(C)[C@H](C)O)c(O)c1OC ZINC000893264905 617501791 /nfs/dbraw/zinc/50/17/91/617501791.db2.gz NLKMUDKMOGJYHN-VIFPVBQESA-N 1 0 269.341 1.658 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000841653118 617538498 /nfs/dbraw/zinc/53/84/98/617538498.db2.gz HIQSXWFSFCDQPI-CQSZACIVSA-N 1 0 276.384 1.289 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892208372 617552460 /nfs/dbraw/zinc/55/24/60/617552460.db2.gz ZILFPPQLARRAJR-JTQLQIEISA-N 1 0 296.367 1.223 20 10 CDCDRO CCCNC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000045071920 617589200 /nfs/dbraw/zinc/58/92/00/617589200.db2.gz GDYBTGVENRSTMY-LLVKDONJSA-N 1 0 280.368 1.968 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)C(C)(C)C)c(O)c1OC ZINC000893549074 618099221 /nfs/dbraw/zinc/09/92/21/618099221.db2.gz LGVUNQCZNSNBDR-GFCCVEGCSA-N 1 0 283.368 1.906 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1O ZINC000893945538 618211863 /nfs/dbraw/zinc/21/18/63/618211863.db2.gz DWSFVESXHQXEEU-NEPJUHHUSA-N 1 0 292.379 1.795 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c(O)c1OC ZINC000894043470 618289734 /nfs/dbraw/zinc/28/97/34/618289734.db2.gz RLTMRTMRUWPLQK-CMPLNLGQSA-N 1 0 281.352 1.924 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000840823169 618675866 /nfs/dbraw/zinc/67/58/66/618675866.db2.gz VLZFJXRXKIOMIG-SNVBAGLBSA-N 1 0 296.342 1.477 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000894443899 618888809 /nfs/dbraw/zinc/88/88/09/618888809.db2.gz HVFYAJQKWAMBQS-MGNBDDOMSA-N 1 0 271.382 1.566 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000894541530 618951257 /nfs/dbraw/zinc/95/12/57/618951257.db2.gz RRCHUNLQPGKVHJ-WCQYABFASA-N 1 0 265.353 1.960 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1 ZINC000895327353 619570341 /nfs/dbraw/zinc/57/03/41/619570341.db2.gz MOMUQTSTGNBQAQ-IRXDYDNUSA-N 1 0 292.423 1.850 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000895749639 619825918 /nfs/dbraw/zinc/82/59/18/619825918.db2.gz UOQYBWLUBPAVHP-QWHCGFSZSA-N 1 0 265.353 1.720 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C)c(O)c1OC ZINC000896593876 620160543 /nfs/dbraw/zinc/16/05/43/620160543.db2.gz PXSFAAYAPYOKRO-NSHDSACASA-N 1 0 266.341 1.203 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000841760230 621018089 /nfs/dbraw/zinc/01/80/89/621018089.db2.gz JHJFJMHFFQBNMV-LLVKDONJSA-N 1 0 294.374 1.395 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H]1O ZINC000897679401 621066239 /nfs/dbraw/zinc/06/62/39/621066239.db2.gz KALAEJQTFKQTFK-QPUJVOFHSA-N 1 0 286.169 1.967 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc(F)c(N(C)C)cc1F ZINC000897708740 621082081 /nfs/dbraw/zinc/08/20/81/621082081.db2.gz BTEDMYNFPCWWTD-UHFFFAOYSA-N 1 0 299.365 1.989 20 10 CDCDRO c1cc2c(cc1CNC[C@H]1C[NH2+]CCCO1)CCCO2 ZINC000904358094 626266080 /nfs/dbraw/zinc/26/60/80/626266080.db2.gz HUHYLEGOPGKXJS-OAHLLOKOSA-N 1 0 276.380 1.480 20 10 CDCDRO OC[C@H]1C[C@@H](O)CN1c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001170285893 1162332577 /nfs/dbraw/zinc/33/25/77/1162332577.db2.gz HJMDJTVQZYNFHI-RBSFLKMASA-N 1 0 262.353 1.043 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(C)ccc1O ZINC000312823870 1159642069 /nfs/dbraw/zinc/64/20/69/1159642069.db2.gz PJCAWSLPZWMZEA-UHFFFAOYSA-N 1 0 250.342 1.705 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000794833462 1164627666 /nfs/dbraw/zinc/62/76/66/1164627666.db2.gz DSCRKWDPZLRXQX-YWVKMMECSA-N 1 0 269.316 1.677 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609777914 1165077487 /nfs/dbraw/zinc/07/74/87/1165077487.db2.gz XPDKCPAGBLMWQK-VGMNWLOBSA-N 1 0 252.314 1.477 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000876779353 1165914670 /nfs/dbraw/zinc/91/46/70/1165914670.db2.gz BRLFDLSGFGPWLZ-UHFFFAOYSA-N 1 0 285.409 1.956 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000877645006 1166072581 /nfs/dbraw/zinc/07/25/81/1166072581.db2.gz XWTCEPIDJBJDIX-MRXNPFEDSA-N 1 0 277.412 1.169 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)cc1Cl ZINC000826044124 1166194720 /nfs/dbraw/zinc/19/47/20/1166194720.db2.gz ZGRGCCGRECBBSQ-NSHDSACASA-N 1 0 271.744 1.547 20 10 CDCDRO COc1cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1O ZINC001574041301 1170869619 /nfs/dbraw/zinc/86/96/19/1170869619.db2.gz FGRNDXZSDIKNCV-GFCCVEGCSA-N 1 0 266.341 1.390 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1ccccc1O ZINC001589968758 1173216625 /nfs/dbraw/zinc/21/66/25/1173216625.db2.gz VJFDQBXUDBOCMZ-SNVBAGLBSA-N 1 0 296.334 1.818 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000127460456 1175545521 /nfs/dbraw/zinc/54/55/21/1175545521.db2.gz AABIRAODTISZCG-SSDOTTSWSA-N 1 0 287.157 1.508 20 10 CDCDRO C[NH2+][C@@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1 ZINC000285691637 1184606456 /nfs/dbraw/zinc/60/64/56/1184606456.db2.gz OQERQFMXKCFQHP-CQSZACIVSA-N 1 0 288.351 1.045 20 10 CDCDRO CCCNC(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037262590 1165763033 /nfs/dbraw/zinc/76/30/33/1165763033.db2.gz KALVYDCNCGUCQN-UHFFFAOYSA-N 1 0 275.396 1.903 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1ccc(C)cc1O ZINC000876545259 1165869298 /nfs/dbraw/zinc/86/92/98/1165869298.db2.gz KUCDCUHPKXPRIG-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CNS(=O)(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876723712 1165900938 /nfs/dbraw/zinc/90/09/38/1165900938.db2.gz XUGCCCUMDIBAQQ-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CN1CCCC1=O ZINC000876950799 1165946716 /nfs/dbraw/zinc/94/67/16/1165946716.db2.gz WNPYIWJRYZXHQN-GFCCVEGCSA-N 1 0 262.353 1.801 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877345221 1166021438 /nfs/dbraw/zinc/02/14/38/1166021438.db2.gz YGIKGFZSVPCZMH-ZFWWWQNUSA-N 1 0 265.353 1.984 20 10 CDCDRO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649143 1166391748 /nfs/dbraw/zinc/39/17/48/1166391748.db2.gz MRCCIYCQHBQJTM-ZJUUUORDSA-N 1 0 279.340 1.277 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c(OC)c1 ZINC001206201630 912557067 /nfs/dbraw/zinc/55/70/67/912557067.db2.gz YSDBMLQPDDIYJJ-CHWSQXEVSA-N 1 0 298.358 1.671 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOCC2(C)C)c(O)c1 ZINC001249201042 912584558 /nfs/dbraw/zinc/58/45/58/912584558.db2.gz BTWHKBKGNHSGSH-UHFFFAOYSA-N 1 0 293.363 1.719 20 10 CDCDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cccc(Cl)c1O ZINC000890761447 894776398 /nfs/dbraw/zinc/77/63/98/894776398.db2.gz SNVQONFAZFYIKE-IINYFYTJSA-N 1 0 298.770 1.117 20 10 CDCDRO CCOc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000385204153 896701366 /nfs/dbraw/zinc/70/13/66/896701366.db2.gz GIKQBLMPMUCULY-YPMHNXCESA-N 1 0 262.353 1.585 20 10 CDCDRO C[NH2+][C@@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000053201732 899793070 /nfs/dbraw/zinc/79/30/70/899793070.db2.gz OHXSMGAYKSHIKP-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)NS(C)(=O)=O ZINC000067005873 901575109 /nfs/dbraw/zinc/57/51/09/901575109.db2.gz IXSXZJSSVXZIRC-UHFFFAOYSA-N 1 0 298.408 1.039 20 10 CDCDRO COC(=O)N1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000237255008 901996397 /nfs/dbraw/zinc/99/63/97/901996397.db2.gz WPEMNSITXWZNHN-UHFFFAOYSA-N 1 0 294.351 1.721 20 10 CDCDRO CC(C)N(CC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841958994 908836026 /nfs/dbraw/zinc/83/60/26/908836026.db2.gz JYEYNXKEJRZZOG-UHFFFAOYSA-N 1 0 292.427 1.793 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000323023549 909042785 /nfs/dbraw/zinc/04/27/85/909042785.db2.gz JYROOYWIVXOYGO-VHSXEESVSA-N 1 0 266.341 1.576 20 10 CDCDRO O=C1CC[C@@H]2C[C@@H]([NH2+]CCc3ccc(O)c(O)c3)CCN12 ZINC001172150290 911366949 /nfs/dbraw/zinc/36/69/49/911366949.db2.gz MNKWXUQERSAPCF-QWHCGFSZSA-N 1 0 290.363 1.383 20 10 CDCDRO Oc1ccc(CC[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc1O ZINC001172231773 911470384 /nfs/dbraw/zinc/47/03/84/911470384.db2.gz XWZZQSJPZBQADR-YHWZYXNKSA-N 1 0 261.321 1.716 20 10 CDCDRO Cc1cc(Br)cc(CN2C[C@@H]3C[NH2+]C[C@H]32)c1O ZINC001236291565 914893082 /nfs/dbraw/zinc/89/30/82/914893082.db2.gz LVDJOJKVNDJYJZ-CMPLNLGQSA-N 1 0 297.196 1.867 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000068980870 915713293 /nfs/dbraw/zinc/71/32/93/915713293.db2.gz OZBUFFGJXDGRJI-UHFFFAOYSA-N 1 0 292.788 1.075 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC2CC[NH2+]CC2)c1 ZINC000828666818 936382995 /nfs/dbraw/zinc/38/29/95/936382995.db2.gz JBNQPUDWITZZLM-LLVKDONJSA-N 1 0 292.379 1.968 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000069912314 916959311 /nfs/dbraw/zinc/95/93/11/916959311.db2.gz RYBWXIZBOHMUQK-AWEZNQCLSA-N 1 0 252.358 1.240 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C2(C)C[NH2+]C2)cc1F ZINC000829038601 936399982 /nfs/dbraw/zinc/39/99/82/936399982.db2.gz LCHHPXQCNMKWBV-UHFFFAOYSA-N 1 0 293.386 1.898 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NCc2nccc(N)n2)c1 ZINC000182424121 917310715 /nfs/dbraw/zinc/31/07/15/917310715.db2.gz ODGVRJQFEXHLBC-SECBINFHSA-N 1 0 274.324 1.624 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000829764648 936430867 /nfs/dbraw/zinc/43/08/67/936430867.db2.gz RNTVVCHOALQBHN-NEPJUHHUSA-N 1 0 263.385 1.661 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597281 936464507 /nfs/dbraw/zinc/46/45/07/936464507.db2.gz DKKLZPUWLRJGSH-JTQLQIEISA-N 1 0 262.353 1.482 20 10 CDCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185815185 918073152 /nfs/dbraw/zinc/07/31/52/918073152.db2.gz WLTRUXLSIDAHOF-KZSQQDEKSA-N 1 0 290.407 1.940 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000827141806 936493544 /nfs/dbraw/zinc/49/35/44/936493544.db2.gz YCSDTELEKDGMIF-AAEUAGOBSA-N 1 0 290.363 1.501 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000827140296 936493600 /nfs/dbraw/zinc/49/36/00/936493600.db2.gz JGWDKKPYNDZUMW-MRXNPFEDSA-N 1 0 278.396 1.908 20 10 CDCDRO OCC1C[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337809 936522238 /nfs/dbraw/zinc/52/22/38/936522238.db2.gz ZVOMNWQOYGPHNS-UHFFFAOYSA-N 1 0 288.391 1.515 20 10 CDCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499011 936542737 /nfs/dbraw/zinc/54/27/37/936542737.db2.gz SJRPJEPHLYPEJI-WMLDXEAASA-N 1 0 290.407 1.868 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+](C)C)CC1 ZINC000831925230 936547223 /nfs/dbraw/zinc/54/72/23/936547223.db2.gz UBMDGHMSMMRARQ-SNVBAGLBSA-N 1 0 278.352 1.239 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001203586117 919065073 /nfs/dbraw/zinc/06/50/73/919065073.db2.gz YOIRGMUNUHLQDX-MNOVXSKESA-N 1 0 255.289 1.306 20 10 CDCDRO COC[C@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267049 936570213 /nfs/dbraw/zinc/57/02/13/936570213.db2.gz LZCKKZHHSICTRF-IUODEOHRSA-N 1 0 293.411 1.541 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000832267352 936570729 /nfs/dbraw/zinc/57/07/29/936570729.db2.gz QTOJSZJXISYNCB-XUWVNRHRSA-N 1 0 287.407 1.915 20 10 CDCDRO CC[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293636 936572558 /nfs/dbraw/zinc/57/25/58/936572558.db2.gz ZKHFWJKIDFPFBB-SMDDNHRTSA-N 1 0 263.385 1.915 20 10 CDCDRO Cc1cnc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000832292732 936572580 /nfs/dbraw/zinc/57/25/80/936572580.db2.gz KXLKWNXKDCMLHG-CQSZACIVSA-N 1 0 299.378 1.281 20 10 CDCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)[NH2+]1 ZINC000843049125 919351472 /nfs/dbraw/zinc/35/14/72/919351472.db2.gz FXWGMYMTJWSIJZ-AOOOYVTPSA-N 1 0 264.325 1.303 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001203558313 919484536 /nfs/dbraw/zinc/48/45/36/919484536.db2.gz DAKREFOOMCSLHU-UHFFFAOYSA-N 1 0 258.325 1.821 20 10 CDCDRO Oc1ccccc1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000843120905 919688021 /nfs/dbraw/zinc/68/80/21/919688021.db2.gz XQQVXWMIZXPJQP-OAHLLOKOSA-N 1 0 269.348 1.934 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000827812421 936608085 /nfs/dbraw/zinc/60/80/85/936608085.db2.gz NBBUZQNSELQCGD-JLIMDTESSA-N 1 0 253.273 1.573 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1F ZINC000827900699 936613176 /nfs/dbraw/zinc/61/31/76/936613176.db2.gz GVKIYEVLORCRNA-CQSZACIVSA-N 1 0 279.359 1.635 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](C)O ZINC000386694454 936633786 /nfs/dbraw/zinc/63/37/86/936633786.db2.gz LDUDWAKFFOJHOK-CJNGLKHVSA-N 1 0 278.396 1.772 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)CC1=O ZINC000391564275 936659059 /nfs/dbraw/zinc/65/90/59/936659059.db2.gz YOQPSQYZSQQAFX-NSHDSACASA-N 1 0 264.325 1.111 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC2(CO)CC2)c1 ZINC000395973020 936698720 /nfs/dbraw/zinc/69/87/20/936698720.db2.gz RYVUWBYXXBDUSE-UHFFFAOYSA-N 1 0 251.326 1.653 20 10 CDCDRO C[C@H]1COCCN1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834566319 936693567 /nfs/dbraw/zinc/69/35/67/936693567.db2.gz JTMJIDFZIQWFNI-GXTWGEPZSA-N 1 0 276.380 1.690 20 10 CDCDRO OC1CCN(c2ccc(CN3C[C@@H]4C[C@H]3CO4)cc2)CC1 ZINC001140285530 936698171 /nfs/dbraw/zinc/69/81/71/936698171.db2.gz NPFCFXPLCFYMOY-RDJZCZTQSA-N 1 0 288.391 1.621 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CNC(=O)C2)cc1 ZINC000398371710 936710752 /nfs/dbraw/zinc/71/07/52/936710752.db2.gz CVEXLEMGPSLSIG-AWEZNQCLSA-N 1 0 275.396 1.759 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1 ZINC000398335613 936710768 /nfs/dbraw/zinc/71/07/68/936710768.db2.gz KITJNPDOUJVTHR-UWVGGRQHSA-N 1 0 264.325 1.188 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1ccc(Cl)cc1O ZINC001140466944 936712586 /nfs/dbraw/zinc/71/25/86/936712586.db2.gz NDQLTYJEZKCVTG-UHFFFAOYSA-N 1 0 256.733 1.743 20 10 CDCDRO O=C1[C@@H]([NH2+]Cc2cc(F)ccc2O)C[C@@H]2CCCCN12 ZINC000835075016 936716595 /nfs/dbraw/zinc/71/65/95/936716595.db2.gz UJGYWFALLPANIB-STQMWFEESA-N 1 0 278.327 1.774 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1 ZINC001140619507 936731804 /nfs/dbraw/zinc/73/18/04/936731804.db2.gz FWRQNHXSPVOCKW-HNNXBMFYSA-N 1 0 260.337 1.413 20 10 CDCDRO CCOC[C@@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000700831738 922281969 /nfs/dbraw/zinc/28/19/69/922281969.db2.gz MKPXXZSAVBWQMG-AWEZNQCLSA-N 1 0 264.369 1.295 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC001140746091 936748849 /nfs/dbraw/zinc/74/88/49/936748849.db2.gz UTXWWVSKFLSTCG-CQSZACIVSA-N 1 0 251.326 1.753 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744456 936749126 /nfs/dbraw/zinc/74/91/26/936749126.db2.gz YAJJPCULGSFMDE-LLVKDONJSA-N 1 0 265.309 1.401 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c(O)c1 ZINC000702637005 922581160 /nfs/dbraw/zinc/58/11/60/922581160.db2.gz RJKPIHJOWGKFDJ-WFASDCNBSA-N 1 0 264.369 1.418 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031254 936795068 /nfs/dbraw/zinc/79/50/68/936795068.db2.gz AGWVFTMBSNUGDY-GWCFXTLKSA-N 1 0 281.352 1.612 20 10 CDCDRO CO[C@H](C)C1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145356 936819978 /nfs/dbraw/zinc/81/99/78/936819978.db2.gz UZQYFHYEPYWOPF-GFCCVEGCSA-N 1 0 276.380 1.982 20 10 CDCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159678 936822311 /nfs/dbraw/zinc/82/23/11/936822311.db2.gz JHPDOFRFCUJZOL-JQWIXIFHSA-N 1 0 279.336 1.729 20 10 CDCDRO CN1CCOc2cc(C[NH+]3CC4(C3)CCOC4)ccc21 ZINC001141140382 936818412 /nfs/dbraw/zinc/81/84/12/936818412.db2.gz LKVGDBASZHHBQE-UHFFFAOYSA-N 1 0 274.364 1.738 20 10 CDCDRO [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001205690904 924518531 /nfs/dbraw/zinc/51/85/31/924518531.db2.gz YUAIBHKAUWEWLL-CQSZACIVSA-N 1 0 284.787 1.721 20 10 CDCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)[N@H+]1C ZINC000840090222 936937210 /nfs/dbraw/zinc/93/72/10/936937210.db2.gz NIKDBIBRMAUZCL-RWSFTLGLSA-N 1 0 292.379 1.342 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000840092919 936937360 /nfs/dbraw/zinc/93/73/60/936937360.db2.gz YZPVLGIVBPNFOX-IUODEOHRSA-N 1 0 292.379 1.344 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c(O)c1 ZINC000840962709 936969898 /nfs/dbraw/zinc/96/98/98/936969898.db2.gz MYNILTUHVCGEPW-DZGCQCFKSA-N 1 0 295.379 1.668 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1F ZINC000840963675 936970196 /nfs/dbraw/zinc/97/01/96/936970196.db2.gz SGNYJZNDOHNCSX-UKRRQHHQSA-N 1 0 296.386 1.769 20 10 CDCDRO COc1cccc(CNC[C@@H]2CCCC[NH2+]2)c1O ZINC000841033408 936972245 /nfs/dbraw/zinc/97/22/45/936972245.db2.gz UCRAAWHHLDTOKA-LBPRGKRZSA-N 1 0 250.342 1.633 20 10 CDCDRO CN(C)c1ccc(CNC[C@H]([NH3+])C2CC2)cc1F ZINC000841049299 936973850 /nfs/dbraw/zinc/97/38/50/936973850.db2.gz JMPQMLYIJAAJOI-ZDUSSCGKSA-N 1 0 251.349 1.719 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000775835473 925384574 /nfs/dbraw/zinc/38/45/74/925384574.db2.gz ZOHZKQVCGFODLS-GFCCVEGCSA-N 1 0 277.368 1.855 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000841656062 937010033 /nfs/dbraw/zinc/01/00/33/937010033.db2.gz VFJPYSKWQXGZPG-UONOGXRCSA-N 1 0 290.411 1.822 20 10 CDCDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882180 937020622 /nfs/dbraw/zinc/02/06/22/937020622.db2.gz XHAMWRDABOZKAO-TZMCWYRMSA-N 1 0 290.411 1.946 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000841828106 937016269 /nfs/dbraw/zinc/01/62/69/937016269.db2.gz QZQFEZHJVTUQCQ-CQSZACIVSA-N 1 0 290.411 1.612 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)N(C)Cc1ccccc1O ZINC000841986667 937026468 /nfs/dbraw/zinc/02/64/68/937026468.db2.gz UVGZSYSGPDQMSL-LLVKDONJSA-N 1 0 265.357 1.532 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(OC)cc1O ZINC000841986604 937026606 /nfs/dbraw/zinc/02/66/06/937026606.db2.gz UMAVDSCPJYPPSN-SNVBAGLBSA-N 1 0 281.356 1.198 20 10 CDCDRO C[C@@H](CNC(=O)NCCc1ccc(N)cc1)[NH+](C)C ZINC000841912601 937022381 /nfs/dbraw/zinc/02/23/81/937022381.db2.gz MWLRUIZGMSLALU-NSHDSACASA-N 1 0 264.373 1.061 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1O ZINC000775984583 925755481 /nfs/dbraw/zinc/75/54/81/925755481.db2.gz GZFWCEUIBZBRGC-NEPJUHHUSA-N 1 0 264.369 1.925 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000775984363 925755726 /nfs/dbraw/zinc/75/57/26/925755726.db2.gz FUSZPIQYURAGBF-GHMZBOCLSA-N 1 0 278.352 1.645 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CC(N)=O)c1 ZINC000776250321 926483879 /nfs/dbraw/zinc/48/38/79/926483879.db2.gz GKZTVHDQRZLTQM-VIFPVBQESA-N 1 0 252.314 1.144 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[C@H]([NH2+]C)C2)c1 ZINC000843044774 937105698 /nfs/dbraw/zinc/10/56/98/937105698.db2.gz IWSZMEOHBHQZDU-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO Cc1cccc(CN2CC[NH2+]C[C@H]2c2nccn2C)c1O ZINC000843122423 937114380 /nfs/dbraw/zinc/11/43/80/937114380.db2.gz SHXWCNHGBIGDGD-AWEZNQCLSA-N 1 0 286.379 1.581 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000843508254 937157266 /nfs/dbraw/zinc/15/72/66/937157266.db2.gz UDKXNRODMFFHPH-AWEZNQCLSA-N 1 0 273.380 1.602 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1(CO)CC1 ZINC000850360057 927420122 /nfs/dbraw/zinc/42/01/22/927420122.db2.gz AEAMISXGFIVISC-CQSZACIVSA-N 1 0 290.407 1.774 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851655059 927598905 /nfs/dbraw/zinc/59/89/05/927598905.db2.gz OBLZDRHKJVTKOV-CYBMUJFWSA-N 1 0 290.411 1.694 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000851682012 927602853 /nfs/dbraw/zinc/60/28/53/927602853.db2.gz SOCFXNKPSMWVFP-LBPRGKRZSA-N 1 0 278.400 1.502 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000852632023 927830227 /nfs/dbraw/zinc/83/02/27/927830227.db2.gz OHKXXMNZNFENTA-CYBMUJFWSA-N 1 0 277.368 1.676 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2COCCO2)cc1OC ZINC000853557562 928044153 /nfs/dbraw/zinc/04/41/53/928044153.db2.gz MCFXJVIRMYRWDQ-LBPRGKRZSA-N 1 0 297.351 1.257 20 10 CDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CO ZINC000782135908 937240882 /nfs/dbraw/zinc/24/08/82/937240882.db2.gz MBNXVHRUVDEOEK-HNNXBMFYSA-N 1 0 266.385 1.316 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1 ZINC000857061173 928657118 /nfs/dbraw/zinc/65/71/18/928657118.db2.gz LEVNLAQBPFFZBE-DGCLKSJQSA-N 1 0 265.353 1.851 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](O)C2)cc1F ZINC000858173816 928816536 /nfs/dbraw/zinc/81/65/36/928816536.db2.gz KCPLHYMDRRUDEK-AOOOYVTPSA-N 1 0 256.296 1.644 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858196554 928818315 /nfs/dbraw/zinc/81/83/15/928818315.db2.gz SINFZFCCNVHUTB-GFCCVEGCSA-N 1 0 297.349 1.741 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1F ZINC000858296378 928831064 /nfs/dbraw/zinc/83/10/64/928831064.db2.gz NYPPNCOGYBAFBI-TXEJJXNPSA-N 1 0 252.333 1.752 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)OC)c1 ZINC000858586581 928892780 /nfs/dbraw/zinc/89/27/80/928892780.db2.gz FQATZQWKAYKVSX-VHSXEESVSA-N 1 0 282.340 1.460 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1 ZINC000697611484 937284469 /nfs/dbraw/zinc/28/44/69/937284469.db2.gz CASPCDSQVZZBAX-NXEZZACHSA-N 1 0 287.381 1.485 20 10 CDCDRO Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)c(O)c1O ZINC000783860535 937285294 /nfs/dbraw/zinc/28/52/94/937285294.db2.gz NIXOETIPAHRUSB-UHFFFAOYSA-N 1 0 292.379 1.963 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@@H]1C ZINC000787422024 929367684 /nfs/dbraw/zinc/36/76/84/929367684.db2.gz XSOPCUOZIJXTHP-BXKDBHETSA-N 1 0 267.300 1.915 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCN2CC[C@@H](O)C2)cc1Cl ZINC000862532155 929421926 /nfs/dbraw/zinc/42/19/26/929421926.db2.gz RFDQQLUJPBLSKS-GFCCVEGCSA-N 1 0 284.787 1.510 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000775156307 929667445 /nfs/dbraw/zinc/66/74/45/929667445.db2.gz PWKVCNGVXLEZIO-UHFFFAOYSA-N 1 0 280.343 1.486 20 10 CDCDRO Cc1cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)ccc1N(C)C ZINC000815081124 929935314 /nfs/dbraw/zinc/93/53/14/929935314.db2.gz SIFDORPTTUJPOL-OAHLLOKOSA-N 1 0 287.407 1.868 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1 ZINC000815108531 929948479 /nfs/dbraw/zinc/94/84/79/929948479.db2.gz YXZQBGLJRWGSMQ-SWLSCSKDSA-N 1 0 275.396 1.757 20 10 CDCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1CC1CC1 ZINC000883404267 930195244 /nfs/dbraw/zinc/19/52/44/930195244.db2.gz VHTZUWWKGXWPNB-HNNXBMFYSA-N 1 0 286.375 1.722 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000132585375 930252002 /nfs/dbraw/zinc/25/20/02/930252002.db2.gz SPJOQADTPRTVCZ-WFASDCNBSA-N 1 0 263.385 1.301 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCO3)CC1)[C@@H](O)CO2 ZINC000799957442 937402340 /nfs/dbraw/zinc/40/23/40/937402340.db2.gz OSVNHZRCKFZHBU-AWEZNQCLSA-N 1 0 291.347 1.573 20 10 CDCDRO OCC1(C[NH2+]Cc2ccc3ccccc3c2O)COC1 ZINC000816557901 930317206 /nfs/dbraw/zinc/31/72/06/930317206.db2.gz GEHRBTCRYKXLPC-UHFFFAOYSA-N 1 0 273.332 1.644 20 10 CDCDRO C[C@@H]1CO[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000884011222 930385623 /nfs/dbraw/zinc/38/56/23/930385623.db2.gz XJWIDWLAPMKYCS-TUKIKUTGSA-N 1 0 291.395 1.294 20 10 CDCDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCCSc1nccs1 ZINC000884138008 930456905 /nfs/dbraw/zinc/45/69/05/930456905.db2.gz BISGYMXXZGHYEQ-JTQLQIEISA-N 1 0 299.465 1.987 20 10 CDCDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC000817860498 930613629 /nfs/dbraw/zinc/61/36/29/930613629.db2.gz OERYIJOIDWVPEF-BZPMIXESSA-N 1 0 275.396 1.643 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CCO1 ZINC000817944305 930642395 /nfs/dbraw/zinc/64/23/95/930642395.db2.gz ZAZRVSYAPNGRNO-XNRPHZJLSA-N 1 0 277.412 1.910 20 10 CDCDRO COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000817949689 930644550 /nfs/dbraw/zinc/64/45/50/930644550.db2.gz MIWYUKGWTWESNZ-YPMHNXCESA-N 1 0 292.379 1.972 20 10 CDCDRO COc1ccc(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c(O)c1 ZINC000818000054 930653394 /nfs/dbraw/zinc/65/33/94/930653394.db2.gz DURAFLFDANLFGS-IINYFYTJSA-N 1 0 280.368 1.636 20 10 CDCDRO CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981147 930654432 /nfs/dbraw/zinc/65/44/32/930654432.db2.gz ZMBZMQCLSDIOMD-IUCAKERBSA-N 1 0 253.302 1.688 20 10 CDCDRO C[C@@H](NC[C@H](C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817972595 930655042 /nfs/dbraw/zinc/65/50/42/930655042.db2.gz YFJFCZNAZIUBEI-NWDGAFQWSA-N 1 0 281.375 1.660 20 10 CDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941674 930738305 /nfs/dbraw/zinc/73/83/05/930738305.db2.gz NMPNCIBSNUNSLC-XJKSGUPXSA-N 1 0 296.411 1.255 20 10 CDCDRO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccccc1O ZINC000886229555 930832031 /nfs/dbraw/zinc/83/20/31/930832031.db2.gz ROCAYSMPNDEALI-QWHCGFSZSA-N 1 0 251.326 1.412 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000219147567 930865488 /nfs/dbraw/zinc/86/54/88/930865488.db2.gz SDXNJVAFLFJLOK-LLVKDONJSA-N 1 0 259.733 1.533 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000824564919 931462408 /nfs/dbraw/zinc/46/24/08/931462408.db2.gz NWXJBSUMKRVDDY-AWEZNQCLSA-N 1 0 294.395 1.337 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1OC ZINC000824893534 931486380 /nfs/dbraw/zinc/48/63/80/931486380.db2.gz UWHIJENOXJPSAX-WCQYABFASA-N 1 0 292.379 1.545 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1Cl ZINC000824943753 931487223 /nfs/dbraw/zinc/48/72/23/931487223.db2.gz SESBRUVAZRNJPV-JTQLQIEISA-N 1 0 283.759 1.597 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000825196753 931496557 /nfs/dbraw/zinc/49/65/57/931496557.db2.gz OHJDZKVETGQGEJ-QMTHXVAHSA-N 1 0 281.308 1.014 20 10 CDCDRO NC(=O)C1([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825500731 931507076 /nfs/dbraw/zinc/50/70/76/931507076.db2.gz HIWCNVSXZBGWIW-UHFFFAOYSA-N 1 0 285.141 1.262 20 10 CDCDRO CCOc1cccc(CN2CC3(C2)CC[N@H+](C)C3)c1O ZINC001275271866 931718907 /nfs/dbraw/zinc/71/89/07/931718907.db2.gz ZTUUQOBJIZKWHU-UHFFFAOYSA-N 1 0 276.380 1.928 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC001144499510 931858664 /nfs/dbraw/zinc/85/86/64/931858664.db2.gz HJJYSGWWHWKTKF-SECBINFHSA-N 1 0 253.298 1.150 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCCCO3)c(O)c1 ZINC001144504321 931864952 /nfs/dbraw/zinc/86/49/52/931864952.db2.gz PHIPGKMGNAVEJS-UHFFFAOYSA-N 1 0 265.309 1.558 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000846053007 931966410 /nfs/dbraw/zinc/96/64/10/931966410.db2.gz LYOQMUXTGJTMQK-HZPDHXFCSA-N 1 0 278.396 1.643 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1O ZINC000846152583 931982523 /nfs/dbraw/zinc/98/25/23/931982523.db2.gz ANTPQIWVJRDVRA-RISCZKNCSA-N 1 0 295.379 1.839 20 10 CDCDRO CCN1C[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)CC1=O ZINC000846169767 931983570 /nfs/dbraw/zinc/98/35/70/931983570.db2.gz TWMYBRYFDHFCPL-GHMZBOCLSA-N 1 0 278.352 1.672 20 10 CDCDRO COc1ccc(CNC(=O)C2([NH+](C)C)CCC2)c(O)c1 ZINC000794378843 932119000 /nfs/dbraw/zinc/11/90/00/932119000.db2.gz WVVMKWFALHIDSL-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1ccc(CNC(=O)CCCC[NH+](C)C)c(O)c1 ZINC000794388144 932120419 /nfs/dbraw/zinc/12/04/19/932120419.db2.gz QQODWSQGDWFWIL-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO C[C@@H]([NH2+]CC[C@H]1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000846860915 932142302 /nfs/dbraw/zinc/14/23/02/932142302.db2.gz NIWJVNSJLJLBSA-OCCSQVGLSA-N 1 0 275.396 1.929 20 10 CDCDRO COc1ccc(CNC(=O)C2([NH+](C)C)CC2)c(O)c1 ZINC000846950960 932171280 /nfs/dbraw/zinc/17/12/80/932171280.db2.gz SCTLHHCSCLNCCF-UHFFFAOYSA-N 1 0 264.325 1.111 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCO[C@@H]1CCOC1)CC2 ZINC000927082684 933043713 /nfs/dbraw/zinc/04/37/13/933043713.db2.gz HIVRVQIRHPKLMH-CHWSQXEVSA-N 1 0 263.337 1.775 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCC[NH3+] ZINC000155820810 934237252 /nfs/dbraw/zinc/23/72/52/934237252.db2.gz IQJAAKCJCNDZJM-UHFFFAOYSA-N 1 0 291.395 1.997 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000779050919 934382642 /nfs/dbraw/zinc/38/26/42/934382642.db2.gz YWIDSOKIJOCSAI-GFCCVEGCSA-N 1 0 251.257 1.948 20 10 CDCDRO CN1C(=O)CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000090026431 934814343 /nfs/dbraw/zinc/81/43/43/934814343.db2.gz FMMKJKXNJMOKBS-JTQLQIEISA-N 1 0 282.727 1.283 20 10 CDCDRO C[N@H+](CCN1CCOCC1)Cc1cc(Cl)ccc1O ZINC000092974780 934902766 /nfs/dbraw/zinc/90/27/66/934902766.db2.gz QJLJEHMRPQPLHC-UHFFFAOYSA-N 1 0 284.787 1.810 20 10 CDCDRO CCOc1ccc(C[NH2+]CCC2(O)CCOCC2)c(O)c1 ZINC000796465798 935279903 /nfs/dbraw/zinc/27/99/03/935279903.db2.gz LDTBDWHPYISMFC-UHFFFAOYSA-N 1 0 295.379 1.812 20 10 CDCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]C(C)C)C2)cc(OC)n1 ZINC001020352628 935735204 /nfs/dbraw/zinc/73/52/04/935735204.db2.gz YWNMBTAAYNGKPE-HAQNSBGRSA-N 1 0 293.367 1.358 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000802660454 936056136 /nfs/dbraw/zinc/05/61/36/936056136.db2.gz LVVOLBKGQKGSHA-AWEZNQCLSA-N 1 0 269.316 1.697 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3cc(N)ncn3)cc2)CC1 ZINC001156658187 938402171 /nfs/dbraw/zinc/40/21/71/938402171.db2.gz URXCAVWPLIZDFI-UHFFFAOYSA-N 1 0 298.394 1.423 20 10 CDCDRO Oc1ccc(CNc2ccc3c(n2)CC[NH2+]C3)cc1O ZINC001158994678 938685734 /nfs/dbraw/zinc/68/57/34/938685734.db2.gz SIAHWVPMXKTCOG-UHFFFAOYSA-N 1 0 271.320 1.751 20 10 CDCDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)Cc1ccc(N)cc1 ZINC001160542342 938797660 /nfs/dbraw/zinc/79/76/60/938797660.db2.gz STUIMOOVTMVHCH-CYBMUJFWSA-N 1 0 297.362 1.252 20 10 CDCDRO O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CCc2cccc(O)c2C1 ZINC001160871906 938835194 /nfs/dbraw/zinc/83/51/94/938835194.db2.gz BECFRKIYMDAZOJ-AAEUAGOBSA-N 1 0 278.327 1.367 20 10 CDCDRO COCCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC001203556552 939693544 /nfs/dbraw/zinc/69/35/44/939693544.db2.gz SQZBEEXAFVTVSV-UHFFFAOYSA-N 1 0 264.369 1.546 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCCO1 ZINC001203599232 939695494 /nfs/dbraw/zinc/69/54/94/939695494.db2.gz DWYIMEHOIXRRLH-CYBMUJFWSA-N 1 0 295.335 1.165 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1O ZINC001203596436 939695633 /nfs/dbraw/zinc/69/56/33/939695633.db2.gz BYAMHCIYQVWPQU-MPKXVKKWSA-N 1 0 263.337 1.868 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(NC(N)=O)CC2)c1 ZINC001203665792 939700424 /nfs/dbraw/zinc/70/04/24/939700424.db2.gz URWJOGAEBOUCSA-UHFFFAOYSA-N 1 0 279.340 1.034 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1 ZINC001203670383 939700506 /nfs/dbraw/zinc/70/05/06/939700506.db2.gz QEDMXTHHYLATLP-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(OC)ccc1O ZINC001203684274 939700959 /nfs/dbraw/zinc/70/09/59/939700959.db2.gz QJGMUZDWBBVDTE-STQMWFEESA-N 1 0 262.353 1.679 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882515 939711612 /nfs/dbraw/zinc/71/16/12/939711612.db2.gz KDKNHRQVIORHDN-CMPLNLGQSA-N 1 0 279.336 1.729 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1ccc(O)c(O)c1 ZINC001203883728 939711886 /nfs/dbraw/zinc/71/18/86/939711886.db2.gz MNAJWDDSGMKBRZ-UHIISALHSA-N 1 0 277.320 1.624 20 10 CDCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)cc1O ZINC001204272446 939750178 /nfs/dbraw/zinc/75/01/78/939750178.db2.gz ANEKDJBDUXTSIV-INIZCTEOSA-N 1 0 290.363 1.685 20 10 CDCDRO C[N@H+](C1CN(Cc2ccc(O)cc2O)C1)[C@H]1CCOC1 ZINC001204279061 939751975 /nfs/dbraw/zinc/75/19/75/939751975.db2.gz OXUPIAKIVLSXCL-LBPRGKRZSA-N 1 0 278.352 1.003 20 10 CDCDRO c1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204320930 939755477 /nfs/dbraw/zinc/75/54/77/939755477.db2.gz ABUORFSOMLGYAF-UHFFFAOYSA-N 1 0 297.406 1.937 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H]2CO)cc(O)c1O ZINC001204342723 939757648 /nfs/dbraw/zinc/75/76/48/939757648.db2.gz MDTCYLICSIVXBH-JTQLQIEISA-N 1 0 253.298 1.063 20 10 CDCDRO CCC1(O)CC[NH+](Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204345095 939758279 /nfs/dbraw/zinc/75/82/79/939758279.db2.gz HCXSHIAYJHMMDY-UHFFFAOYSA-N 1 0 281.352 1.843 20 10 CDCDRO Cc1c(O)ccc(CN2C[C@H]([NH3+])CC(F)(F)C2)c1O ZINC001206131642 939984631 /nfs/dbraw/zinc/98/46/31/939984631.db2.gz HHDMQIGNYRTQCL-SNVBAGLBSA-N 1 0 272.295 1.575 20 10 CDCDRO Cn1c(=O)cc(-c2cnn(CC[NH+](C)C)c2)c2ccccc21 ZINC001206372631 940028232 /nfs/dbraw/zinc/02/82/32/940028232.db2.gz AGBYLEQNQXWGDR-UHFFFAOYSA-N 1 0 296.374 1.964 20 10 CDCDRO C[C@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC000088058871 940238238 /nfs/dbraw/zinc/23/82/38/940238238.db2.gz MUKOKOAWHCLAGA-ZDUSSCGKSA-N 1 0 259.397 1.863 20 10 CDCDRO [NH3+]Cc1ccccc1C(=O)NCc1ccccc1O ZINC001219923377 941396859 /nfs/dbraw/zinc/39/68/59/941396859.db2.gz KEFWJEATLKQGAX-UHFFFAOYSA-N 1 0 256.305 1.781 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@@]2(C)CCC[NH2+]2)c(O)c1 ZINC001220825324 941475432 /nfs/dbraw/zinc/47/54/32/941475432.db2.gz CGSIUPKQCVRMSL-OAHLLOKOSA-N 1 0 262.353 1.767 20 10 CDCDRO Nc1ccc(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1 ZINC001222684461 941626173 /nfs/dbraw/zinc/62/61/73/941626173.db2.gz HEUYXOCIFZMDNE-INIZCTEOSA-N 1 0 274.412 1.186 20 10 CDCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(F)c(F)c1[O-] ZINC001276856856 941650558 /nfs/dbraw/zinc/65/05/58/941650558.db2.gz LLZAHXQJBOJDAW-AOOOYVTPSA-N 1 0 254.280 1.559 20 10 CDCDRO COc1ccc(N2CC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001276927823 941704076 /nfs/dbraw/zinc/70/40/76/941704076.db2.gz VFAZQBGJIYOYHY-UHFFFAOYSA-N 1 0 275.396 1.379 20 10 CDCDRO Cc1cc(C[NH2+]C23CC(C(N)=O)(C2)C3)ccc1N(C)C ZINC001276928901 941704802 /nfs/dbraw/zinc/70/48/02/941704802.db2.gz DXZBGZIDHVDBTN-UHFFFAOYSA-N 1 0 273.380 1.559 20 10 CDCDRO O=C(N1CC=CC1)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001277445469 942584120 /nfs/dbraw/zinc/58/41/20/942584120.db2.gz GTXCFJOCVHWCLC-WMLDXEAASA-N 1 0 284.359 1.755 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c1O ZINC001231593038 942939225 /nfs/dbraw/zinc/93/92/25/942939225.db2.gz XHNMBOAFIMBPQU-OAHLLOKOSA-N 1 0 260.337 1.413 20 10 CDCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231634581 942949842 /nfs/dbraw/zinc/94/98/42/942949842.db2.gz OPQKCHVUHNKJGN-LLVKDONJSA-N 1 0 267.325 1.717 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(O)cc1O ZINC001231637378 942954833 /nfs/dbraw/zinc/95/48/33/942954833.db2.gz LLHHPLBMADKJOW-OAHLLOKOSA-N 1 0 279.336 1.861 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231639142 942956247 /nfs/dbraw/zinc/95/62/47/942956247.db2.gz MDXGQUAMWVZRSM-UHFFFAOYSA-N 1 0 269.297 1.101 20 10 CDCDRO O=c1[nH]cc(C[N@@H+]2CCc3cccc(O)c3C2)c(=O)[nH]1 ZINC001231709345 942986760 /nfs/dbraw/zinc/98/67/60/942986760.db2.gz SEIGOKSRDWASAF-UHFFFAOYSA-N 1 0 273.292 1.152 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001231843520 943025451 /nfs/dbraw/zinc/02/54/51/943025451.db2.gz ZWEJJBLEYBUFBB-HZPDHXFCSA-N 1 0 279.380 1.574 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC(C)([NH+](C)C)C1 ZINC001231854062 943027825 /nfs/dbraw/zinc/02/78/25/943027825.db2.gz XXQHEHQHDMWNCC-UHFFFAOYSA-N 1 0 277.412 1.897 20 10 CDCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC(CO)CC1 ZINC001231851283 943028754 /nfs/dbraw/zinc/02/87/54/943028754.db2.gz CLCCMQRHWXJDIQ-UHFFFAOYSA-N 1 0 278.396 1.966 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCC(NC(N)=O)CC2)cc1Cl ZINC001231869815 943036361 /nfs/dbraw/zinc/03/63/61/943036361.db2.gz ZQIVPWKJDNZNFX-UHFFFAOYSA-N 1 0 297.786 1.987 20 10 CDCDRO CN(Cc1ccncc1)Cc1cc(O)c(O)c(O)c1 ZINC001233010033 943459892 /nfs/dbraw/zinc/45/98/92/943459892.db2.gz IEELNUSQVSZKGO-UHFFFAOYSA-N 1 0 260.293 1.830 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[N@@H+]3CC[C@@H]3C2)c1O ZINC001233291382 943531817 /nfs/dbraw/zinc/53/18/17/943531817.db2.gz YOJLUNXJIXHKRT-GFCCVEGCSA-N 1 0 282.771 1.944 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482690 943590863 /nfs/dbraw/zinc/59/08/63/943590863.db2.gz YMLSWGPOOKCVJA-SECBINFHSA-N 1 0 281.308 1.188 20 10 CDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482942 943591083 /nfs/dbraw/zinc/59/10/83/943591083.db2.gz IFWGWTAKFCJIHV-WPRPVWTQSA-N 1 0 253.298 1.149 20 10 CDCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]2C1 ZINC001233487348 943595312 /nfs/dbraw/zinc/59/53/12/943595312.db2.gz ZSSIMMQQTMTSSX-CHWSQXEVSA-N 1 0 292.379 1.577 20 10 CDCDRO Cc1cc(O)c(CN2CCNC[C@]23CC[NH2+]C3)cc1Cl ZINC001234986402 943995981 /nfs/dbraw/zinc/99/59/81/943995981.db2.gz CREBZFFPMJRFFS-OAHLLOKOSA-N 1 0 295.814 1.491 20 10 CDCDRO CN1CCOc2cc(CN3CC[C@@H]4[NH2+]CC[C@H]43)ccc21 ZINC001235043171 944018737 /nfs/dbraw/zinc/01/87/37/944018737.db2.gz BXULZHKCCWFDEV-UONOGXRCSA-N 1 0 273.380 1.451 20 10 CDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000389186445 944169156 /nfs/dbraw/zinc/16/91/56/944169156.db2.gz SHCIIPSMUSXGAN-MRXNPFEDSA-N 1 0 289.423 1.707 20 10 CDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(Cl)cc1O)C2 ZINC001235998696 944367400 /nfs/dbraw/zinc/36/74/00/944367400.db2.gz YZAIIOKUHAJEML-GXFFZTMASA-N 1 0 252.745 1.969 20 10 CDCDRO C[N@H+](CCO)Cc1cccc(OC(F)(F)F)c1O ZINC001236255824 944439334 /nfs/dbraw/zinc/43/93/34/944439334.db2.gz IHZAOIHRHYXPCB-UHFFFAOYSA-N 1 0 265.231 1.715 20 10 CDCDRO Oc1cc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)cc1Br ZINC001236288955 944447799 /nfs/dbraw/zinc/44/77/99/944447799.db2.gz HBBNQOUTXKUEJO-WCBMZHEXSA-N 1 0 299.168 1.264 20 10 CDCDRO Cc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1Br ZINC001236298723 944457711 /nfs/dbraw/zinc/45/77/11/944457711.db2.gz UZBSOLWLLKPTLT-CMPLNLGQSA-N 1 0 297.196 1.867 20 10 CDCDRO COc1ccc(N2CCN(C[C@@H](C)[NH3+])CC2)c(C)c1 ZINC001236368004 944484367 /nfs/dbraw/zinc/48/43/67/944484367.db2.gz RWNVAORLLMDJRB-CYBMUJFWSA-N 1 0 263.385 1.473 20 10 CDCDRO CCCN1CCC[N@H+](Cc2ccc(N)cc2)CC1=O ZINC001262487756 946683612 /nfs/dbraw/zinc/68/36/12/946683612.db2.gz DRRYMQSBKMHJGS-UHFFFAOYSA-N 1 0 261.369 1.713 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603825 946759120 /nfs/dbraw/zinc/75/91/20/946759120.db2.gz WNLUNRLWMPLHMP-WCQYABFASA-N 1 0 276.384 1.538 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CC[NH2+]1 ZINC001246213020 948031350 /nfs/dbraw/zinc/03/13/50/948031350.db2.gz PVWDMLDCQKDSQC-GXSJLCMTSA-N 1 0 266.341 1.076 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)C2)c(O)c1 ZINC001249177588 949444678 /nfs/dbraw/zinc/44/46/78/949444678.db2.gz FHCSLUWFQICCCJ-LLVKDONJSA-N 1 0 263.337 1.950 20 10 CDCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)[C@@H]1CCOC1 ZINC001308353060 956520866 /nfs/dbraw/zinc/52/08/66/956520866.db2.gz CXXSJHGPGNGRIM-HIFRSBDPSA-N 1 0 288.391 1.974 20 10 CDCDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001334951712 959482895 /nfs/dbraw/zinc/48/28/95/959482895.db2.gz LKQAISYONXWKSS-JQWIXIFHSA-N 1 0 283.368 1.906 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(O)CCOC2)cc1F ZINC001351328666 966913523 /nfs/dbraw/zinc/91/35/23/966913523.db2.gz DTDAQXSNTRUWMJ-AWEZNQCLSA-N 1 0 286.322 1.272 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001351507540 966946558 /nfs/dbraw/zinc/94/65/58/966946558.db2.gz MILGLVHJHBOUBY-ZRNGKTOUSA-N 1 0 290.379 1.887 20 10 CDCDRO [NH2+]=C(NCc1ccc(N2CCSCC2)cc1)N1CCC1 ZINC000848993532 969386653 /nfs/dbraw/zinc/38/66/53/969386653.db2.gz GFJXYDJIPRKNDK-UHFFFAOYSA-N 1 0 290.436 1.970 20 10 CDCDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025145 969414880 /nfs/dbraw/zinc/41/48/80/969414880.db2.gz PTQHYKVIWVFORL-SECBINFHSA-N 1 0 251.330 1.813 20 10 CDCDRO Nc1ccc(-n2cc(CC[NH+]3CCCCC3)nn2)cc1 ZINC000849134614 969905930 /nfs/dbraw/zinc/90/59/30/969905930.db2.gz JDYSGFCNLBBRPL-UHFFFAOYSA-N 1 0 271.368 1.878 20 10 CDCDRO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598663243 994631711 /nfs/dbraw/zinc/63/17/11/994631711.db2.gz CNVREPLMSIMESN-ZJUUUORDSA-N 1 0 266.341 1.739 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193595822 342565993 /nfs/dbraw/zinc/56/59/93/342565993.db2.gz OHZHRYGKFSEKJS-ISVAXAHUSA-N 1 0 294.326 1.348 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CC[C@H](C)O)c1O ZINC000093481404 342428621 /nfs/dbraw/zinc/42/86/21/342428621.db2.gz PNZKMXHWELDLAA-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)CC2(O)CCOCC2)c1 ZINC000188843956 357944373 /nfs/dbraw/zinc/94/43/73/357944373.db2.gz BRNYOTDHDOCMNS-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)CO ZINC000083483186 358207760 /nfs/dbraw/zinc/20/77/60/358207760.db2.gz QEGVEFPNVHFCHF-QMMMGPOBSA-N 1 0 266.124 1.142 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCN2CCC(O)CC2)cc1C ZINC000294866402 199220594 /nfs/dbraw/zinc/22/05/94/199220594.db2.gz OWFKDRFPRDEGIY-UHFFFAOYSA-N 1 0 278.396 1.555 20 10 CDCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccccc1O ZINC000287170555 359270571 /nfs/dbraw/zinc/27/05/71/359270571.db2.gz CBQCIOGTBDOKDB-NSHDSACASA-N 1 0 253.342 1.830 20 10 CDCDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268852236 364103844 /nfs/dbraw/zinc/10/38/44/364103844.db2.gz PXEFASSUERPWCN-OLZOCXBDSA-N 1 0 296.386 1.941 20 10 CDCDRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc(N)cc2)CCSC1 ZINC000269223678 364161891 /nfs/dbraw/zinc/16/18/91/364161891.db2.gz BHCPTJDGHFKDJH-HNNXBMFYSA-N 1 0 293.436 1.365 20 10 CDCDRO COC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000271058011 364897070 /nfs/dbraw/zinc/89/70/70/364897070.db2.gz BIBALTUIMZQOCP-GFCCVEGCSA-N 1 0 297.351 1.257 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@]2(O)CCSC2)c1O ZINC000271794147 364999469 /nfs/dbraw/zinc/99/94/69/364999469.db2.gz HNWOEOVGBLROMY-CYBMUJFWSA-N 1 0 253.367 1.658 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000272830978 365414869 /nfs/dbraw/zinc/41/48/69/365414869.db2.gz HWTBDOWGEPSCBE-CHWSQXEVSA-N 1 0 264.369 1.764 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273619340 365513659 /nfs/dbraw/zinc/51/36/59/365513659.db2.gz YOENXKOAIKXVNM-KOLCDFICSA-N 1 0 292.335 1.060 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000289171522 369528898 /nfs/dbraw/zinc/52/88/98/369528898.db2.gz XMWMEYZIIIPEKN-LBPRGKRZSA-N 1 0 278.400 1.502 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000134539648 369569734 /nfs/dbraw/zinc/56/97/34/369569734.db2.gz HTTKOWQRUADDDC-CQSZACIVSA-N 1 0 275.396 1.759 20 10 CDCDRO C[C@H]([NH2+]CCO)c1cc(Br)ccc1O ZINC000134835081 369597605 /nfs/dbraw/zinc/59/76/05/369597605.db2.gz AXESBTRPYHTBQV-ZETCQYMHSA-N 1 0 260.131 1.798 20 10 CDCDRO [O-]c1c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)ccc(F)c1F ZINC001580885748 1172563674 /nfs/dbraw/zinc/56/36/74/1172563674.db2.gz MIFRAONYYKZSSP-KOLCDFICSA-N 1 0 268.307 1.712 20 10 CDCDRO Cc1c(/C=C/C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cnn1C ZINC000493050833 253356700 /nfs/dbraw/zinc/35/67/00/253356700.db2.gz OYUCUAAARLWOOG-MVGZEHJDSA-N 1 0 296.374 1.658 20 10 CDCDRO Cc1cc(CN2CCO[C@H](C[NH+](C)C)C2)ccc1N(C)C ZINC000293023009 291891363 /nfs/dbraw/zinc/89/13/63/291891363.db2.gz IJOYEQQMNIMJRR-MRXNPFEDSA-N 1 0 291.439 1.823 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](C)O)c1O ZINC000051839014 390477968 /nfs/dbraw/zinc/47/79/68/390477968.db2.gz SCDUNPCUAFXJGI-QMMMGPOBSA-N 1 0 255.289 1.547 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCN2CCOCC2)c1O ZINC000092974776 390898768 /nfs/dbraw/zinc/89/87/68/390898768.db2.gz UYSMYYYYENFZDW-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(C)ccc1O ZINC000093718086 390903778 /nfs/dbraw/zinc/90/37/78/390903778.db2.gz KSJAQPJUVLUQNI-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)[C@@H](C)C[NH3+])CC2)cc1 ZINC000375825134 391200364 /nfs/dbraw/zinc/20/03/64/391200364.db2.gz PIBKUQOJQVZQGH-ZDUSSCGKSA-N 1 0 291.395 1.329 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000179558594 391210818 /nfs/dbraw/zinc/21/08/18/391210818.db2.gz YMSULHBXHXBHCT-UHFFFAOYSA-N 1 0 270.336 1.504 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000179581592 391212967 /nfs/dbraw/zinc/21/29/67/391212967.db2.gz SNZFFHMTUZTVET-GFCCVEGCSA-N 1 0 264.325 1.241 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183420527 391264314 /nfs/dbraw/zinc/26/43/14/391264314.db2.gz CUADSFZGGKLHEX-LLVKDONJSA-N 1 0 280.368 1.485 20 10 CDCDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1O ZINC000183441837 391264761 /nfs/dbraw/zinc/26/47/61/391264761.db2.gz RZNRXFBVEDCCJT-ZDUSSCGKSA-N 1 0 278.396 1.890 20 10 CDCDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1O ZINC000183720475 391269096 /nfs/dbraw/zinc/26/90/96/391269096.db2.gz QPXSHQXYHXNVJO-JTQLQIEISA-N 1 0 274.324 1.196 20 10 CDCDRO CCN(CC[NH2+]Cc1cc(OC)ccc1O)C1CC1 ZINC000224577308 393124649 /nfs/dbraw/zinc/12/46/49/393124649.db2.gz HNQAFGGEDCGTKW-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NC(C)C)c1 ZINC000135728447 393309698 /nfs/dbraw/zinc/30/96/98/393309698.db2.gz DHVOKBWOIZYMMH-NSHDSACASA-N 1 0 280.368 1.966 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000062745043 287025777 /nfs/dbraw/zinc/02/57/77/287025777.db2.gz VZNQQPUIRCOEOH-CYBMUJFWSA-N 1 0 295.402 1.819 20 10 CDCDRO CCOCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000156089842 261113707 /nfs/dbraw/zinc/11/37/07/261113707.db2.gz GPQNCMGRNUXZNI-UHFFFAOYSA-N 1 0 253.298 1.589 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166460612 261389798 /nfs/dbraw/zinc/38/97/98/261389798.db2.gz PNPMNIZRCYWABJ-JTQLQIEISA-N 1 0 267.348 1.363 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC)[C@H]2CCNC2=O)c1 ZINC000281865076 263072528 /nfs/dbraw/zinc/07/25/28/263072528.db2.gz VSHCYJOZZIJCPY-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nncn2C)c(O)c1 ZINC000283843036 263084511 /nfs/dbraw/zinc/08/45/11/263084511.db2.gz AYZAKZFWVTZZGA-LLVKDONJSA-N 1 0 260.341 1.988 20 10 CDCDRO C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1O ZINC000367594779 267102818 /nfs/dbraw/zinc/10/28/18/267102818.db2.gz SPKRAMQLBUWGEK-GASCZTMLSA-N 1 0 276.380 1.687 20 10 CDCDRO NC(=O)C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000368134342 267147687 /nfs/dbraw/zinc/14/76/87/267147687.db2.gz LVOYXZIWFCRXMY-SECBINFHSA-N 1 0 268.744 1.743 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000185830100 327846940 /nfs/dbraw/zinc/84/69/40/327846940.db2.gz XEPNJVKASFDIDU-SDDRHHMPSA-N 1 0 263.337 1.988 20 10 CDCDRO COCCOCC[N@H+](C)Cc1cccc(C)c1O ZINC000290171024 328105273 /nfs/dbraw/zinc/10/52/73/328105273.db2.gz MWGWKVVJNMEWDT-UHFFFAOYSA-N 1 0 253.342 1.795 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000293753921 328277603 /nfs/dbraw/zinc/27/76/03/328277603.db2.gz XCFYTXMSQBGUAK-TXEJJXNPSA-N 1 0 294.395 1.934 20 10 CDCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134129621 334081733 /nfs/dbraw/zinc/08/17/33/334081733.db2.gz SOJVIRSJLRPLEG-AWEZNQCLSA-N 1 0 296.798 1.952 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1OC ZINC000274847867 520428370 /nfs/dbraw/zinc/42/83/70/520428370.db2.gz ATWGTJDAUXKUNH-YUTCNCBUSA-N 1 0 269.316 1.813 20 10 CDCDRO CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823765 519365768 /nfs/dbraw/zinc/36/57/68/519365768.db2.gz KPYTUCQDPMCVGC-LBPRGKRZSA-N 1 0 250.342 1.724 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)NC)cc1F ZINC000291680350 520909169 /nfs/dbraw/zinc/90/91/69/520909169.db2.gz HPMQVQTZMRCKQO-NSHDSACASA-N 1 0 281.375 1.896 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)C(=O)NC)c1 ZINC000093899574 521140440 /nfs/dbraw/zinc/14/04/40/521140440.db2.gz KKMRJIFNSWQIMJ-NSHDSACASA-N 1 0 280.368 1.605 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1ccc(N(C)C)cc1 ZINC000265819205 521144403 /nfs/dbraw/zinc/14/44/03/521144403.db2.gz KORVYFMEAHRESD-UHFFFAOYSA-N 1 0 266.385 1.583 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@@H]1CCCO1 ZINC000279386537 522363430 /nfs/dbraw/zinc/36/34/30/522363430.db2.gz JVKSHXKHLAFBAH-KGLIPLIRSA-N 1 0 265.353 1.984 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccccc1O ZINC000274878186 522614622 /nfs/dbraw/zinc/61/46/22/522614622.db2.gz HANRRHPEPQRAKC-DZGCQCFKSA-N 1 0 275.352 1.900 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292174181 523378892 /nfs/dbraw/zinc/37/88/92/523378892.db2.gz WHMKRHXKXWAQLG-CYBMUJFWSA-N 1 0 262.353 1.883 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000295322672 523411556 /nfs/dbraw/zinc/41/15/56/523411556.db2.gz ZDELAMZRMYKOQI-UONOGXRCSA-N 1 0 261.369 1.316 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000260202886 523962424 /nfs/dbraw/zinc/96/24/24/523962424.db2.gz VFSOYKQHURMXLN-ZDUSSCGKSA-N 1 0 262.353 1.748 20 10 CDCDRO O=C([C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1)N1CCCC1 ZINC000290542241 526481614 /nfs/dbraw/zinc/48/16/14/526481614.db2.gz RHIGDXHJQXSBHR-GFCCVEGCSA-N 1 0 292.354 1.976 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000729535370 574814818 /nfs/dbraw/zinc/81/48/18/574814818.db2.gz QBLXCJGELOFLPV-QWRGUYRKSA-N 1 0 278.352 1.530 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000730818411 575012553 /nfs/dbraw/zinc/01/25/53/575012553.db2.gz UTKPVWAWHXBRMY-CYBMUJFWSA-N 1 0 284.787 1.856 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000773740987 575837203 /nfs/dbraw/zinc/83/72/03/575837203.db2.gz RJELDMGOVZUGSP-YPMHNXCESA-N 1 0 292.379 1.629 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(O)c1 ZINC000765268350 576003204 /nfs/dbraw/zinc/00/32/04/576003204.db2.gz VYOYCHBJHISEQT-CYBMUJFWSA-N 1 0 299.392 1.458 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC(=O)N2CCCC2)c(O)c1 ZINC000768215716 576265173 /nfs/dbraw/zinc/26/51/73/576265173.db2.gz XCOSRHNWFUYABH-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO CC[N@H+](CCCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769483424 576357833 /nfs/dbraw/zinc/35/78/33/576357833.db2.gz QANDJOPXVAIDKP-UHFFFAOYSA-N 1 0 296.386 1.867 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000761222168 576561134 /nfs/dbraw/zinc/56/11/34/576561134.db2.gz IMCWPUUSELAHHU-OCCSQVGLSA-N 1 0 269.316 1.815 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000743638975 576648668 /nfs/dbraw/zinc/64/86/68/576648668.db2.gz TXDKJZPSVDYLRB-BDAKNGLRSA-N 1 0 254.355 1.666 20 10 CDCDRO COc1ccc(N2CC[NH+](CC3(C)COC3)CC2)cc1 ZINC000743835922 576656321 /nfs/dbraw/zinc/65/63/21/576656321.db2.gz KSWBAKGVLDUVDT-UHFFFAOYSA-N 1 0 276.380 1.854 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1O ZINC000757663535 577049311 /nfs/dbraw/zinc/04/93/11/577049311.db2.gz CBVROKSKVSKPSN-SMDDNHRTSA-N 1 0 289.379 1.674 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000759171819 577156800 /nfs/dbraw/zinc/15/68/00/577156800.db2.gz ASDCTSZDTGGGAE-GDBMZVCRSA-N 1 0 277.364 1.905 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC000965991789 617259080 /nfs/dbraw/zinc/25/90/80/617259080.db2.gz RMCDDDCCHJVBPX-GFCCVEGCSA-N 1 0 298.333 1.959 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000892004615 617402629 /nfs/dbraw/zinc/40/26/29/617402629.db2.gz HNWGDJRRDLXOFM-GHMZBOCLSA-N 1 0 263.341 1.504 20 10 CDCDRO C[C@@H](CCC[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892138974 617501921 /nfs/dbraw/zinc/50/19/21/617501921.db2.gz IMDDCIMMGKXPAU-JTQLQIEISA-N 1 0 263.341 1.545 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(OC)CCOC2)c(O)c1OC ZINC000893612139 617670121 /nfs/dbraw/zinc/67/01/21/617670121.db2.gz NQZVXTYBPZHUJH-OAHLLOKOSA-N 1 0 297.351 1.305 20 10 CDCDRO CC[C@H](COC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893024198 618069358 /nfs/dbraw/zinc/06/93/58/618069358.db2.gz SJUAUWVQMUKTOL-LLVKDONJSA-N 1 0 269.341 1.924 20 10 CDCDRO CCN1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892431914 618195348 /nfs/dbraw/zinc/19/53/48/618195348.db2.gz FXOKDSBAXWXCCP-UHFFFAOYSA-N 1 0 294.395 1.983 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(O)c1OC ZINC000893959566 618225423 /nfs/dbraw/zinc/22/54/23/618225423.db2.gz KWQKGFJRIWVFIQ-PWSUYJOCSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000894016322 618247872 /nfs/dbraw/zinc/24/78/72/618247872.db2.gz AXUUVIRWBXVYCU-CQSZACIVSA-N 1 0 295.379 1.683 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1F ZINC000818234217 618503389 /nfs/dbraw/zinc/50/33/89/618503389.db2.gz VKOXVXOZBJESHZ-GFCCVEGCSA-N 1 0 293.342 1.129 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCSCCCO)c1O ZINC000894234010 618741510 /nfs/dbraw/zinc/74/15/10/618741510.db2.gz CFOOGKJZPSIOBT-UHFFFAOYSA-N 1 0 285.409 1.914 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCC2)c1O ZINC000894353543 618813356 /nfs/dbraw/zinc/81/33/56/618813356.db2.gz AZQNSBWEQHSJCN-UHFFFAOYSA-N 1 0 250.342 1.505 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)[C@@H]1OC ZINC000894466527 618903386 /nfs/dbraw/zinc/90/33/86/618903386.db2.gz HGKDFVHUUYGRAW-BJJXKVORSA-N 1 0 295.379 1.991 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000894542573 618952551 /nfs/dbraw/zinc/95/25/51/618952551.db2.gz NGGCCOSLYQVDDX-UHFFFAOYSA-N 1 0 278.352 1.939 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1O ZINC000894664151 619007879 /nfs/dbraw/zinc/00/78/79/619007879.db2.gz VURSFGPMYPNTAM-ZWNOBZJWSA-N 1 0 278.352 1.323 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000894664148 619007911 /nfs/dbraw/zinc/00/79/11/619007911.db2.gz VURSFGPMYPNTAM-GWCFXTLKSA-N 1 0 278.352 1.323 20 10 CDCDRO COc1ccc(C[NH2+]Cc2conc2C)c(O)c1OC ZINC000894697973 619024567 /nfs/dbraw/zinc/02/45/67/619024567.db2.gz SSEZZEOTJILNGK-UHFFFAOYSA-N 1 0 278.308 1.996 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1O ZINC000894887562 619123313 /nfs/dbraw/zinc/12/33/13/619123313.db2.gz FQWBFQQFBDPFJN-SWLSCSKDSA-N 1 0 295.379 1.850 20 10 CDCDRO COc1ccc(C[NH2+]CC2(N(C)C)CC2)c(O)c1OC ZINC000894955144 619158449 /nfs/dbraw/zinc/15/84/49/619158449.db2.gz HMNZQKFYZIQSEG-UHFFFAOYSA-N 1 0 280.368 1.593 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894992589 619181267 /nfs/dbraw/zinc/18/12/67/619181267.db2.gz KLEZJNRAWAUTEN-SECBINFHSA-N 1 0 284.306 1.581 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000896141339 619999941 /nfs/dbraw/zinc/99/99/41/619999941.db2.gz MQIINOOOOZOQIJ-AAEUAGOBSA-N 1 0 263.337 1.942 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896384426 620080848 /nfs/dbraw/zinc/08/08/48/620080848.db2.gz KJOUHTDBJIMIKR-LBPRGKRZSA-N 1 0 279.336 1.596 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000896962310 620325883 /nfs/dbraw/zinc/32/58/83/620325883.db2.gz KSDYPGNESDTDBI-SNVBAGLBSA-N 1 0 293.319 1.506 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897676763 621063301 /nfs/dbraw/zinc/06/33/01/621063301.db2.gz XKZBATCOYWECQZ-CMPLNLGQSA-N 1 0 251.326 1.522 20 10 CDCDRO CCOc1ccc(O)c(CN[C@H]2CCC[NH2+]C2)c1 ZINC000841041642 621550661 /nfs/dbraw/zinc/55/06/61/621550661.db2.gz CJWGGIPBURVHKJ-LBPRGKRZSA-N 1 0 250.342 1.633 20 10 CDCDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000911783036 629500223 /nfs/dbraw/zinc/50/02/23/629500223.db2.gz OYVKMDNEEZLCQI-BXUZGUMPSA-N 1 0 263.385 1.691 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC000921644383 633121310 /nfs/dbraw/zinc/12/13/10/633121310.db2.gz PCNJASYXORNQGC-ZDUSSCGKSA-N 1 0 260.337 1.332 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000808748536 1162902629 /nfs/dbraw/zinc/90/26/29/1162902629.db2.gz RNTOZIXYZMJIQP-GFCCVEGCSA-N 1 0 276.384 1.428 20 10 CDCDRO C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(Cl)c1[O-] ZINC000809741297 1163081088 /nfs/dbraw/zinc/08/10/88/1163081088.db2.gz MERQOITVJJTPMI-UHFFFAOYSA-N 1 0 299.846 1.971 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(C)cc1O ZINC000794811683 1164610400 /nfs/dbraw/zinc/61/04/00/1164610400.db2.gz XWCBFVLPBUYHAS-OCCSQVGLSA-N 1 0 266.385 1.664 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000122972546 1165145481 /nfs/dbraw/zinc/14/54/81/1165145481.db2.gz SJFXPEMSGFHNCG-OAHLLOKOSA-N 1 0 264.369 1.648 20 10 CDCDRO CO[C@@]1(C[N@H+](C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000876511742 1165860505 /nfs/dbraw/zinc/86/05/05/1165860505.db2.gz UNUOCFJJGCJSEC-MRXNPFEDSA-N 1 0 278.396 1.990 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000877489938 1166046927 /nfs/dbraw/zinc/04/69/27/1166046927.db2.gz RCOSPYBTVVEHNL-BXUZGUMPSA-N 1 0 251.326 1.330 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877494971 1166048205 /nfs/dbraw/zinc/04/82/05/1166048205.db2.gz QSAPXUPKTHZBSQ-OAHLLOKOSA-N 1 0 262.353 1.659 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCNC2=O)cc1Cl ZINC000826120297 1166411058 /nfs/dbraw/zinc/41/10/58/1166411058.db2.gz BKLRYTLVFZVIQJ-JTQLQIEISA-N 1 0 282.771 1.970 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC001578489984 1171934059 /nfs/dbraw/zinc/93/40/59/1171934059.db2.gz ZNWDELNZYLCOFW-SHTZXODSSA-N 1 0 287.407 1.983 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C2CCN(C)CC2)c1 ZINC000131730275 1175786073 /nfs/dbraw/zinc/78/60/73/1175786073.db2.gz ZNQQQXGKUZCGPT-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000271155942 1183713457 /nfs/dbraw/zinc/71/34/57/1183713457.db2.gz CWZUIMVHQRJNIB-ZDUSSCGKSA-N 1 0 273.332 1.739 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1COC[C@@H]1O ZINC000323526599 1186805689 /nfs/dbraw/zinc/80/56/89/1186805689.db2.gz JENYJBAVVXDNEL-XZUYRWCXSA-N 1 0 263.337 1.598 20 10 CDCDRO OC[C@H](CCF)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877614836 1166067075 /nfs/dbraw/zinc/06/70/75/1166067075.db2.gz NJJWYBDXEVNIDN-AWEZNQCLSA-N 1 0 296.386 1.458 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000775131855 783654142 /nfs/dbraw/zinc/65/41/42/783654142.db2.gz XJKGOHFJMJTKDM-NSHDSACASA-N 1 0 271.382 1.868 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000841949876 783762388 /nfs/dbraw/zinc/76/23/88/783762388.db2.gz IJKBGKARXHPALT-UHFFFAOYSA-N 1 0 278.400 1.631 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](CCS(C)(=O)=O)C(C)C ZINC000876773004 783791855 /nfs/dbraw/zinc/79/18/55/783791855.db2.gz LFZBETGYSYWDTA-UHFFFAOYSA-N 1 0 285.409 1.956 20 10 CDCDRO O=C(CCn1ccnc1)NCc1cc(Cl)ccc1O ZINC000857547898 783833117 /nfs/dbraw/zinc/83/31/17/783833117.db2.gz ZNBDDJQBKNHJLO-UHFFFAOYSA-N 1 0 279.727 1.949 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000841943967 783885620 /nfs/dbraw/zinc/88/56/20/783885620.db2.gz RXCRAVSUONXAJF-ZWNOBZJWSA-N 1 0 295.383 1.744 20 10 CDCDRO C[S@@](=O)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000116918510 783886812 /nfs/dbraw/zinc/88/68/12/783886812.db2.gz XUKIMPFDZKYKNS-FQEVSTJZSA-N 1 0 296.436 1.381 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850078322 783950861 /nfs/dbraw/zinc/95/08/61/783950861.db2.gz WEIKMWGCWHKXEA-UHFFFAOYSA-N 1 0 294.395 1.924 20 10 CDCDRO C[NH+](C)CCCNC(=O)CSc1nccs1 ZINC000193655847 783955620 /nfs/dbraw/zinc/95/56/20/783955620.db2.gz DPSASIWBXPVJNM-UHFFFAOYSA-N 1 0 259.400 1.303 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)O ZINC000824921643 783975392 /nfs/dbraw/zinc/97/53/92/783975392.db2.gz OPDRDBSUVYYMHH-IUODEOHRSA-N 1 0 296.386 1.911 20 10 CDCDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000789556565 784007925 /nfs/dbraw/zinc/00/79/25/784007925.db2.gz CMOAQWDQOQOGHN-KRWDZBQOSA-N 1 0 290.407 1.870 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2c(C)cccc2O)C1 ZINC000877607385 784038144 /nfs/dbraw/zinc/03/81/44/784038144.db2.gz ACQHYCFALZZBDF-NEPJUHHUSA-N 1 0 279.336 1.056 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCN2C)c(O)c1 ZINC000858235125 784103546 /nfs/dbraw/zinc/10/35/46/784103546.db2.gz DAYQEONCMJDHEB-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)[C@@H](C)O ZINC000929294347 784109180 /nfs/dbraw/zinc/10/91/80/784109180.db2.gz CLIXTYOBBYLTTA-CJNGLKHVSA-N 1 0 280.412 1.705 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000830148433 784109575 /nfs/dbraw/zinc/10/95/75/784109575.db2.gz WRYWMOIQKUDNPS-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO COC[C@]1(CN[C@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000817974194 784292208 /nfs/dbraw/zinc/29/22/08/784292208.db2.gz JDRCWKBLFUYMTL-MLGOLLRUSA-N 1 0 294.395 1.820 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877573346 784389541 /nfs/dbraw/zinc/38/95/41/784389541.db2.gz ORCAEBRRTKFQLH-HNNXBMFYSA-N 1 0 265.353 1.531 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CNCCO1 ZINC000841098508 784459726 /nfs/dbraw/zinc/45/97/26/784459726.db2.gz HFSCLSJKCBOTLS-SECBINFHSA-N 1 0 256.733 1.124 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCCC(=O)N(C)C)c1O ZINC000846142968 784486435 /nfs/dbraw/zinc/48/64/35/784486435.db2.gz XKCWILYGJJKZTE-NSHDSACASA-N 1 0 280.368 1.920 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)c(O)c1 ZINC000876514642 784500473 /nfs/dbraw/zinc/50/04/73/784500473.db2.gz SCRINPJJAZUDRQ-UHFFFAOYSA-N 1 0 289.379 1.690 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759517 784567761 /nfs/dbraw/zinc/56/77/61/784567761.db2.gz HCGXFYAFZAKVRR-CYBMUJFWSA-N 1 0 296.390 1.674 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783737022 784606383 /nfs/dbraw/zinc/60/63/83/784606383.db2.gz XYYVJVAPGLEEFH-SWLSCSKDSA-N 1 0 263.337 1.605 20 10 CDCDRO O=C1NCCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000840826815 784819268 /nfs/dbraw/zinc/81/92/68/784819268.db2.gz WJMULGDGIFOMGZ-VXGBXAGGSA-N 1 0 260.337 1.495 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000841032738 784831436 /nfs/dbraw/zinc/83/14/36/784831436.db2.gz GDEYTIDEZNGSMW-GHMZBOCLSA-N 1 0 278.352 1.599 20 10 CDCDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817945032 784883684 /nfs/dbraw/zinc/88/36/84/784883684.db2.gz RVLRFOLBVMWWNU-JSGCOSHPSA-N 1 0 293.386 1.675 20 10 CDCDRO C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CC[NH2+]C1 ZINC000830597470 784964545 /nfs/dbraw/zinc/96/45/45/784964545.db2.gz KAQUZPHFDDCZTP-QGZVFWFLSA-N 1 0 288.391 1.887 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000877022717 785011001 /nfs/dbraw/zinc/01/10/01/785011001.db2.gz QPNZZALTXCWWNW-ZIAGYGMSSA-N 1 0 276.380 1.653 20 10 CDCDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc(O)c(O)c1 ZINC000934945255 785016928 /nfs/dbraw/zinc/01/69/28/785016928.db2.gz YOLPXLHWXVMGQM-UHFFFAOYSA-N 1 0 266.341 1.492 20 10 CDCDRO CN(CC[NH2+]Cc1cc(F)ccc1O)CC(F)F ZINC000862549632 785016991 /nfs/dbraw/zinc/01/69/91/785016991.db2.gz CHCNXYOHIHZMCX-UHFFFAOYSA-N 1 0 262.275 1.818 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc(C)cc1O ZINC000817982025 785152537 /nfs/dbraw/zinc/15/25/37/785152537.db2.gz AYYXMGCPRCECNB-OCCSQVGLSA-N 1 0 264.369 1.730 20 10 CDCDRO C[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCCOC1 ZINC000221371865 785189858 /nfs/dbraw/zinc/18/98/58/785189858.db2.gz YGFWMLOTLHVFNY-CQSZACIVSA-N 1 0 265.309 1.780 20 10 CDCDRO C[NH+]1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181009760 785233147 /nfs/dbraw/zinc/23/31/47/785233147.db2.gz UDMZKQRSHZQXMI-HWKANZROSA-N 1 0 290.363 1.569 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000128095274 785309216 /nfs/dbraw/zinc/30/92/16/785309216.db2.gz YTJODJUYRQFZQA-NEPJUHHUSA-N 1 0 251.326 1.650 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000841855310 785436062 /nfs/dbraw/zinc/43/60/62/785436062.db2.gz DHSBEEKQDSMZTH-HUUCEWRRSA-N 1 0 287.407 1.659 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](O)C2CC2)c1 ZINC000809751245 785519002 /nfs/dbraw/zinc/51/90/02/785519002.db2.gz GDBZRTJMTPPOHV-OAHLLOKOSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000836620348 785524139 /nfs/dbraw/zinc/52/41/39/785524139.db2.gz BXMCQNBBFGRWQU-NSHDSACASA-N 1 0 296.390 1.641 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000848909681 785726137 /nfs/dbraw/zinc/72/61/37/785726137.db2.gz ZIWBKSJIWOKAHD-MFKMUULPSA-N 1 0 262.353 1.569 20 10 CDCDRO C[NH2+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843052989 785840298 /nfs/dbraw/zinc/84/02/98/785840298.db2.gz SCMYAICDAHZKFM-JTQLQIEISA-N 1 0 295.339 1.350 20 10 CDCDRO Cc1ccc(C(=O)N2CCC23CC[NH+](C)CC3)c(O)c1O ZINC000889222986 785849507 /nfs/dbraw/zinc/84/95/07/785849507.db2.gz IOMJHNKQWPFJFT-UHFFFAOYSA-N 1 0 290.363 1.717 20 10 CDCDRO COC(=O)C1CC([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000877720793 785885912 /nfs/dbraw/zinc/88/59/12/785885912.db2.gz DPFVAIOEVJGQQA-UHFFFAOYSA-N 1 0 280.343 1.933 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2(CO)CCCC2)c1 ZINC000053044733 785967356 /nfs/dbraw/zinc/96/73/56/785967356.db2.gz UXNYKPOSRIXDRA-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000854233323 785970745 /nfs/dbraw/zinc/97/07/45/785970745.db2.gz XUPYUBJTCYNWPE-QWHCGFSZSA-N 1 0 295.402 1.921 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC2(CO)CCC2)cc1OC ZINC000183234056 786084767 /nfs/dbraw/zinc/08/47/67/786084767.db2.gz IDZRNWRXALUACL-UHFFFAOYSA-N 1 0 281.352 1.662 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CO)(CO)CC1 ZINC000877796431 786100241 /nfs/dbraw/zinc/10/02/41/786100241.db2.gz MMEDGYYBAIVLFC-UHFFFAOYSA-N 1 0 292.423 1.628 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(CCNC3=O)CC2)c1 ZINC000877782478 786163839 /nfs/dbraw/zinc/16/38/39/786163839.db2.gz APSSEERSQZJEMA-UHFFFAOYSA-N 1 0 290.363 1.503 20 10 CDCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)NCC1CC1 ZINC000887350152 786176265 /nfs/dbraw/zinc/17/62/65/786176265.db2.gz WJGKJERGKOCYKZ-UHFFFAOYSA-N 1 0 288.395 1.547 20 10 CDCDRO CCOc1cccc(CN2C[C@H](CO)O[C@@H](C)C2)c1O ZINC000249367994 786202898 /nfs/dbraw/zinc/20/28/98/786202898.db2.gz OPWKFOGHZPMMTG-WCQYABFASA-N 1 0 281.352 1.373 20 10 CDCDRO CON1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000709372973 786223919 /nfs/dbraw/zinc/22/39/19/786223919.db2.gz FMWODMJPFDDIJA-ZDUSSCGKSA-N 1 0 262.353 1.995 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817934995 786312833 /nfs/dbraw/zinc/31/28/33/786312833.db2.gz DROVNFVGOQZVJS-LLVKDONJSA-N 1 0 299.365 1.616 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)OC)c1 ZINC000858586578 786322465 /nfs/dbraw/zinc/32/24/65/786322465.db2.gz FQATZQWKAYKVSX-NXEZZACHSA-N 1 0 282.340 1.460 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1(CO)CCC1 ZINC000827903202 786764349 /nfs/dbraw/zinc/76/43/49/786764349.db2.gz FRYBWIGQRXBDNI-UHFFFAOYSA-N 1 0 265.309 1.468 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000817281496 786811660 /nfs/dbraw/zinc/81/16/60/786811660.db2.gz XGECDRSJSGPZMW-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000886228641 786817619 /nfs/dbraw/zinc/81/76/19/786817619.db2.gz CMMUOXPCCUDZMB-HUUCEWRRSA-N 1 0 277.364 1.641 20 10 CDCDRO CC[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C ZINC000779542257 786837835 /nfs/dbraw/zinc/83/78/35/786837835.db2.gz OBMMSNUZEMBFBU-SMYYYNMVSA-N 1 0 290.363 1.664 20 10 CDCDRO CC[C@@H](COC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776213557 786860603 /nfs/dbraw/zinc/86/06/03/786860603.db2.gz UEELGZCLJKHFGJ-NSHDSACASA-N 1 0 269.341 1.924 20 10 CDCDRO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237481773 786864165 /nfs/dbraw/zinc/86/41/65/786864165.db2.gz NTJPDIPSCKHVOQ-GFCCVEGCSA-N 1 0 291.395 1.438 20 10 CDCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000037267761 786868596 /nfs/dbraw/zinc/86/85/96/786868596.db2.gz FBFQDOKRBYBIGF-VXGBXAGGSA-N 1 0 263.385 1.880 20 10 CDCDRO CO[C@H](C)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000796640987 786879870 /nfs/dbraw/zinc/87/98/70/786879870.db2.gz QQCYWVMSYHHVFW-CYBMUJFWSA-N 1 0 293.411 1.336 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc1F ZINC000851656648 786991549 /nfs/dbraw/zinc/99/15/49/786991549.db2.gz OBANATPOSOQNED-UHFFFAOYSA-N 1 0 296.390 1.770 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090074942 787001562 /nfs/dbraw/zinc/00/15/62/787001562.db2.gz ODLXTGBPYOOFBQ-RISCZKNCSA-N 1 0 261.369 1.634 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000130403986 787021557 /nfs/dbraw/zinc/02/15/57/787021557.db2.gz MWTDHBNNUDCNOC-IUODEOHRSA-N 1 0 291.395 1.438 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000706733395 787048797 /nfs/dbraw/zinc/04/87/97/787048797.db2.gz HCLBCEQQEJZDFO-GHMZBOCLSA-N 1 0 287.743 1.294 20 10 CDCDRO O=S1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000157957253 787132460 /nfs/dbraw/zinc/13/24/60/787132460.db2.gz DHQNZQCZBJKRTB-UHFFFAOYSA-N 1 0 265.378 1.622 20 10 CDCDRO Nc1cnccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000882953058 787147203 /nfs/dbraw/zinc/14/72/03/787147203.db2.gz KONZFMOFGVJFDH-UHFFFAOYSA-N 1 0 255.321 1.889 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827133316 787375333 /nfs/dbraw/zinc/37/53/33/787375333.db2.gz SPZCJGXMEFIKOK-GXTWGEPZSA-N 1 0 274.364 1.801 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(O)c1 ZINC000876625882 787419410 /nfs/dbraw/zinc/41/94/10/787419410.db2.gz IEGHXFUVGZVLOB-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1O ZINC000841080740 787873915 /nfs/dbraw/zinc/87/39/15/787873915.db2.gz YCMKHSPWMBVOOK-QWRGUYRKSA-N 1 0 288.750 1.844 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815619236 787882441 /nfs/dbraw/zinc/88/24/41/787882441.db2.gz HHJSGJQEYCEDRI-NSHDSACASA-N 1 0 286.397 1.209 20 10 CDCDRO O=C(NCC[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000134225185 787889114 /nfs/dbraw/zinc/88/91/14/787889114.db2.gz RJHGOBMIEOSWLH-UHFFFAOYSA-N 1 0 268.744 1.661 20 10 CDCDRO CN(Cc1cc(Br)ccc1O)[C@H]1CC[NH2+]C1 ZINC000220106999 787895738 /nfs/dbraw/zinc/89/57/38/787895738.db2.gz XSZIZBAODXDWJC-NSHDSACASA-N 1 0 285.185 1.948 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CO[C@H](C)C2)cc1OC ZINC000843433007 787931567 /nfs/dbraw/zinc/93/15/67/787931567.db2.gz UDQLIOGSLCWFAA-MWLCHTKSSA-N 1 0 267.325 1.676 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000825973796 787989932 /nfs/dbraw/zinc/98/99/32/787989932.db2.gz QONVZUPWGSMPNG-GDBMZVCRSA-N 1 0 273.380 1.368 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000219117958 788023794 /nfs/dbraw/zinc/02/37/94/788023794.db2.gz WNMBHOMNUIBYCL-HNNXBMFYSA-N 1 0 294.395 1.010 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC(=O)NC2CC2)cc1Cl ZINC000825934101 788057835 /nfs/dbraw/zinc/05/78/35/788057835.db2.gz HAGUIUSPCQURCT-UHFFFAOYSA-N 1 0 268.744 1.722 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000311998775 788217472 /nfs/dbraw/zinc/21/74/72/788217472.db2.gz UDXAISDZWFOALY-LLVKDONJSA-N 1 0 287.356 1.540 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(O)c1 ZINC000780786227 788233049 /nfs/dbraw/zinc/23/30/49/788233049.db2.gz JIOMIBGGQDTUGV-NEPJUHHUSA-N 1 0 265.353 1.994 20 10 CDCDRO CCc1cccc(C[N@H+](CCOC)CCC(=O)OC)c1O ZINC000848885854 788266162 /nfs/dbraw/zinc/26/61/62/788266162.db2.gz AZUQXCLIOAVTIR-UHFFFAOYSA-N 1 0 295.379 1.966 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846145186 788312972 /nfs/dbraw/zinc/31/29/72/788312972.db2.gz LVGVCPSQQDNOHB-STQMWFEESA-N 1 0 294.395 1.772 20 10 CDCDRO Cc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)c(O)c1O ZINC000855416247 788341835 /nfs/dbraw/zinc/34/18/35/788341835.db2.gz UVZKJAYFHOHJEB-JTQLQIEISA-N 1 0 266.341 1.476 20 10 CDCDRO CC[NH2+]CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841917115 788375827 /nfs/dbraw/zinc/37/58/27/788375827.db2.gz FGBHYRRSDQJXDO-UHFFFAOYSA-N 1 0 264.373 1.110 20 10 CDCDRO C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000841881634 788378913 /nfs/dbraw/zinc/37/89/13/788378913.db2.gz UAASDFMQIFYYDD-RYUDHWBXSA-N 1 0 278.400 1.802 20 10 CDCDRO Oc1ccc(F)cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300435137 788383223 /nfs/dbraw/zinc/38/32/23/788383223.db2.gz OTACKHYLHRYECI-GXFFZTMASA-N 1 0 250.317 1.715 20 10 CDCDRO COc1cccc(C[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000922939567 788597394 /nfs/dbraw/zinc/59/73/94/788597394.db2.gz QQSYTQMLGZRANX-GFCCVEGCSA-N 1 0 267.325 1.296 20 10 CDCDRO Cc1cc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)ccc1N(C)C ZINC000881377359 788650873 /nfs/dbraw/zinc/65/08/73/788650873.db2.gz KGJUVGCRVNXCHR-CQSZACIVSA-N 1 0 299.422 1.853 20 10 CDCDRO CCc1cccc(C[N@H+](CCO)C2CCN(C)CC2)c1O ZINC000848876370 788744058 /nfs/dbraw/zinc/74/40/58/788744058.db2.gz HSTGVFZBBNAFLQ-UHFFFAOYSA-N 1 0 292.423 1.843 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000848412591 788816148 /nfs/dbraw/zinc/81/61/48/788816148.db2.gz VWERGZYPZVIGOB-VIFPVBQESA-N 1 0 253.321 1.116 20 10 CDCDRO CC[NH2+]CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000843488998 788831696 /nfs/dbraw/zinc/83/16/96/788831696.db2.gz AHWQVFXYGAPOHD-VIFPVBQESA-N 1 0 252.314 1.188 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000126500278 788844114 /nfs/dbraw/zinc/84/41/14/788844114.db2.gz VQRZPFVJIZNQPR-UWVGGRQHSA-N 1 0 264.325 1.310 20 10 CDCDRO CN(C)c1cc(F)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000862253161 788937876 /nfs/dbraw/zinc/93/78/76/788937876.db2.gz LQISFTGACUQTIF-TXEJJXNPSA-N 1 0 281.350 1.682 20 10 CDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000164287153 789019094 /nfs/dbraw/zinc/01/90/94/789019094.db2.gz FSSFKQVUYKKDNM-ZKANADHPSA-N 1 0 261.774 1.902 20 10 CDCDRO O=C1NCCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000877782502 789120570 /nfs/dbraw/zinc/12/05/70/789120570.db2.gz BQFPVGJHFZQCLL-UHFFFAOYSA-N 1 0 278.327 1.633 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000841718751 789185910 /nfs/dbraw/zinc/18/59/10/789185910.db2.gz ASJAQGXAPVUEIQ-ZDUSSCGKSA-N 1 0 292.427 1.927 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(F)cc1[O-] ZINC000796695555 789372127 /nfs/dbraw/zinc/37/21/27/789372127.db2.gz QDWMOGLHBMWWDF-AAEUAGOBSA-N 1 0 269.316 1.987 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCN2CCCO)c1O ZINC000848915339 789579168 /nfs/dbraw/zinc/57/91/68/789579168.db2.gz GIMATVGJBIRYMI-INIZCTEOSA-N 1 0 292.423 1.891 20 10 CDCDRO COC[C@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843484861 789720724 /nfs/dbraw/zinc/72/07/24/789720724.db2.gz FAFCKMFEPSBWKY-HNNXBMFYSA-N 1 0 293.411 1.463 20 10 CDCDRO CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC000834646325 789839246 /nfs/dbraw/zinc/83/92/46/789839246.db2.gz CLIBLNRAESCSNU-OCCSQVGLSA-N 1 0 261.369 1.397 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(O)c1 ZINC000876782207 789839857 /nfs/dbraw/zinc/83/98/57/789839857.db2.gz UUZSTWCEKQDAPV-GFCCVEGCSA-N 1 0 262.353 1.788 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)N(C)C)CC2)c1 ZINC000858238070 789843108 /nfs/dbraw/zinc/84/31/08/789843108.db2.gz TUJPJBFTZZTMEA-UHFFFAOYSA-N 1 0 291.395 1.936 20 10 CDCDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604131658 1167851310 /nfs/dbraw/zinc/85/13/10/1167851310.db2.gz BJOVOMYTAGULDJ-NXEZZACHSA-N 1 0 266.341 1.868 20 10 CDCDRO COc1cccc(C[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000304059971 895464466 /nfs/dbraw/zinc/46/44/66/895464466.db2.gz 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CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC001140851116 936764513 /nfs/dbraw/zinc/76/45/13/936764513.db2.gz CGGXZEABJLIYKH-UHFFFAOYSA-N 1 0 291.395 1.560 20 10 CDCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140954106 936783864 /nfs/dbraw/zinc/78/38/64/936783864.db2.gz LUIUMRFBBZHJJI-CQSZACIVSA-N 1 0 292.379 1.428 20 10 CDCDRO C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)CC[N@@H+]1C ZINC001141144291 936819706 /nfs/dbraw/zinc/81/97/06/936819706.db2.gz YQTGFEVMFREHJC-CYBMUJFWSA-N 1 0 275.396 1.651 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156125 936821299 /nfs/dbraw/zinc/82/12/99/936821299.db2.gz QTZSFUGNWOBWRV-SNVBAGLBSA-N 1 0 265.309 1.483 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156759 936821655 /nfs/dbraw/zinc/82/16/55/936821655.db2.gz UEXSEKBHZNBLHC-GWCFXTLKSA-N 1 0 251.326 1.691 20 10 CDCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141158858 936821994 /nfs/dbraw/zinc/82/19/94/936821994.db2.gz PFIMXMDSJOWMNE-NHAGDIPZSA-N 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HAAIMPWDSVFNCL-CYBMUJFWSA-N 1 0 292.379 1.890 20 10 CDCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1COC[C@H]1O ZINC000691487736 929063346 /nfs/dbraw/zinc/06/33/46/929063346.db2.gz IBFFGLBZNRLWJF-GXSJLCMTSA-N 1 0 288.141 1.004 20 10 CDCDRO CC(C)[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037631 937413070 /nfs/dbraw/zinc/41/30/70/937413070.db2.gz RPKOTGJCEQTVBP-UHFFFAOYSA-N 1 0 277.328 1.577 20 10 CDCDRO COCCNCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817964471 930646214 /nfs/dbraw/zinc/64/62/14/930646214.db2.gz DVXUNRRJAUCTSY-JQWIXIFHSA-N 1 0 282.359 1.905 20 10 CDCDRO C[NH+](C)CCCCC(=O)NCc1cc(O)ccc1O ZINC001153885871 937481046 /nfs/dbraw/zinc/48/10/46/937481046.db2.gz QNLCFQUYUFOATO-UHFFFAOYSA-N 1 0 266.341 1.446 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@@H]1O ZINC001144500082 931858831 /nfs/dbraw/zinc/85/88/31/931858831.db2.gz OMWOFWDPKXMBNY-SKDRFNHKSA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001144520194 931871566 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ZINC000802660597 936055929 /nfs/dbraw/zinc/05/59/29/936055929.db2.gz QSULHISYQIVFKV-AWEZNQCLSA-N 1 0 253.317 1.915 20 10 CDCDRO CN(C)c1cc[nH+]c(NCCc2cc(O)c(O)cc2O)c1 ZINC001157245665 938468944 /nfs/dbraw/zinc/46/89/44/938468944.db2.gz HELZPQROTITHKG-UHFFFAOYSA-N 1 0 289.335 1.919 20 10 CDCDRO COCC(=O)N[C@H](C)c1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC001164286552 939447085 /nfs/dbraw/zinc/44/70/85/939447085.db2.gz RPCIXTRHWYIAMS-YPMHNXCESA-N 1 0 277.368 1.048 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1O ZINC001203584393 939694443 /nfs/dbraw/zinc/69/44/43/939694443.db2.gz AHOUARMGDNTWJD-JQWIXIFHSA-N 1 0 251.326 1.604 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001203602412 939695734 /nfs/dbraw/zinc/69/57/34/939695734.db2.gz VKPXYWGMBILLJB-RYUDHWBXSA-N 1 0 269.316 1.696 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001203602252 939696208 /nfs/dbraw/zinc/69/62/08/939696208.db2.gz LOKPSPZXWBZDBU-AAEUAGOBSA-N 1 0 283.343 1.943 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001203615661 939696500 /nfs/dbraw/zinc/69/65/00/939696500.db2.gz VOMQPYMZVDAULE-STQMWFEESA-N 1 0 262.353 1.679 20 10 CDCDRO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c(O)c1 ZINC001203628648 939698007 /nfs/dbraw/zinc/69/80/07/939698007.db2.gz FKUMXLKYVFPHOZ-TXEJJXNPSA-N 1 0 261.321 1.812 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c(O)c1 ZINC001203635196 939698978 /nfs/dbraw/zinc/69/89/78/939698978.db2.gz OGJVAZCXMDHGAV-UHFFFAOYSA-N 1 0 290.363 1.645 20 10 CDCDRO Oc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1O ZINC001203874458 939710271 /nfs/dbraw/zinc/71/02/71/939710271.db2.gz YUKORLLPGLXUCC-CYBMUJFWSA-N 1 0 278.352 1.004 20 10 CDCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203881339 939711409 /nfs/dbraw/zinc/71/14/09/939711409.db2.gz PEMJRNDISMXCNF-CYBMUJFWSA-N 1 0 262.353 1.766 20 10 CDCDRO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)c1 ZINC001204277326 939751140 /nfs/dbraw/zinc/75/11/40/939751140.db2.gz ZMPKXOREMKVUST-NWDGAFQWSA-N 1 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O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188729192 357931331 /nfs/dbraw/zinc/93/13/31/357931331.db2.gz GQFMULSIVGYONJ-DZGCQCFKSA-N 1 0 291.370 1.603 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000293980219 358541565 /nfs/dbraw/zinc/54/15/65/358541565.db2.gz RGDKJTDCMFIMTB-CYBMUJFWSA-N 1 0 297.420 1.957 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1O ZINC000297346150 200157003 /nfs/dbraw/zinc/15/70/03/200157003.db2.gz OUQLXCZNWANRJB-UONOGXRCSA-N 1 0 278.396 1.890 20 10 CDCDRO OC[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)O1 ZINC000297470271 200202552 /nfs/dbraw/zinc/20/25/52/200202552.db2.gz YOAWKDMTSVSXOI-AGIUHOORSA-N 1 0 263.337 1.509 20 10 CDCDRO NC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000092754112 360284188 /nfs/dbraw/zinc/28/41/88/360284188.db2.gz DYDJABWXTSLMQE-UHFFFAOYSA-N 1 0 283.759 1.632 20 10 CDCDRO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)N1CCOCC1 ZINC000167685865 364944250 /nfs/dbraw/zinc/94/42/50/364944250.db2.gz COKJNBDZOAWSER-STQMWFEESA-N 1 0 291.395 1.037 20 10 CDCDRO CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000171937068 365433377 /nfs/dbraw/zinc/43/33/77/365433377.db2.gz TVKRLTJQHSEFIG-NSHDSACASA-N 1 0 250.342 1.739 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000273460906 365498263 /nfs/dbraw/zinc/49/82/63/365498263.db2.gz CQWVZAXEUSOEDU-MEBBXXQBSA-N 1 0 291.351 1.519 20 10 CDCDRO CO[C@@H](C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000263791897 370861877 /nfs/dbraw/zinc/86/18/77/370861877.db2.gz HTXNVTZOIFDXFM-VIFPVBQESA-N 1 0 253.298 1.636 20 10 CDCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCNC1=O ZINC000281733287 367679270 /nfs/dbraw/zinc/67/92/70/367679270.db2.gz JJOSHEJGJUKPHR-LLVKDONJSA-N 1 0 298.770 1.765 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC)CCOCCO)c1 ZINC000282778310 368034937 /nfs/dbraw/zinc/03/49/37/368034937.db2.gz QBXDLMRILDWSLC-UHFFFAOYSA-N 1 0 283.368 1.622 20 10 CDCDRO NC(=O)CC1C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000297388061 371987635 /nfs/dbraw/zinc/98/76/35/371987635.db2.gz KIRODTXYVZVAFM-UHFFFAOYSA-N 1 0 272.707 1.492 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000093050970 390899335 /nfs/dbraw/zinc/89/93/35/390899335.db2.gz OJTCXLPVUJNWPB-UHFFFAOYSA-N 1 0 276.384 1.385 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000373143296 391107633 /nfs/dbraw/zinc/10/76/33/391107633.db2.gz WSJIKSSHOUMUGV-ZFWWWQNUSA-N 1 0 281.327 1.959 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000373737047 391129215 /nfs/dbraw/zinc/12/92/15/391129215.db2.gz FOQAKHQTPPZLJT-BPUTZDHNSA-N 1 0 287.407 1.838 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000229522743 391131647 /nfs/dbraw/zinc/13/16/47/391131647.db2.gz LJVRDWILGZLSOL-UHFFFAOYSA-N 1 0 250.342 1.572 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c(O)c1O ZINC000179531182 391209056 /nfs/dbraw/zinc/20/90/56/391209056.db2.gz HRCQJTGAVACQKE-NWDGAFQWSA-N 1 0 290.363 1.715 20 10 CDCDRO COCCOC[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179581578 391212524 /nfs/dbraw/zinc/21/25/24/391212524.db2.gz KYKXWYDOUNANRO-CYBMUJFWSA-N 1 0 265.353 1.877 20 10 CDCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183485262 391265321 /nfs/dbraw/zinc/26/53/21/391265321.db2.gz WQHAMXDVZWAACU-PWSUYJOCSA-N 1 0 272.352 1.958 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](O)C2)cc1OC ZINC000183469399 391265711 /nfs/dbraw/zinc/26/57/11/391265711.db2.gz PTGGTPSRYRHFEK-NSHDSACASA-N 1 0 267.325 1.366 20 10 CDCDRO C[C@H]([NH3+])CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000193306325 391336181 /nfs/dbraw/zinc/33/61/81/391336181.db2.gz FRVQGPBKYNXJGA-LBPRGKRZSA-N 1 0 275.396 1.813 20 10 CDCDRO CC[NH+](CC)CCNC(=O)Nc1ccc(N)cc1 ZINC000035407571 172178475 /nfs/dbraw/zinc/17/84/75/172178475.db2.gz UFRGTBKFGYLBGZ-UHFFFAOYSA-N 1 0 250.346 1.732 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000172070447 261069503 /nfs/dbraw/zinc/06/95/03/261069503.db2.gz MSMDMWXBUZLRDD-OAHLLOKOSA-N 1 0 266.385 1.630 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000186177485 262082620 /nfs/dbraw/zinc/08/26/20/262082620.db2.gz QZFPMJNHPZFZAQ-TVQRCGJNSA-N 1 0 271.744 1.848 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000364514586 262253466 /nfs/dbraw/zinc/25/34/66/262253466.db2.gz YDXKWVHEUBJEMT-ZDUSSCGKSA-N 1 0 258.325 1.739 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000369828613 267271346 /nfs/dbraw/zinc/27/13/46/267271346.db2.gz BJLOHLULQUXQKI-GFCCVEGCSA-N 1 0 273.336 1.771 20 10 CDCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccccc1O ZINC000289188863 274387587 /nfs/dbraw/zinc/38/75/87/274387587.db2.gz ASOJEGYAZSTOGB-UKRRQHHQSA-N 1 0 276.380 1.687 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296243935 276304477 /nfs/dbraw/zinc/30/44/77/276304477.db2.gz AXIHOWWINNCHOU-CMPLNLGQSA-N 1 0 262.353 1.836 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@H](CC)CO)c1O ZINC000295148174 276379460 /nfs/dbraw/zinc/37/94/60/276379460.db2.gz QTHOVJUIJZNAKD-GFCCVEGCSA-N 1 0 253.342 1.994 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000185802678 327845476 /nfs/dbraw/zinc/84/54/76/327845476.db2.gz UKXKOQKHHKBLMQ-MNOVXSKESA-N 1 0 278.352 1.700 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000227604717 333286716 /nfs/dbraw/zinc/28/67/16/333286716.db2.gz CIOKQENHUGYCAF-UHFFFAOYSA-N 1 0 264.369 1.865 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000273739669 334769621 /nfs/dbraw/zinc/76/96/21/334769621.db2.gz LQRMWEOMFYVHIM-SNVBAGLBSA-N 1 0 284.743 1.375 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1 ZINC000694587997 1159486723 /nfs/dbraw/zinc/48/67/23/1159486723.db2.gz FUFXVPZFIDHDMQ-OAHLLOKOSA-N 1 0 296.436 1.810 20 10 CDCDRO COc1cccc(C[NH2+]CCCCS(C)(=O)=O)c1O ZINC000692846370 1159708025 /nfs/dbraw/zinc/70/80/25/1159708025.db2.gz QEZXPWLNSCTIOO-UHFFFAOYSA-N 1 0 287.381 1.315 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000049398305 519610428 /nfs/dbraw/zinc/61/04/28/519610428.db2.gz XAIDIKCDDIMJHA-UHFFFAOYSA-N 1 0 263.385 1.709 20 10 CDCDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000289972059 519628030 /nfs/dbraw/zinc/62/80/30/519628030.db2.gz YYTUAZQITGHMGV-LLVKDONJSA-N 1 0 280.368 1.939 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)C(=O)NC)c1 ZINC000093899573 521139877 /nfs/dbraw/zinc/13/98/77/521139877.db2.gz KKMRJIFNSWQIMJ-LLVKDONJSA-N 1 0 280.368 1.605 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1F ZINC000280122711 522185808 /nfs/dbraw/zinc/18/58/08/522185808.db2.gz BTSXLPMHMPSCHF-HNNXBMFYSA-N 1 0 279.359 1.589 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000040825786 522201871 /nfs/dbraw/zinc/20/18/71/522201871.db2.gz XQQLAEAIAXZKBE-CQSZACIVSA-N 1 0 261.369 1.511 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC(=O)NCC(F)F)cc1F ZINC000280280379 522205770 /nfs/dbraw/zinc/20/57/70/522205770.db2.gz LPWOBDYGJONZAW-UHFFFAOYSA-N 1 0 289.301 1.363 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000234876513 522304564 /nfs/dbraw/zinc/30/45/64/522304564.db2.gz WGZWVZVAKOLAQQ-OAHLLOKOSA-N 1 0 278.396 1.774 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@H]1CCCO1 ZINC000279386540 522363813 /nfs/dbraw/zinc/36/38/13/522363813.db2.gz JVKSHXKHLAFBAH-ZIAGYGMSSA-N 1 0 265.353 1.984 20 10 CDCDRO C[N@H+](CCCCCO)Cc1cc2c(cc1O)OCO2 ZINC000279481951 522732466 /nfs/dbraw/zinc/73/24/66/522732466.db2.gz UBFUKNPGIVSAKU-UHFFFAOYSA-N 1 0 267.325 1.715 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@]3(C)CC[NH2+]C3)ccc21 ZINC000237129233 523861713 /nfs/dbraw/zinc/86/17/13/523861713.db2.gz FKLAURIQTFJZJM-QGZVFWFLSA-N 1 0 287.407 1.685 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000266170753 523874649 /nfs/dbraw/zinc/87/46/49/523874649.db2.gz CGSNYYPELISJCY-HNNXBMFYSA-N 1 0 278.396 1.819 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000273086875 524091205 /nfs/dbraw/zinc/09/12/05/524091205.db2.gz YXNRRQHDGXKHDN-CQSZACIVSA-N 1 0 298.390 1.828 20 10 CDCDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268875615 524566005 /nfs/dbraw/zinc/56/60/05/524566005.db2.gz WNRURIFTJHBXAQ-VXGBXAGGSA-N 1 0 282.359 1.694 20 10 CDCDRO Cc1cc(C[N@H+](C)CCN2CCOCC2)ccc1N(C)C ZINC000293221234 524663439 /nfs/dbraw/zinc/66/34/39/524663439.db2.gz VOGYODPSRMWCHX-UHFFFAOYSA-N 1 0 291.439 1.825 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000292701085 524745565 /nfs/dbraw/zinc/74/55/65/524745565.db2.gz CHWIMPOIRNRVCS-LLVKDONJSA-N 1 0 299.392 1.267 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280294788 524747433 /nfs/dbraw/zinc/74/74/33/524747433.db2.gz OLOZOUYXZVGMMY-WBMJQRKESA-N 1 0 293.363 1.781 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(O)CCCC2)c1 ZINC000087015688 524749416 /nfs/dbraw/zinc/74/94/16/524749416.db2.gz ZYICEEAMQAWDEX-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1 ZINC000279833237 524753989 /nfs/dbraw/zinc/75/39/89/524753989.db2.gz QLTXQNKDKXHMKW-ZDUSSCGKSA-N 1 0 292.379 1.749 20 10 CDCDRO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000237565012 525243733 /nfs/dbraw/zinc/24/37/33/525243733.db2.gz LKHKLZSRCSCJRB-DOMZBBRYSA-N 1 0 275.396 1.752 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCCn2cc(CO)nn2)cc1C ZINC000289436917 525322040 /nfs/dbraw/zinc/32/20/40/525322040.db2.gz AHMVVNXOJKVYBL-UHFFFAOYSA-N 1 0 290.367 1.273 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)Cc2cnccn2)c(O)c1 ZINC000725849636 574444667 /nfs/dbraw/zinc/44/46/67/574444667.db2.gz SOFCJBLHAKAAGD-NSHDSACASA-N 1 0 273.336 1.912 20 10 CDCDRO CCC[N@H+](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000730285567 574909984 /nfs/dbraw/zinc/90/99/84/574909984.db2.gz XTENLWWQYDAFPV-LLVKDONJSA-N 1 0 280.368 1.920 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000732258839 575084525 /nfs/dbraw/zinc/08/45/25/575084525.db2.gz YFCDXZMPBPMIDO-UHFFFAOYSA-N 1 0 289.360 1.811 20 10 CDCDRO COc1cccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1O ZINC000769507246 575353585 /nfs/dbraw/zinc/35/35/85/575353585.db2.gz BEGUJVRWRDVEOZ-RYUDHWBXSA-N 1 0 292.379 1.890 20 10 CDCDRO CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000771765628 575609261 /nfs/dbraw/zinc/60/92/61/575609261.db2.gz CMKLXXSKKLWXIT-MEBBXXQBSA-N 1 0 297.351 1.366 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNCc3ccon3)cc2)CC1 ZINC000771845220 575626242 /nfs/dbraw/zinc/62/62/42/575626242.db2.gz ZXEVLUMGVHCMPP-UHFFFAOYSA-N 1 0 286.379 1.716 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000766465597 576104636 /nfs/dbraw/zinc/10/46/36/576104636.db2.gz ALGXEFAFLKWYFW-MRXNPFEDSA-N 1 0 292.379 1.564 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)(C)O1 ZINC000768441530 576283607 /nfs/dbraw/zinc/28/36/07/576283607.db2.gz DBSYLOXVBRPXTE-YGRLFVJLSA-N 1 0 293.363 1.817 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)O1 ZINC000768447274 576284012 /nfs/dbraw/zinc/28/40/12/576284012.db2.gz NXTBZXSBJWEKSM-NVBFEUDRSA-N 1 0 293.363 1.817 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000768448884 576284890 /nfs/dbraw/zinc/28/48/90/576284890.db2.gz YBCNJPLIOFDOBU-YGRLFVJLSA-N 1 0 279.336 1.429 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CC2(CO)COC2)cc1 ZINC000756785108 577004253 /nfs/dbraw/zinc/00/42/53/577004253.db2.gz ZEXJXZZRTYXEPS-UHFFFAOYSA-N 1 0 292.423 1.974 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H](C)C[NH3+])c1ccccc1O ZINC000892043602 617437017 /nfs/dbraw/zinc/43/70/17/617437017.db2.gz DOMSKTPLNAUXSJ-VHSXEESVSA-N 1 0 251.330 1.347 20 10 CDCDRO [NH3+]C1(CNC(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000892052659 617445677 /nfs/dbraw/zinc/44/56/77/617445677.db2.gz DTIMVSPBYOZMCT-UHFFFAOYSA-N 1 0 261.325 1.299 20 10 CDCDRO O=C(NCC1=CC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC000892067320 617458545 /nfs/dbraw/zinc/45/85/45/617458545.db2.gz RTROOBVCHNKASA-UHFFFAOYSA-N 1 0 273.336 1.337 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1OC ZINC000892186547 617537632 /nfs/dbraw/zinc/53/76/32/617537632.db2.gz XYDKZEXTDDGICP-CQSZACIVSA-N 1 0 267.325 1.366 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000841653115 617538542 /nfs/dbraw/zinc/53/85/42/617538542.db2.gz HIQSXWFSFCDQPI-AWEZNQCLSA-N 1 0 276.384 1.289 20 10 CDCDRO C/C=C\C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893607138 617655973 /nfs/dbraw/zinc/65/59/73/617655973.db2.gz DEEONHJNFRHFSD-ARJAWSKDSA-N 1 0 273.380 1.631 20 10 CDCDRO COc1ccc(C[NH2+]C2CCN(C)CC2)c(O)c1OC ZINC000892454426 618220247 /nfs/dbraw/zinc/22/02/47/618220247.db2.gz NSQOSEBQZICGPF-UHFFFAOYSA-N 1 0 280.368 1.593 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000894255818 618288867 /nfs/dbraw/zinc/28/88/67/618288867.db2.gz JPUGBJIAEMWOHU-AWEZNQCLSA-N 1 0 293.411 1.045 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1C ZINC000818234388 618503110 /nfs/dbraw/zinc/50/31/10/618503110.db2.gz ZDKUHLJIDMYQEX-GFCCVEGCSA-N 1 0 276.336 1.246 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2CCN(C)CC2)c1O ZINC000894152164 618631275 /nfs/dbraw/zinc/63/12/75/618631275.db2.gz HLMHPZNMVSSXLG-UHFFFAOYSA-N 1 0 264.369 1.893 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1ccc(N2CCOCC2)cc1 ZINC000841064430 618679579 /nfs/dbraw/zinc/67/95/79/618679579.db2.gz BEWBZPFFQMDDGB-CQSZACIVSA-N 1 0 277.412 1.611 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1cc(OC)c(OC)cc1O ZINC000841066814 618680009 /nfs/dbraw/zinc/68/00/09/618680009.db2.gz WRJKUEKWHLBXCH-SNVBAGLBSA-N 1 0 268.357 1.497 20 10 CDCDRO COC[C@]1(CNCc2ccccc2O)CCC[NH2+]1 ZINC000841067917 618680988 /nfs/dbraw/zinc/68/09/88/618680988.db2.gz QOJZIFJOYXMYAY-CQSZACIVSA-N 1 0 250.342 1.250 20 10 CDCDRO CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841070204 618681764 /nfs/dbraw/zinc/68/17/64/618681764.db2.gz MLFAKESPANJRHQ-SECBINFHSA-N 1 0 273.174 1.982 20 10 CDCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(OC)ccc1O ZINC000843057294 618691400 /nfs/dbraw/zinc/69/14/00/618691400.db2.gz ACIUHPMKPKIARX-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)Cn2cncn2)c1O ZINC000894204665 618698408 /nfs/dbraw/zinc/69/84/08/618698408.db2.gz RKIUZOCCASOHRF-LLVKDONJSA-N 1 0 276.340 1.479 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC000894686912 619017421 /nfs/dbraw/zinc/01/74/21/619017421.db2.gz YEAUCPYSBBIKRM-AWEZNQCLSA-N 1 0 269.316 1.616 20 10 CDCDRO COCC(COC)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894905089 619136803 /nfs/dbraw/zinc/13/68/03/619136803.db2.gz NPIOZHLRCRXJCQ-UHFFFAOYSA-N 1 0 269.341 1.460 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000895750358 619826692 /nfs/dbraw/zinc/82/66/92/619826692.db2.gz ZSXAGSFWIUGRDI-LSDHHAIUSA-N 1 0 279.380 1.974 20 10 CDCDRO CCOc1cccc(C[NH+]2CC(COC)C2)c1O ZINC000895971088 619929334 /nfs/dbraw/zinc/92/93/34/619929334.db2.gz KQTYNCPXQMINIC-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1C ZINC000902626240 625052337 /nfs/dbraw/zinc/05/23/37/625052337.db2.gz SHRMTNBIIRZNNW-GOEBONIOSA-N 1 0 277.364 1.999 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000157059197 630582247 /nfs/dbraw/zinc/58/22/47/630582247.db2.gz QDBOHDACQMQRDL-CYBMUJFWSA-N 1 0 283.393 1.791 20 10 CDCDRO C[C@H](NCc1ccc2c(c1)CCCO2)c1nncn1C ZINC000921685958 633174254 /nfs/dbraw/zinc/17/42/54/633174254.db2.gz ZOLZSHNILINUJC-NSHDSACASA-N 1 0 272.352 1.991 20 10 CDCDRO COC[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)CC[NH2+]1 ZINC001210051772 1158557404 /nfs/dbraw/zinc/55/74/04/1158557404.db2.gz TVHSLABFOFPDRP-CYBMUJFWSA-N 1 0 297.830 1.826 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000234834920 1158488942 /nfs/dbraw/zinc/48/89/42/1158488942.db2.gz WRWNBUZOGIMEPI-GRYCIOLGSA-N 1 0 265.353 1.846 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC2(O)CCOCC2)c1 ZINC000809694325 1163065357 /nfs/dbraw/zinc/06/53/57/1163065357.db2.gz OKMQSVXZESADLC-UHFFFAOYSA-N 1 0 281.352 1.422 20 10 CDCDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272386875 1161083694 /nfs/dbraw/zinc/08/36/94/1161083694.db2.gz PELMNUGXLCZGIB-HNNXBMFYSA-N 1 0 276.336 1.295 20 10 CDCDRO CN(C)c1ccc(/C=C/CNC[C@]2(O)CC[NH2+]C2)cc1 ZINC001578425863 1171905346 /nfs/dbraw/zinc/90/53/46/1171905346.db2.gz PPCYEJATVQIHQD-QDLOVBKTSA-N 1 0 275.396 1.080 20 10 CDCDRO Cc1cc(N2Cc3cccc(O)c3C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592013515 1173775085 /nfs/dbraw/zinc/77/50/85/1173775085.db2.gz SLUHKFJUUUTSOK-UHFFFAOYSA-N 1 0 294.318 1.796 20 10 CDCDRO COC1(CO)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000402916953 1186458512 /nfs/dbraw/zinc/45/85/12/1186458512.db2.gz YLGVRNQLMVVLTR-UHFFFAOYSA-N 1 0 250.342 1.242 20 10 CDCDRO COC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000227706473 790273180 /nfs/dbraw/zinc/27/31/80/790273180.db2.gz ZYBPEYKTAYMQAC-INIZCTEOSA-N 1 0 294.395 1.274 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[NH+](C)C)cc1 ZINC000193102386 790274349 /nfs/dbraw/zinc/27/43/49/790274349.db2.gz YYHPPUGOFBNPII-UHFFFAOYSA-N 1 0 264.373 1.113 20 10 CDCDRO COc1ccc(N2CC[NH+](CC[C@H](C)O)CC2)c(OC)c1 ZINC000879462806 790302544 /nfs/dbraw/zinc/30/25/44/790302544.db2.gz XQLLJJIUUFQMSI-ZDUSSCGKSA-N 1 0 294.395 1.597 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000702575087 790315699 /nfs/dbraw/zinc/31/56/99/790315699.db2.gz VWCYAEMCJLBLRY-ABAIWWIYSA-N 1 0 280.368 1.118 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cc(F)cc(F)c1[O-] ZINC000708382059 790324043 /nfs/dbraw/zinc/32/40/43/790324043.db2.gz DQJXBLCOQVPHCF-UHFFFAOYSA-N 1 0 258.268 1.368 20 10 CDCDRO Cc1cccc(C[N@H+](C)C[C@H]2COCCO2)c1O ZINC000827140597 790355588 /nfs/dbraw/zinc/35/55/88/790355588.db2.gz LYODELCCRDBGAL-ZDUSSCGKSA-N 1 0 251.326 1.548 20 10 CDCDRO C[NH+](C)CC(C)(C)CNC(=O)Cc1ccc(N)cc1 ZINC000019391774 790357882 /nfs/dbraw/zinc/35/78/82/790357882.db2.gz TWCIFOXAHLKSBU-UHFFFAOYSA-N 1 0 263.385 1.515 20 10 CDCDRO COCCOCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840930626 790571800 /nfs/dbraw/zinc/57/18/00/790571800.db2.gz NCMREZRHAVOISO-UHFFFAOYSA-N 1 0 266.385 1.814 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000775984958 790656612 /nfs/dbraw/zinc/65/66/12/790656612.db2.gz IRJOZIJPJKFARO-NEPJUHHUSA-N 1 0 264.369 1.925 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000704348256 790810246 /nfs/dbraw/zinc/81/02/46/790810246.db2.gz BGTCATXRKNFKPU-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO C[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC(=O)N1 ZINC000834907710 790831061 /nfs/dbraw/zinc/83/10/61/790831061.db2.gz AJOLTMVIWJCHJA-NHYWBVRUSA-N 1 0 260.337 1.638 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000922227026 790870579 /nfs/dbraw/zinc/87/05/79/790870579.db2.gz SMBWTFGUGRUUNK-AWEZNQCLSA-N 1 0 298.390 1.787 20 10 CDCDRO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1 ZINC000779542071 790883594 /nfs/dbraw/zinc/88/35/94/790883594.db2.gz JDRXFVZUCRQNGT-FNORWQNLSA-N 1 0 290.363 1.664 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H](O)COCC2CC2)c(O)c1 ZINC000877000562 791042354 /nfs/dbraw/zinc/04/23/54/791042354.db2.gz RLAPERGDXWCAIP-CQSZACIVSA-N 1 0 265.353 1.578 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc1 ZINC000827459103 791090009 /nfs/dbraw/zinc/09/00/09/791090009.db2.gz UDHGHBXMMQVANM-CABCVRRESA-N 1 0 289.379 1.081 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000300436969 789852086 /nfs/dbraw/zinc/85/20/86/789852086.db2.gz QYIRWYJQIRVONL-LBPRGKRZSA-N 1 0 252.289 1.242 20 10 CDCDRO CCOc1ccc(C[NH2+]CC(C)(C)OCCO)c(O)c1 ZINC000808438027 789887086 /nfs/dbraw/zinc/88/70/86/789887086.db2.gz PPJUGJWLPIIWNS-UHFFFAOYSA-N 1 0 283.368 1.668 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O ZINC000848914707 789906859 /nfs/dbraw/zinc/90/68/59/789906859.db2.gz MPGKPCHOYRUMCI-KBPBESRZSA-N 1 0 290.363 1.044 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1F ZINC000835060119 789936030 /nfs/dbraw/zinc/93/60/30/789936030.db2.gz JDCRROMCRCWENC-HNNXBMFYSA-N 1 0 279.359 1.650 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000122844256 789943997 /nfs/dbraw/zinc/94/39/97/789943997.db2.gz YAJWQQHLLKIKMC-SNVBAGLBSA-N 1 0 267.300 1.548 20 10 CDCDRO CC[NH2+]CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841934899 789960178 /nfs/dbraw/zinc/96/01/78/789960178.db2.gz NAPVZCSPFSGWDG-JTQLQIEISA-N 1 0 281.356 1.371 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1O ZINC000883375834 789980599 /nfs/dbraw/zinc/98/05/99/789980599.db2.gz ZZIXLRPQOZMMDB-DCAQKATOSA-N 1 0 299.392 1.627 20 10 CDCDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850577866 789990115 /nfs/dbraw/zinc/99/01/15/789990115.db2.gz DTRYDYYKFZMENX-MRVWCRGKSA-N 1 0 294.370 1.836 20 10 CDCDRO CN(C)c1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)cc1 ZINC000881271993 790034569 /nfs/dbraw/zinc/03/45/69/790034569.db2.gz IOXXCLIBGBNZQU-CQSZACIVSA-N 1 0 285.395 1.544 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179691316 790042753 /nfs/dbraw/zinc/04/27/53/790042753.db2.gz DFXWYZOQVBVOLK-AWEZNQCLSA-N 1 0 262.353 1.801 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000829528064 790048753 /nfs/dbraw/zinc/04/87/53/790048753.db2.gz KAOHPPWJYGOKNK-MFKMUULPSA-N 1 0 297.449 1.741 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCOC2)c1O ZINC000037738173 790092173 /nfs/dbraw/zinc/09/21/73/790092173.db2.gz RBPNNCJLYQYVKK-NSHDSACASA-N 1 0 251.326 1.917 20 10 CDCDRO CC[NH2+]CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000843488997 790171883 /nfs/dbraw/zinc/17/18/83/790171883.db2.gz AHWQVFXYGAPOHD-SECBINFHSA-N 1 0 252.314 1.188 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)cc1F ZINC000884204786 791156618 /nfs/dbraw/zinc/15/66/18/791156618.db2.gz FBPYOPOIUPTIPB-GFCCVEGCSA-N 1 0 293.386 1.754 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]CC2CC2)cc1 ZINC000037801184 791263016 /nfs/dbraw/zinc/26/30/16/791263016.db2.gz NDEJEQWBHYEBMG-UHFFFAOYSA-N 1 0 275.396 1.711 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1OC ZINC000271819422 791290674 /nfs/dbraw/zinc/29/06/74/791290674.db2.gz MQCNPVDLQXOSED-WZRBSPASSA-N 1 0 279.336 1.819 20 10 CDCDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)no1 ZINC000879649694 791319535 /nfs/dbraw/zinc/31/95/35/791319535.db2.gz SSYWEAADMDXLRK-SNVBAGLBSA-N 1 0 275.308 1.978 20 10 CDCDRO Oc1cc(Br)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC000824547943 791347660 /nfs/dbraw/zinc/34/76/60/791347660.db2.gz FHAGSOIQAJYLQM-SNVBAGLBSA-N 1 0 272.142 1.721 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000841828591 791358804 /nfs/dbraw/zinc/35/88/04/791358804.db2.gz WHRVPVCFCWUPEF-HNNXBMFYSA-N 1 0 290.411 1.598 20 10 CDCDRO CC[C@H](CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000123847725 791435894 /nfs/dbraw/zinc/43/58/94/791435894.db2.gz MFULTZGXYNHDKL-SNVBAGLBSA-N 1 0 253.298 1.372 20 10 CDCDRO CC[C@@H](C)NC(=[NH2+])NCc1cc(OC)ccc1O ZINC000849009074 791662974 /nfs/dbraw/zinc/66/29/74/791662974.db2.gz YYTFICQBDVTJNL-SECBINFHSA-N 1 0 251.330 1.813 20 10 CDCDRO C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC000821806709 791753565 /nfs/dbraw/zinc/75/35/65/791753565.db2.gz GGOWRNJUIQJFFP-VHSXEESVSA-N 1 0 266.341 1.095 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(F)ccc1O ZINC000094617263 791814071 /nfs/dbraw/zinc/81/40/71/791814071.db2.gz NPTJOIUWQJREFA-CABZTGNLSA-N 1 0 266.316 1.851 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000069912206 791856579 /nfs/dbraw/zinc/85/65/79/791856579.db2.gz OYEKGOFFERAOIY-LBPRGKRZSA-N 1 0 259.733 1.533 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC3(C2)CCOC3)cc1OC ZINC000816670195 791863851 /nfs/dbraw/zinc/86/38/51/791863851.db2.gz OARYXWOCCGBNQM-UHFFFAOYSA-N 1 0 279.336 1.632 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000840921875 791888822 /nfs/dbraw/zinc/88/88/22/791888822.db2.gz HFUIFISPUOJARW-HNNXBMFYSA-N 1 0 288.395 1.270 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000841651841 791890288 /nfs/dbraw/zinc/89/02/88/791890288.db2.gz BHZCPYWJRMHTQB-OAHLLOKOSA-N 1 0 290.411 1.775 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000877029037 791921405 /nfs/dbraw/zinc/92/14/05/791921405.db2.gz OMEHRKRSBOBQJS-JTQLQIEISA-N 1 0 257.355 1.223 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@H]1O ZINC000840950086 791938749 /nfs/dbraw/zinc/93/87/49/791938749.db2.gz FDXKRJOZMLJKRS-HUUCEWRRSA-N 1 0 264.369 1.253 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000391527330 792016626 /nfs/dbraw/zinc/01/66/26/792016626.db2.gz FMYMCCZVBXXSIV-NWDGAFQWSA-N 1 0 260.337 1.590 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000011805353 792035983 /nfs/dbraw/zinc/03/59/83/792035983.db2.gz JCLIPRILAXBIRV-HNNXBMFYSA-N 1 0 291.395 1.327 20 10 CDCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)[C@H]1CN(C)CCO1 ZINC000129235051 792064041 /nfs/dbraw/zinc/06/40/41/792064041.db2.gz QTOJDDIYJIVVAU-IINYFYTJSA-N 1 0 284.787 1.854 20 10 CDCDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccccc1O ZINC000036794093 792099201 /nfs/dbraw/zinc/09/92/01/792099201.db2.gz MDGRUVQHHVTTLA-PWSUYJOCSA-N 1 0 250.342 1.910 20 10 CDCDRO CN1CCCc2cc(CNC(=O)NC(C)(C)C[NH3+])ccc21 ZINC000841760035 792123619 /nfs/dbraw/zinc/12/36/19/792123619.db2.gz RPPSMGAFNXRGQJ-UHFFFAOYSA-N 1 0 290.411 1.606 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000876690820 792192700 /nfs/dbraw/zinc/19/27/00/792192700.db2.gz SCFKCELLQPYNEB-INIZCTEOSA-N 1 0 290.407 1.868 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000092670194 792315605 /nfs/dbraw/zinc/31/56/05/792315605.db2.gz WUHSOFCEGQENIK-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000872141576 792351812 /nfs/dbraw/zinc/35/18/12/792351812.db2.gz ZBNSNFDHMSBWBF-MPKXVKKWSA-N 1 0 251.326 1.501 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)[C@@H](C)O ZINC000929753347 792553685 /nfs/dbraw/zinc/55/36/85/792553685.db2.gz NXBPINKQXZBPBB-BXUZGUMPSA-N 1 0 253.342 1.346 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843369345 792581658 /nfs/dbraw/zinc/58/16/58/792581658.db2.gz ZCRBNGXHBXGZGJ-INIZCTEOSA-N 1 0 292.354 1.919 20 10 CDCDRO CC[C@@]1(O)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000779217691 792587809 /nfs/dbraw/zinc/58/78/09/792587809.db2.gz UXUCSYMMQIADPV-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO CCn1ccnc1C[NH2+]Cc1cccc(OC)c1O ZINC000385176327 792701269 /nfs/dbraw/zinc/70/12/69/792701269.db2.gz GSOPZJHTWNTTEF-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779516744 792816037 /nfs/dbraw/zinc/81/60/37/792816037.db2.gz HJGNLMKFJGNYAK-SOFGYWHQSA-N 1 0 292.379 1.959 20 10 CDCDRO CCc1cccc(C[N@H+](C)CC(C)(CO)CO)c1O ZINC000848885893 792826217 /nfs/dbraw/zinc/82/62/17/792826217.db2.gz CBSPOJCVUAKPMB-UHFFFAOYSA-N 1 0 267.369 1.377 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccccc1O ZINC000710878897 792829469 /nfs/dbraw/zinc/82/94/69/792829469.db2.gz OFBVVFMKTFNWAU-YRGRVCCFSA-N 1 0 251.326 1.583 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000250112640 792893785 /nfs/dbraw/zinc/89/37/85/792893785.db2.gz TWCGFIQHSNTDKJ-SMDDNHRTSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c1O ZINC000846144511 792894083 /nfs/dbraw/zinc/89/40/83/792894083.db2.gz HIZQNLPZXRXDHC-QMTHXVAHSA-N 1 0 283.393 1.919 20 10 CDCDRO CCOc1cccc(C[NH2+]CCO[C@H]2CCOC2)c1O ZINC000922938581 792994119 /nfs/dbraw/zinc/99/41/19/792994119.db2.gz FVLPIEISDBXOPE-ZDUSSCGKSA-N 1 0 281.352 1.686 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CN(C)C)c(O)c1 ZINC000788593178 792996590 /nfs/dbraw/zinc/99/65/90/792996590.db2.gz FUDIBJIWDKGHQO-STQMWFEESA-N 1 0 266.385 1.582 20 10 CDCDRO CC[C@@H]([NH2+]CCC(=O)N(C)C)c1ccccc1O ZINC000037751597 793060271 /nfs/dbraw/zinc/06/02/71/793060271.db2.gz UFGHFNZHRQQEEV-GFCCVEGCSA-N 1 0 250.342 1.911 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266764 793093366 /nfs/dbraw/zinc/09/33/66/793093366.db2.gz BJCUXMSMLAKBHU-TZMCWYRMSA-N 1 0 294.370 1.617 20 10 CDCDRO CCOC(=O)CC1([NH2+]Cc2ccccc2O)CCOCC1 ZINC000827758184 793119961 /nfs/dbraw/zinc/11/99/61/793119961.db2.gz YUSISRFBXAMTSE-UHFFFAOYSA-N 1 0 293.363 1.984 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000839191620 793126949 /nfs/dbraw/zinc/12/69/49/793126949.db2.gz CADNPQJSBRLOQJ-GXTWGEPZSA-N 1 0 251.326 1.512 20 10 CDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000793586082 793135406 /nfs/dbraw/zinc/13/54/06/793135406.db2.gz FRPWFWKHTAXWKD-NWDGAFQWSA-N 1 0 298.814 1.933 20 10 CDCDRO C[C@H](C[NH2+]CCCSc1nccs1)S(C)(=O)=O ZINC000819062593 793151653 /nfs/dbraw/zinc/15/16/53/793151653.db2.gz GHQZDVBBICPLIE-SECBINFHSA-N 1 0 294.467 1.648 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955608 793216303 /nfs/dbraw/zinc/21/63/03/793216303.db2.gz HYNVIMLIVJIVJE-IUODEOHRSA-N 1 0 290.411 1.723 20 10 CDCDRO C[NH2+]CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817953456 793218211 /nfs/dbraw/zinc/21/82/11/793218211.db2.gz PANGARJQGCTGGV-GFCCVEGCSA-N 1 0 281.375 1.532 20 10 CDCDRO CCCN(CC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779516188 793292591 /nfs/dbraw/zinc/29/25/91/793292591.db2.gz VLCBZGSKKXZCBW-SOFGYWHQSA-N 1 0 292.379 1.911 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843433834 793353222 /nfs/dbraw/zinc/35/32/22/793353222.db2.gz DZSRJBXOVYCMKW-KGLIPLIRSA-N 1 0 293.363 1.365 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1 ZINC000036794392 793425360 /nfs/dbraw/zinc/42/53/60/793425360.db2.gz ABBNFGIPYQAQHJ-WDEREUQCSA-N 1 0 250.342 1.828 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000858547671 793527047 /nfs/dbraw/zinc/52/70/47/793527047.db2.gz IDKNLCPWCLOYET-NWDGAFQWSA-N 1 0 280.368 1.118 20 10 CDCDRO C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000836620878 793707027 /nfs/dbraw/zinc/70/70/27/793707027.db2.gz GKMJTICIAVNMJZ-ZDUSSCGKSA-N 1 0 292.427 1.844 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)CCF)c1O ZINC000846209683 793752752 /nfs/dbraw/zinc/75/27/52/793752752.db2.gz SCWTYNNNEKLWMK-NXEZZACHSA-N 1 0 257.305 1.772 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1O ZINC000848888557 793796751 /nfs/dbraw/zinc/79/67/51/793796751.db2.gz WRBPFBMZPCRJCY-ZDUSSCGKSA-N 1 0 276.336 1.591 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778188115 793810116 /nfs/dbraw/zinc/81/01/16/793810116.db2.gz RDYPRRKRXCAGJH-LLVKDONJSA-N 1 0 273.336 1.702 20 10 CDCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000391446839 793823524 /nfs/dbraw/zinc/82/35/24/793823524.db2.gz PMKHABFLJBCCBQ-UHFFFAOYSA-N 1 0 283.393 1.534 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000851900169 793830517 /nfs/dbraw/zinc/83/05/17/793830517.db2.gz QLRWOVWOBIGQRP-CHWSQXEVSA-N 1 0 296.411 1.753 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccc(O)c(O)c1)[C@@H]1CCSC1 ZINC000778927674 793830561 /nfs/dbraw/zinc/83/05/61/793830561.db2.gz SNUJMOHQWNEVMB-LLVKDONJSA-N 1 0 296.392 1.151 20 10 CDCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000829769296 793842243 /nfs/dbraw/zinc/84/22/43/793842243.db2.gz SCXWFLCAXBGFKM-HNNXBMFYSA-N 1 0 275.396 1.802 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)C(F)(F)F ZINC000865712218 793873960 /nfs/dbraw/zinc/87/39/60/793873960.db2.gz YBMXLDKPVOVWLL-KGFZYKRKSA-N 1 0 293.241 1.522 20 10 CDCDRO [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843048842 794005682 /nfs/dbraw/zinc/00/56/82/794005682.db2.gz ZXQLSMNKQHDLPZ-QMMMGPOBSA-N 1 0 285.731 1.734 20 10 CDCDRO CCOCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877145964 794010835 /nfs/dbraw/zinc/01/08/35/794010835.db2.gz MRODYLKDTCHIFQ-UHFFFAOYSA-N 1 0 278.396 1.774 20 10 CDCDRO C[C@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C[NH+](C)C ZINC000237658791 794130791 /nfs/dbraw/zinc/13/07/91/794130791.db2.gz SEMSCGHLMKYHTL-LBPRGKRZSA-N 1 0 277.412 1.904 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1C[NH2+]C1 ZINC000817898128 794311521 /nfs/dbraw/zinc/31/15/21/794311521.db2.gz DDLDFFXEZQEPIS-ZDUSSCGKSA-N 1 0 259.397 1.984 20 10 CDCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000841849266 794327604 /nfs/dbraw/zinc/32/76/04/794327604.db2.gz GBZXXNFOEFLILR-CQSZACIVSA-N 1 0 261.369 1.412 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832488 794330306 /nfs/dbraw/zinc/33/03/06/794330306.db2.gz OSKZSPAWCAESPW-LBPRGKRZSA-N 1 0 274.368 1.209 20 10 CDCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000180870024 794388995 /nfs/dbraw/zinc/38/89/95/794388995.db2.gz TWSIMHDGCLABGH-UWVGGRQHSA-N 1 0 265.309 1.324 20 10 CDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840957893 794489670 /nfs/dbraw/zinc/48/96/70/794489670.db2.gz LVJVVCZFKNASHT-JTQLQIEISA-N 1 0 282.771 1.956 20 10 CDCDRO Cc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(O)c1 ZINC000877095747 794556370 /nfs/dbraw/zinc/55/63/70/794556370.db2.gz SWHRHERBTIBDFL-UHFFFAOYSA-N 1 0 276.296 1.595 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@H](C)O)cc1Cn1cccn1 ZINC000873050311 794574808 /nfs/dbraw/zinc/57/48/08/794574808.db2.gz MTQVIYODLHTKDG-ZDUSSCGKSA-N 1 0 289.379 1.801 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(OC)c(OC)cc1O ZINC000843055566 794595812 /nfs/dbraw/zinc/59/58/12/794595812.db2.gz LTFISMLRDDXPPM-LBPRGKRZSA-N 1 0 280.368 1.593 20 10 CDCDRO C[C@@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000775837493 794795937 /nfs/dbraw/zinc/79/59/37/794795937.db2.gz TVLLUDNOBFBWMI-LLVKDONJSA-N 1 0 292.383 1.378 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000724889855 794855140 /nfs/dbraw/zinc/85/51/40/794855140.db2.gz QLWFVHJOAGIQEI-MRCXROJRSA-N 1 0 269.316 1.986 20 10 CDCDRO COc1cccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226769 794903532 /nfs/dbraw/zinc/90/35/32/794903532.db2.gz ZACXCPIBEHGVTH-DOMZBBRYSA-N 1 0 262.353 1.714 20 10 CDCDRO OCC[NH+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000862429379 794908338 /nfs/dbraw/zinc/90/83/38/794908338.db2.gz FOAAPIQMBNYOBA-UHFFFAOYSA-N 1 0 278.396 1.464 20 10 CDCDRO CCOC(=O)[C@H]1CSCCN1Cc1ccccc1O ZINC000778995141 795049481 /nfs/dbraw/zinc/04/94/81/795049481.db2.gz QYPUACNBIZJZSR-GFCCVEGCSA-N 1 0 281.377 1.873 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C2([NH3+])CC2)cc1 ZINC000083449288 795054548 /nfs/dbraw/zinc/05/45/48/795054548.db2.gz BBXXQAVMXGYLQR-UHFFFAOYSA-N 1 0 261.369 1.640 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825417388 795057051 /nfs/dbraw/zinc/05/70/51/795057051.db2.gz LUPDAQAJYNPIBE-VIFPVBQESA-N 1 0 270.760 1.968 20 10 CDCDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)COC1 ZINC000259031991 795097026 /nfs/dbraw/zinc/09/70/26/795097026.db2.gz QNVXEQUOPQKNHD-UHFFFAOYSA-N 1 0 263.337 1.110 20 10 CDCDRO CC(C)[NH+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841962339 795231075 /nfs/dbraw/zinc/23/10/75/795231075.db2.gz OFCRUMAZLCWPOA-UHFFFAOYSA-N 1 0 290.411 1.547 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000877044376 795295114 /nfs/dbraw/zinc/29/51/14/795295114.db2.gz ZZMGXVQSYNUGPE-HNNXBMFYSA-N 1 0 265.353 1.578 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1O ZINC000249835550 795346934 /nfs/dbraw/zinc/34/69/34/795346934.db2.gz FJSQIGRGRFPAFQ-GXSJLCMTSA-N 1 0 265.309 1.324 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870868098 795377243 /nfs/dbraw/zinc/37/72/43/795377243.db2.gz UCLVEPOFKMGVAZ-BJHJDKERSA-N 1 0 262.353 1.868 20 10 CDCDRO Oc1ccc(F)cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312442852 795403001 /nfs/dbraw/zinc/40/30/01/795403001.db2.gz XFHFONOZUSWNDP-AWEZNQCLSA-N 1 0 279.359 1.011 20 10 CDCDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000857226387 795433024 /nfs/dbraw/zinc/43/30/24/795433024.db2.gz MTYLEFNJZAVLRM-ABAIWWIYSA-N 1 0 276.336 1.434 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CCO[C@H](C[NH3+])C1 ZINC000843066348 795561522 /nfs/dbraw/zinc/56/15/22/795561522.db2.gz VIMRIANYSCNRIL-OAHLLOKOSA-N 1 0 263.385 1.221 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000841652008 795747089 /nfs/dbraw/zinc/74/70/89/795747089.db2.gz CIVJFMSUPGJNNR-CQSZACIVSA-N 1 0 290.411 1.551 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000843120433 795825046 /nfs/dbraw/zinc/82/50/46/795825046.db2.gz KOFAFAGDLSSGMP-MRXNPFEDSA-N 1 0 292.379 1.595 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCNC2=O)c1 ZINC000808743443 795886489 /nfs/dbraw/zinc/88/64/89/795886489.db2.gz CUBRPPLQRCDYJJ-SNVBAGLBSA-N 1 0 279.340 1.077 20 10 CDCDRO CCN(CC)c1ccc(CN2CCO[C@H](C[NH3+])C2)cc1F ZINC000843065448 795918650 /nfs/dbraw/zinc/91/86/50/795918650.db2.gz FKORBILVJKATFU-CQSZACIVSA-N 1 0 295.402 1.831 20 10 CDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846476708 796002302 /nfs/dbraw/zinc/00/23/02/796002302.db2.gz OVAZWMBUXPUHIT-NSHDSACASA-N 1 0 268.744 1.756 20 10 CDCDRO CCn1cccc(C[NH2+]Cc2c(O)cccc2OC)c1=O ZINC000788523391 796017058 /nfs/dbraw/zinc/01/70/58/796017058.db2.gz BUBXOPYWWCZIFL-UHFFFAOYSA-N 1 0 288.347 1.872 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000883197520 796039628 /nfs/dbraw/zinc/03/96/28/796039628.db2.gz NLMCIQDOOSAXMX-UHFFFAOYSA-N 1 0 292.289 1.439 20 10 CDCDRO OC[C@@]1([C@@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)CCCO1 ZINC000816666301 796201067 /nfs/dbraw/zinc/20/10/67/796201067.db2.gz JOUHYNFRHLETKZ-JKSUJKDBSA-N 1 0 295.354 1.941 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779520493 796292385 /nfs/dbraw/zinc/29/23/85/796292385.db2.gz IEXUAJBHOSIPQS-YPUOHESYSA-N 1 0 292.379 1.958 20 10 CDCDRO CCOc1ccc(O)c(CN2CCC[C@H]([NH2+]C)C2)c1 ZINC000843048736 796309281 /nfs/dbraw/zinc/30/92/81/796309281.db2.gz VAOGGEOUXCLJAX-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000832267452 796345858 /nfs/dbraw/zinc/34/58/58/796345858.db2.gz SDMAHWIOOBWACZ-XHDPSFHLSA-N 1 0 275.396 1.915 20 10 CDCDRO CN(C)c1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000082807225 796354892 /nfs/dbraw/zinc/35/48/92/796354892.db2.gz DFMCNJZRISHEET-UHFFFAOYSA-N 1 0 299.378 1.051 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000832286172 796399036 /nfs/dbraw/zinc/39/90/36/796399036.db2.gz WTSSJFVLNRNIIJ-CYBMUJFWSA-N 1 0 288.351 1.479 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000843486564 796414904 /nfs/dbraw/zinc/41/49/04/796414904.db2.gz VQAMMWKISOMRSM-BETUJISGSA-N 1 0 289.379 1.081 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCCO1 ZINC001140623914 897199424 /nfs/dbraw/zinc/19/94/24/897199424.db2.gz WYVUCQLBHVXYTE-CQSZACIVSA-N 1 0 279.336 1.465 20 10 CDCDRO CN(CCC[NH2+][C@H]1CCc2cccc(O)c21)S(C)(=O)=O ZINC000692466503 898090503 /nfs/dbraw/zinc/09/05/03/898090503.db2.gz 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CDCDRO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])S(C)(=O)=O ZINC000776252109 926485614 /nfs/dbraw/zinc/48/56/14/926485614.db2.gz HSFJUONSEOVDNB-SSDOTTSWSA-N 1 0 295.763 1.707 20 10 CDCDRO [NH3+]C[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843054321 937107769 /nfs/dbraw/zinc/10/77/69/937107769.db2.gz KPJMCRRWDYBJFD-MRXNPFEDSA-N 1 0 275.396 1.446 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000858587942 928891807 /nfs/dbraw/zinc/89/18/07/928891807.db2.gz SOZXKBWPIJJNEE-GHMZBOCLSA-N 1 0 266.341 1.760 20 10 CDCDRO CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCC[N@@H+]1C ZINC000817373840 930514119 /nfs/dbraw/zinc/51/41/19/930514119.db2.gz OVPGOQHSOUUGNW-SWLSCSKDSA-N 1 0 292.379 1.344 20 10 CDCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC001116852132 937475889 /nfs/dbraw/zinc/47/58/89/937475889.db2.gz UBZRSNLIMRCQMA-RYUDHWBXSA-N 1 0 278.352 1.700 20 10 CDCDRO CCNC(=O)CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400308 931595330 /nfs/dbraw/zinc/59/53/30/931595330.db2.gz 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[NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC001206468463 940044649 /nfs/dbraw/zinc/04/46/49/940044649.db2.gz INRAGBOFAYNRON-DOTOQJQBSA-N 1 0 289.423 1.428 20 10 CDCDRO COc1cc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C)cc(O)c1O ZINC001276500595 940122971 /nfs/dbraw/zinc/12/29/71/940122971.db2.gz RMMQOEGOYSVQAW-QWRGUYRKSA-N 1 0 292.335 1.025 20 10 CDCDRO CC(C)(C[N@@H+]1CCc2cccc(O)c2C1)N1CCOCC1 ZINC001207305170 940178501 /nfs/dbraw/zinc/17/85/01/940178501.db2.gz VBWBNVCVWHDXFK-UHFFFAOYSA-N 1 0 290.407 1.861 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)cc1O ZINC001231638126 942953373 /nfs/dbraw/zinc/95/33/73/942953373.db2.gz VJBQEUAAOBUUSU-HZMBPMFUSA-N 1 0 279.336 1.717 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(O)cc1O ZINC001231638127 942954249 /nfs/dbraw/zinc/95/42/49/942954249.db2.gz VJBQEUAAOBUUSU-IINYFYTJSA-N 1 0 279.336 1.717 20 10 CDCDRO CC[NH+]1C[C@H]2CN(Cc3cc(OC)c(O)cc3O)C[C@@H]2C1 ZINC001231640197 942955530 /nfs/dbraw/zinc/95/55/30/942955530.db2.gz QTJQJYSQLPGQGR-STQMWFEESA-N 1 0 292.379 1.490 20 10 CDCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(OC)c(O)cc3O)C[C@H]2C1 ZINC001231640196 942955773 /nfs/dbraw/zinc/95/57/73/942955773.db2.gz QTJQJYSQLPGQGR-CHWSQXEVSA-N 1 0 292.379 1.490 20 10 CDCDRO CC[N@H+]1C[C@H]2CN(Cc3cc(OC)c(O)cc3O)C[C@H]2C1 ZINC001231640195 942957085 /nfs/dbraw/zinc/95/70/85/942957085.db2.gz QTJQJYSQLPGQGR-BETUJISGSA-N 1 0 292.379 1.490 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001231844377 943027141 /nfs/dbraw/zinc/02/71/41/943027141.db2.gz JWHMBKUNFONTEZ-ZDUSSCGKSA-N 1 0 262.353 1.849 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC001231879857 943038915 /nfs/dbraw/zinc/03/89/15/943038915.db2.gz SGUJTWMXISRTSU-GDBMZVCRSA-N 1 0 287.359 1.721 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001232834084 943412700 /nfs/dbraw/zinc/41/27/00/943412700.db2.gz GGKNDYLWHCSSFF-UHFFFAOYSA-N 1 0 262.353 1.415 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CCc3nccn3CC2)c(O)c1 ZINC001232840370 943416214 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CO[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482682 943590689 /nfs/dbraw/zinc/59/06/89/943590689.db2.gz YBOCMCMJOHLUGX-SNVBAGLBSA-N 1 0 253.298 1.414 20 10 CDCDRO CCN(CC[NH+](CC)CC)Cc1cc(O)c(O)cc1O ZINC001233484991 943592196 /nfs/dbraw/zinc/59/21/96/943592196.db2.gz FFXRPWIVTBZVGJ-UHFFFAOYSA-N 1 0 282.384 1.967 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCCOC3)cc1O ZINC001233483199 943593107 /nfs/dbraw/zinc/59/31/07/943593107.db2.gz QNDKHIFHFUWBCS-UHFFFAOYSA-N 1 0 265.309 1.416 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)[C@H]1C ZINC001233485900 943594069 /nfs/dbraw/zinc/59/40/69/943594069.db2.gz PQPQJVRSEWUACY-GXSJLCMTSA-N 1 0 295.335 1.577 20 10 CDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001235988239 944352544 /nfs/dbraw/zinc/35/25/44/944352544.db2.gz FYDWAHBFBOMAGJ-NOZJJQNGSA-N 1 0 268.744 1.674 20 10 CDCDRO Cc1c(CN2C[C@@H]3C[NH2+]C[C@H]32)c2ccccc2n1C ZINC001236281909 944442412 /nfs/dbraw/zinc/44/24/12/944442412.db2.gz CHBWLIUHDRUKMT-BLLLJJGKSA-N 1 0 255.365 1.890 20 10 CDCDRO COc1ccc(N2CC[NH+](CCO)CC2)c(C)c1 ZINC001236366485 944484319 /nfs/dbraw/zinc/48/43/19/944484319.db2.gz CSEKCZBGSZHEDL-UHFFFAOYSA-N 1 0 250.342 1.118 20 10 CDCDRO CCc1ccc(C[NH+]2CC(CC(=O)OC)C2)c(O)c1 ZINC001236795765 944571413 /nfs/dbraw/zinc/57/14/13/944571413.db2.gz ZQPOHXCDTKPUGT-UHFFFAOYSA-N 1 0 263.337 1.950 20 10 CDCDRO COc1cc(C)c(CN2CCO[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC001236807650 944575535 /nfs/dbraw/zinc/57/55/35/944575535.db2.gz HSYSFCUAELITFG-AWEZNQCLSA-N 1 0 294.395 1.472 20 10 CDCDRO COc1cc(C)c(C[N@@H+](C)CC(OC)OC)c(O)c1 ZINC001236811325 944575887 /nfs/dbraw/zinc/57/58/87/944575887.db2.gz PFEXOCSQBTYPPL-UHFFFAOYSA-N 1 0 269.341 1.760 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c(O)c1 ZINC001236812872 944578540 /nfs/dbraw/zinc/57/85/40/944578540.db2.gz GJTSEHWYACNJMF-CYBMUJFWSA-N 1 0 292.379 1.810 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236840891 944589436 /nfs/dbraw/zinc/58/94/36/944589436.db2.gz SCEUFZMBWUYSDQ-AWEZNQCLSA-N 1 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ZKTYLNVPKDJFLH-BFHYXJOUSA-N 1 0 290.407 1.905 20 10 CDCDRO Cn1ccc2ncc(-c3cnn(C4C[NH2+]C4)c3)cc21 ZINC001241612538 946390409 /nfs/dbraw/zinc/39/04/09/946390409.db2.gz ZLAQMLVNQXGFQW-UHFFFAOYSA-N 1 0 253.309 1.581 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001262572484 946725354 /nfs/dbraw/zinc/72/53/54/946725354.db2.gz VVTKEDILULDSGL-OAHLLOKOSA-N 1 0 290.411 1.942 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262577383 946728762 /nfs/dbraw/zinc/72/87/62/946728762.db2.gz OXRNLLGBYMOCAV-GJZGRUSLSA-N 1 0 290.411 1.941 20 10 CDCDRO Cc1ccc(C)c(C[NH2+]C23CC(C(N)=O)(C2)C3)c1O ZINC001278354924 946924191 /nfs/dbraw/zinc/92/41/91/946924191.db2.gz QBZRTWYTIVZZJV-UHFFFAOYSA-N 1 0 260.337 1.507 20 10 CDCDRO O=C1C[C@H]2CC([NH2+]Cc3cccc(O)c3O)C[C@@H]2C1 ZINC001254929885 947658830 /nfs/dbraw/zinc/65/88/30/947658830.db2.gz ZYNHDODUAYGXDH-GHMZBOCLSA-N 1 0 261.321 1.945 20 10 CDCDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001255523881 947962709 /nfs/dbraw/zinc/96/27/09/947962709.db2.gz LBUWEEMLPZVFGL-BXUZGUMPSA-N 1 0 281.352 1.678 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCn2cncn2)cc1F ZINC001308256756 956504032 /nfs/dbraw/zinc/50/40/32/956504032.db2.gz WRZCJOFIIVPOLJ-UHFFFAOYSA-N 1 0 263.320 1.273 20 10 CDCDRO COc1cccc(CNC(=O)NCCC(C)(C)[NH3+])c1O ZINC001332564514 957624360 /nfs/dbraw/zinc/62/43/60/957624360.db2.gz MOMYLQFOMMELCF-UHFFFAOYSA-N 1 0 281.356 1.327 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cnc3n2CCOC3)c1O ZINC001333814666 958621671 /nfs/dbraw/zinc/62/16/71/958621671.db2.gz QWYHWXZEMAIMPF-UHFFFAOYSA-N 1 0 289.335 1.417 20 10 CDCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001334160807 958890798 /nfs/dbraw/zinc/89/07/98/958890798.db2.gz HEVGGSPDSVKFDP-YPMHNXCESA-N 1 0 276.384 1.384 20 10 CDCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CCNC1=O ZINC001334272842 958988508 /nfs/dbraw/zinc/98/85/08/958988508.db2.gz YQFRGSOWHFIYSD-NSHDSACASA-N 1 0 294.351 1.120 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001338793757 961998914 /nfs/dbraw/zinc/99/89/14/961998914.db2.gz UVOUVBWIVOCEDP-JQWIXIFHSA-N 1 0 262.357 1.148 20 10 CDCDRO C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)c2cccc(F)c2O1 ZINC001576762128 1171509067 /nfs/dbraw/zinc/50/90/67/1171509067.db2.gz IBYCQNCLYOQFTJ-KOLCDFICSA-N 1 0 276.311 1.987 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(C)c1O ZINC000294955239 199268788 /nfs/dbraw/zinc/26/87/88/199268788.db2.gz DJVKPECTELSXPI-GFCCVEGCSA-N 1 0 286.397 1.118 20 10 CDCDRO C[C@H]([NH2+]CC1(CO)COC1)c1ccc(N(C)C)cc1 ZINC000090643212 342396824 /nfs/dbraw/zinc/39/68/24/342396824.db2.gz SYDXBUDASZUSJG-LBPRGKRZSA-N 1 0 264.369 1.412 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000187532805 357775362 /nfs/dbraw/zinc/77/53/62/357775362.db2.gz JEFAJYVDISEWFI-HNNXBMFYSA-N 1 0 279.336 1.392 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000192098301 358174746 /nfs/dbraw/zinc/17/47/46/358174746.db2.gz ZABZMIGZZFWCCD-QWHCGFSZSA-N 1 0 275.396 1.886 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCNC(=O)C(C)C)c1 ZINC000092104332 358538428 /nfs/dbraw/zinc/53/84/28/358538428.db2.gz FZFCNBWMOMIPRD-UHFFFAOYSA-N 1 0 294.395 1.995 20 10 CDCDRO CCOc1cccc(C[NH2+]CC(=O)N(C)CC)c1O ZINC000185185844 358777116 /nfs/dbraw/zinc/77/71/16/358777116.db2.gz MTVQHILTSBXLNW-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000235436422 361089178 /nfs/dbraw/zinc/08/91/78/361089178.db2.gz WJNPLHBYKVMLBK-CYBMUJFWSA-N 1 0 268.744 1.743 20 10 CDCDRO COCCn1cc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000271130791 364938354 /nfs/dbraw/zinc/93/83/54/364938354.db2.gz OKWXRNSMIAITSM-UHFFFAOYSA-N 1 0 275.352 1.867 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273367505 365489514 /nfs/dbraw/zinc/48/95/14/365489514.db2.gz BRVJGBOZMIMSSV-RISCZKNCSA-N 1 0 279.380 1.929 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000280427334 367388711 /nfs/dbraw/zinc/38/87/11/367388711.db2.gz ZXKLBPQYOIJJHP-HUUCEWRRSA-N 1 0 278.396 1.487 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282187910 367763714 /nfs/dbraw/zinc/76/37/14/367763714.db2.gz BSTZMOAITPELCO-IBGZPJMESA-N 1 0 283.393 1.792 20 10 CDCDRO CCC[N@H+](Cc1cccc(C)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000283081972 368177217 /nfs/dbraw/zinc/17/72/17/368177217.db2.gz RHZUZNGFJIABRE-ZDUSSCGKSA-N 1 0 290.363 1.670 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(C)cc1O ZINC000530222524 368151385 /nfs/dbraw/zinc/15/13/85/368151385.db2.gz FZOPDYZHXIIFOK-OCCSQVGLSA-N 1 0 264.369 1.730 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(=O)[nH]n1 ZINC000285827615 368661300 /nfs/dbraw/zinc/66/13/00/368661300.db2.gz WUFRDFCJWMMDOR-NSHDSACASA-N 1 0 272.352 1.687 20 10 CDCDRO Cc1cc(CN2CCNC(=O)C2(C)C)ccc1N(C)C ZINC000293207328 370551443 /nfs/dbraw/zinc/55/14/43/370551443.db2.gz USLAJJCHVITYMQ-UHFFFAOYSA-N 1 0 275.396 1.771 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000296939054 371940480 /nfs/dbraw/zinc/94/04/80/371940480.db2.gz XLTLSAKGKGRYLW-SNVBAGLBSA-N 1 0 296.342 1.793 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000248616729 377291587 /nfs/dbraw/zinc/29/15/87/377291587.db2.gz MACXUUNCOTUAPG-FPMFFAJLSA-N 1 0 259.353 1.007 20 10 CDCDRO COc1cc(O)c(C[NH2+]C2(CO)CCC2)cc1OC ZINC000180935324 261878700 /nfs/dbraw/zinc/87/87/00/261878700.db2.gz ANRYVLIYNMVOIM-UHFFFAOYSA-N 1 0 267.325 1.414 20 10 CDCDRO Cc1c(/C=C/C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cnn1C ZINC000493050831 253357038 /nfs/dbraw/zinc/35/70/38/253357038.db2.gz OYUCUAAARLWOOG-KIUWMYQTSA-N 1 0 296.374 1.658 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCN(C(C)=O)CC2)c1O ZINC000133283859 390902881 /nfs/dbraw/zinc/90/28/81/390902881.db2.gz SXVKOFXPJQBBBI-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1C ZINC000373770277 391131024 /nfs/dbraw/zinc/13/10/24/391131024.db2.gz XNLYGUKTNZMAGG-ZFWWWQNUSA-N 1 0 290.363 1.098 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NCCF ZINC000296246966 391692262 /nfs/dbraw/zinc/69/22/62/391692262.db2.gz BAPSIAWLFKZQKX-GXSJLCMTSA-N 1 0 266.316 1.443 20 10 CDCDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000020202461 171066665 /nfs/dbraw/zinc/06/66/65/171066665.db2.gz HFMGKHXAFPZITD-UHFFFAOYSA-N 1 0 298.408 1.296 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186203187 262084373 /nfs/dbraw/zinc/08/43/73/262084373.db2.gz NHWORQDBNWOKHD-NWDGAFQWSA-N 1 0 253.342 1.749 20 10 CDCDRO Cc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)n(C)n1 ZINC000283840813 263084653 /nfs/dbraw/zinc/08/46/53/263084653.db2.gz HHPVDGNOHYCRQQ-UHFFFAOYSA-N 1 0 275.308 1.453 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CC2(O)CCOCC2)c1 ZINC000188833561 276374984 /nfs/dbraw/zinc/37/49/84/276374984.db2.gz NDALKUOVCLNVIU-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296584770 280145680 /nfs/dbraw/zinc/14/56/80/280145680.db2.gz UPXCAMUMQGCSLQ-RYUDHWBXSA-N 1 0 298.408 1.297 20 10 CDCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000219065786 333141016 /nfs/dbraw/zinc/14/10/16/333141016.db2.gz QBGWZUNKOCMBLQ-OQPBUACISA-N 1 0 285.365 1.323 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)C2CC2)c1O ZINC000229051954 522539290 /nfs/dbraw/zinc/53/92/90/522539290.db2.gz JEWAGOYVLHMIHN-LLVKDONJSA-N 1 0 271.744 1.915 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000265289647 521150395 /nfs/dbraw/zinc/15/03/95/521150395.db2.gz ZAWRDGVGWQGWHQ-CQSZACIVSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000278750615 521152826 /nfs/dbraw/zinc/15/28/26/521152826.db2.gz WGEZSXWWKBRLRT-ABAIWWIYSA-N 1 0 281.352 1.420 20 10 CDCDRO CCOc1cccc(CN(C)CC[NH+](C)C)c1O ZINC000211485501 521330813 /nfs/dbraw/zinc/33/08/13/521330813.db2.gz QBVHQECCGQGYFD-UHFFFAOYSA-N 1 0 252.358 1.784 20 10 CDCDRO COc1c(O)c(C[N@@H+](C)C[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000289768793 521869369 /nfs/dbraw/zinc/86/93/69/521869369.db2.gz RFSWTEPUAFYVIP-VIFPVBQESA-N 1 0 284.312 1.776 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280560597 521876544 /nfs/dbraw/zinc/87/65/44/521876544.db2.gz UXXWICAPJDXQAT-LLVKDONJSA-N 1 0 296.323 1.512 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1F ZINC000275859743 522173618 /nfs/dbraw/zinc/17/36/18/522173618.db2.gz IWPVZWGUHGWYFM-UHFFFAOYSA-N 1 0 296.386 1.865 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1F ZINC000237084451 522200161 /nfs/dbraw/zinc/20/01/61/522200161.db2.gz MRLRAHNQNYNYBI-INIZCTEOSA-N 1 0 293.386 1.898 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000279377749 522747896 /nfs/dbraw/zinc/74/78/96/522747896.db2.gz IOVXOPOKPMTJDT-DZGCQCFKSA-N 1 0 281.352 1.684 20 10 CDCDRO C[N@H+](CCNC(=O)c1c(F)ccc(O)c1O)C1CCCC1 ZINC000276540857 522859393 /nfs/dbraw/zinc/85/93/93/522859393.db2.gz GDDZLVFIJQAASO-UHFFFAOYSA-N 1 0 296.342 1.841 20 10 CDCDRO CON(C)C(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000291020471 523286067 /nfs/dbraw/zinc/28/60/67/523286067.db2.gz AHBISNJBJBMFGE-UHFFFAOYSA-N 1 0 292.379 1.932 20 10 CDCDRO CN(CCC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000265216640 524053536 /nfs/dbraw/zinc/05/35/36/524053536.db2.gz FRIOPOXBUVWWFL-UHFFFAOYSA-N 1 0 291.439 1.907 20 10 CDCDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000292969183 524175141 /nfs/dbraw/zinc/17/51/41/524175141.db2.gz KCIOQQXZFUUKGF-ZUZCIYMTSA-N 1 0 279.336 1.762 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000278909088 524770939 /nfs/dbraw/zinc/77/09/39/524770939.db2.gz VQDLSILAAOKLPF-ZIBATOQPSA-N 1 0 281.352 1.591 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299546565 526754086 /nfs/dbraw/zinc/75/40/86/526754086.db2.gz WLRZPGNSSLTWNK-KGLIPLIRSA-N 1 0 289.379 1.818 20 10 CDCDRO O=S1(=O)CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083551550 527313504 /nfs/dbraw/zinc/31/35/04/527313504.db2.gz KJAUOFBBJUSQTL-QMMMGPOBSA-N 1 0 275.757 1.322 20 10 CDCDRO CCOc1ccc(C[NH2+]CC(=O)N(CC)CC)c(O)c1 ZINC000725848380 574444228 /nfs/dbraw/zinc/44/42/28/574444228.db2.gz PHSDKAXHZNITJT-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCc1nnc2ccccn21 ZINC000731448314 575049484 /nfs/dbraw/zinc/04/94/84/575049484.db2.gz BWCGRVPZLQYZLV-UHFFFAOYSA-N 1 0 298.346 1.776 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCOC1 ZINC000769532230 575357041 /nfs/dbraw/zinc/35/70/41/575357041.db2.gz IDSLJRCXGFFSOM-NSHDSACASA-N 1 0 251.326 1.869 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756354758 575793585 /nfs/dbraw/zinc/79/35/85/575793585.db2.gz COUXQMLLJNZGBC-YUMQZZPRSA-N 1 0 272.295 1.846 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000766223670 576087071 /nfs/dbraw/zinc/08/70/71/576087071.db2.gz ILTLRXXCDQDTHJ-UHFFFAOYSA-N 1 0 292.379 1.355 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000766465594 576104675 /nfs/dbraw/zinc/10/46/75/576104675.db2.gz ALGXEFAFLKWYFW-INIZCTEOSA-N 1 0 292.379 1.564 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCOC1 ZINC000768446511 576284002 /nfs/dbraw/zinc/28/40/02/576284002.db2.gz KSYCRCDHKQUUSK-XHDPSFHLSA-N 1 0 293.363 1.676 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000769384697 576350830 /nfs/dbraw/zinc/35/08/30/576350830.db2.gz TYUCDICGSOEBNH-GFCCVEGCSA-N 1 0 281.352 1.374 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC(C)(C)O)c(O)c1 ZINC000769425067 576353491 /nfs/dbraw/zinc/35/34/91/576353491.db2.gz KTHBTOYRGMUGIH-UHFFFAOYSA-N 1 0 253.342 1.994 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC(O)C1 ZINC000761222760 576561016 /nfs/dbraw/zinc/56/10/16/576561016.db2.gz MQAJRAZUOQTHNZ-UHFFFAOYSA-N 1 0 276.380 1.478 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000749128316 576936649 /nfs/dbraw/zinc/93/66/49/576936649.db2.gz LZDMRLCMNZLOJQ-VIFPVBQESA-N 1 0 253.321 1.245 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756505667 576992661 /nfs/dbraw/zinc/99/26/61/576992661.db2.gz VDKZSKKQMFTGRT-WPRPVWTQSA-N 1 0 287.356 1.714 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750816966 577007858 /nfs/dbraw/zinc/00/78/58/577007858.db2.gz FVKSLYGDLMPPFW-TXEJJXNPSA-N 1 0 278.327 1.385 20 10 CDCDRO Oc1cccc(Cl)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000757931309 577061567 /nfs/dbraw/zinc/06/15/67/577061567.db2.gz YTSOBEWULATZAP-NSHDSACASA-N 1 0 282.771 1.562 20 10 CDCDRO Cc1cccc(C[NH2+]C2COC(C)(C)OC2)c1O ZINC000758011805 577067168 /nfs/dbraw/zinc/06/71/68/577067168.db2.gz FHYCXEVBUVGKAP-UHFFFAOYSA-N 1 0 251.326 1.942 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC000753586135 577178485 /nfs/dbraw/zinc/17/84/85/577178485.db2.gz BPMVWZNIQMSCAI-UHFFFAOYSA-N 1 0 276.336 1.775 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000892017583 617413923 /nfs/dbraw/zinc/41/39/23/617413923.db2.gz WDKDGOLEVIVMIC-GHMZBOCLSA-N 1 0 263.341 1.504 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)N[C@H](C)c1ccccc1O ZINC000892057443 617448325 /nfs/dbraw/zinc/44/83/25/617448325.db2.gz ZVYALMQUWNUCOK-NXEZZACHSA-N 1 0 251.330 1.490 20 10 CDCDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892090330 617474736 /nfs/dbraw/zinc/47/47/36/617474736.db2.gz VNTIFDXFCLBYBU-NEPJUHHUSA-N 1 0 275.352 1.687 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000775985871 617593863 /nfs/dbraw/zinc/59/38/63/617593863.db2.gz PKPFTNUQWNXEDB-NWDGAFQWSA-N 1 0 264.369 1.925 20 10 CDCDRO COCCC[N@H+](CCO)Cc1ccc(OC)c(OC)c1O ZINC000893885603 618139877 /nfs/dbraw/zinc/13/98/77/618139877.db2.gz MVGFZZHVXKPTHL-UHFFFAOYSA-N 1 0 299.367 1.240 20 10 CDCDRO CC[N@H+](CCCO)Cc1cc(C)cc(OC)c1O ZINC000894053373 618311243 /nfs/dbraw/zinc/31/12/43/618311243.db2.gz GHDAGZMANAQZAN-UHFFFAOYSA-N 1 0 253.342 1.914 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)c1O ZINC000894287699 618488327 /nfs/dbraw/zinc/48/83/27/618488327.db2.gz JQYVXBVYHQNCCR-WCQYABFASA-N 1 0 292.379 1.843 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c(O)c1 ZINC000818233884 618503141 /nfs/dbraw/zinc/50/31/41/618503141.db2.gz QEOFEZULEXRYIX-GFCCVEGCSA-N 1 0 292.335 1.028 20 10 CDCDRO COC[C@]1(CNCc2cccc(F)c2O)CCC[NH2+]1 ZINC000841067959 618680636 /nfs/dbraw/zinc/68/06/36/618680636.db2.gz RJGGLETXWGQCQE-CQSZACIVSA-N 1 0 268.332 1.390 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2cccc(F)c2O)CCCO1 ZINC000841101520 618683290 /nfs/dbraw/zinc/68/32/90/618683290.db2.gz WTOQCBQDJHJXRW-LLVKDONJSA-N 1 0 254.305 1.081 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000843058262 618692015 /nfs/dbraw/zinc/69/20/15/618692015.db2.gz QMMRJZHJKNIAMV-NHYWBVRUSA-N 1 0 281.375 1.440 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@]2(C)CCOC2)c1O ZINC000894361572 618821424 /nfs/dbraw/zinc/82/14/24/618821424.db2.gz JVQINUBOBNLQJK-AWEZNQCLSA-N 1 0 251.326 1.978 20 10 CDCDRO COc1ccc(C[N@@H+](C)C[C@H](C)OC)c(O)c1OC ZINC000894435403 618885853 /nfs/dbraw/zinc/88/58/53/618885853.db2.gz OSMZJLWYGXIYOD-JTQLQIEISA-N 1 0 269.341 1.876 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H]1OC ZINC000894466947 618903322 /nfs/dbraw/zinc/90/33/22/618903322.db2.gz QFMNWUMNPWWEOQ-YRGRVCCFSA-N 1 0 287.306 1.952 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000894533411 618945873 /nfs/dbraw/zinc/94/58/73/618945873.db2.gz IRGIQDVGVLURSM-SWLSCSKDSA-N 1 0 263.337 1.523 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000895083234 619272522 /nfs/dbraw/zinc/27/25/22/619272522.db2.gz IMWIQDMJSFUDLC-PWSUYJOCSA-N 1 0 251.326 1.976 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CCC(O)(CO)CC2)c1O ZINC000895261340 619503677 /nfs/dbraw/zinc/50/36/77/619503677.db2.gz VPWXOXYQGCTETP-UHFFFAOYSA-N 1 0 281.352 1.028 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1OC ZINC000895315631 619545089 /nfs/dbraw/zinc/54/50/89/619545089.db2.gz IBEKHPBGHZSGQJ-ZDUSSCGKSA-N 1 0 294.351 1.024 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1Cl ZINC000895326213 619564336 /nfs/dbraw/zinc/56/43/36/619564336.db2.gz VZWLMOBAKHAJKE-SMDDNHRTSA-N 1 0 285.771 1.672 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1O ZINC000895327948 619565081 /nfs/dbraw/zinc/56/50/81/619565081.db2.gz FGVHGVYFYZYOIW-IUODEOHRSA-N 1 0 281.352 1.109 20 10 CDCDRO CS[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1[NH+](C)C ZINC000841295590 619619244 /nfs/dbraw/zinc/61/92/44/619619244.db2.gz CAZMWEQMHAUAJU-STQMWFEESA-N 1 0 294.424 1.778 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000895449337 619672127 /nfs/dbraw/zinc/67/21/27/619672127.db2.gz HBLZMYQDUJUGNR-RYUDHWBXSA-N 1 0 251.326 1.712 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c(O)c1OC ZINC000895515603 619705721 /nfs/dbraw/zinc/70/57/21/619705721.db2.gz WPIQZJWFKBEPMB-YPMHNXCESA-N 1 0 295.379 1.860 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(O)c1 ZINC000895785597 619841394 /nfs/dbraw/zinc/84/13/94/619841394.db2.gz WIABGDLMUGRIAC-GLQYFDAESA-N 1 0 277.364 1.994 20 10 CDCDRO COc1ccc(C[N@@H+]2CCSC[C@H]2CO)c(O)c1OC ZINC000895923117 619902104 /nfs/dbraw/zinc/90/21/04/619902104.db2.gz ISQMUZSEHLAPLK-LLVKDONJSA-N 1 0 299.392 1.319 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1O ZINC000841746213 620867395 /nfs/dbraw/zinc/86/73/95/620867395.db2.gz DCPXFLGVGNIXQX-WPRPVWTQSA-N 1 0 268.744 1.927 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758189 621010729 /nfs/dbraw/zinc/01/07/29/621010729.db2.gz FNIGYPCEEFCDNB-NSHDSACASA-N 1 0 276.384 1.215 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@H](O)C2CC2)c(O)c1OC ZINC000898192515 621387808 /nfs/dbraw/zinc/38/78/08/621387808.db2.gz GCEWMOTWNKIOQW-LBPRGKRZSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000898194592 621389837 /nfs/dbraw/zinc/38/98/37/621389837.db2.gz KVRBVGRUKHWQQA-CYBMUJFWSA-N 1 0 265.353 1.960 20 10 CDCDRO [NH3+]C1(CNCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000904449783 626300322 /nfs/dbraw/zinc/30/03/22/626300322.db2.gz NCGNCACLRBCDPA-UHFFFAOYSA-N 1 0 279.359 1.243 20 10 CDCDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000905054533 626388480 /nfs/dbraw/zinc/38/84/80/626388480.db2.gz IWXWPQARJGYWEA-UHFFFAOYSA-N 1 0 283.303 1.029 20 10 CDCDRO C[C@@H]1C[C@H](C(=O)NCCc2ccc(N)cc2)CC[NH2+]1 ZINC000911782440 629499248 /nfs/dbraw/zinc/49/92/48/629499248.db2.gz JFEZEAQPYCYTOO-DGCLKSJQSA-N 1 0 261.369 1.316 20 10 CDCDRO Nc1ccc(CCNC(=O)CCSCCC[NH3+])cc1 ZINC000911783530 629500135 /nfs/dbraw/zinc/50/01/35/629500135.db2.gz WGZHACZONSQUIF-UHFFFAOYSA-N 1 0 281.425 1.400 20 10 CDCDRO CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[NH+](C)C ZINC000151545368 630693911 /nfs/dbraw/zinc/69/39/11/630693911.db2.gz VVPBQCRJXXCFNT-GWCFXTLKSA-N 1 0 280.368 1.918 20 10 CDCDRO C[C@H]1C(=O)NCCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000788044599 631748865 /nfs/dbraw/zinc/74/88/65/631748865.db2.gz NVSAJNGNZOQQDH-NSHDSACASA-N 1 0 285.347 1.651 20 10 CDCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(C)ccc1O ZINC000088658259 1158735095 /nfs/dbraw/zinc/73/50/95/1158735095.db2.gz UHGPNDPZZWLPJF-CYBMUJFWSA-N 1 0 278.352 1.038 20 10 CDCDRO CCc1cccc(C[NH2+]CC[S@](=O)CC)c1O ZINC000691521282 1162042292 /nfs/dbraw/zinc/04/22/92/1162042292.db2.gz IKOXGDNECKCNCL-QGZVFWFLSA-N 1 0 255.383 1.813 20 10 CDCDRO C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001609779955 1165079328 /nfs/dbraw/zinc/07/93/28/1165079328.db2.gz PWDUUSTUWMNUAL-JTQLQIEISA-N 1 0 278.352 1.883 20 10 CDCDRO C[C@H]1CC[NH2+][C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001576744421 1171505588 /nfs/dbraw/zinc/50/55/88/1171505588.db2.gz JAOAFGRGZPMFCL-GWCFXTLKSA-N 1 0 260.337 1.623 20 10 CDCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC001580331829 1172405761 /nfs/dbraw/zinc/40/57/61/1172405761.db2.gz OBLFXFLRUWIEAD-KYZUINATSA-N 1 0 282.315 1.484 20 10 CDCDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000312426252 1186699903 /nfs/dbraw/zinc/69/99/03/1186699903.db2.gz RYBSKEFKYCTPMZ-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000794839100 1164651032 /nfs/dbraw/zinc/65/10/32/1164651032.db2.gz YRAXGWCPHAVCAY-WCBMZHEXSA-N 1 0 259.733 1.704 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]CCN3CCC3)cc2)CC1 ZINC000877110722 1165977299 /nfs/dbraw/zinc/97/72/99/1165977299.db2.gz ADUJZZPWPJKGNF-UHFFFAOYSA-N 1 0 289.423 1.443 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000877489939 1166046022 /nfs/dbraw/zinc/04/60/22/1166046022.db2.gz RCOSPYBTVVEHNL-FZMZJTMJSA-N 1 0 251.326 1.330 20 10 CDCDRO Cc1ccc(C[NH2+]CCN2CCC(O)CC2)c(O)c1 ZINC000877572341 1166059553 /nfs/dbraw/zinc/05/95/53/1166059553.db2.gz PMWDLGNXMXKHRA-UHFFFAOYSA-N 1 0 264.369 1.247 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000877614060 1166067115 /nfs/dbraw/zinc/06/71/15/1166067115.db2.gz UQSWTPZBZZKFBB-GFCCVEGCSA-N 1 0 274.364 1.801 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCC(CO)(CO)CC2)cc1Cl ZINC000877796124 1166102512 /nfs/dbraw/zinc/10/25/12/1166102512.db2.gz IQRWBTDRKNBNJK-UHFFFAOYSA-N 1 0 299.798 1.921 20 10 CDCDRO CCO[C@@H](CC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279859 796518594 /nfs/dbraw/zinc/51/85/94/796518594.db2.gz MAAIJOIRBIZEOT-GJZGRUSLSA-N 1 0 293.411 1.684 20 10 CDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876584395 796535524 /nfs/dbraw/zinc/53/55/24/796535524.db2.gz WIELGBQPBZXAJK-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000846156285 796679654 /nfs/dbraw/zinc/67/96/54/796679654.db2.gz DBLAEDUYKCTGSG-NXEZZACHSA-N 1 0 287.381 1.485 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)CC(C)C)c1 ZINC000224571962 796694365 /nfs/dbraw/zinc/69/43/65/796694365.db2.gz GGFHVCAHCZGLRH-LBPRGKRZSA-N 1 0 253.342 1.897 20 10 CDCDRO C[C@H](C(=O)NCCCSc1nccs1)[NH+](C)C ZINC000874464637 796736503 /nfs/dbraw/zinc/73/65/03/796736503.db2.gz FVTNAUPEYIIYFY-SECBINFHSA-N 1 0 273.427 1.692 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cnc[nH]3)cc2)CC1 ZINC000881851039 796775497 /nfs/dbraw/zinc/77/54/97/796775497.db2.gz BFCWWIQKYIDIOA-UHFFFAOYSA-N 1 0 299.378 1.092 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[NH2+]C2CC2)c1 ZINC000848426972 796819347 /nfs/dbraw/zinc/81/93/47/796819347.db2.gz RCIKAEUJPHOHTJ-JTQLQIEISA-N 1 0 278.352 1.720 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@](CO)(COC)C2)c1O ZINC000848915564 796837773 /nfs/dbraw/zinc/83/77/73/796837773.db2.gz XSMWGOMVENTHMF-MRXNPFEDSA-N 1 0 279.380 1.785 20 10 CDCDRO CC[NH+](CC)CC[C@@H](CO)NCc1ccc2c(c1)CCO2 ZINC000883161076 796842621 /nfs/dbraw/zinc/84/26/21/796842621.db2.gz JCMYEDVHGIXTSN-INIZCTEOSA-N 1 0 292.423 1.804 20 10 CDCDRO CS(=O)(=O)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000388856541 796843591 /nfs/dbraw/zinc/84/35/91/796843591.db2.gz ZTJIBTZSIWRCMH-UHFFFAOYSA-N 1 0 287.356 1.540 20 10 CDCDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)[C@@H]1CCOC1 ZINC000850342517 796894733 /nfs/dbraw/zinc/89/47/33/796894733.db2.gz MDBYMAHRNUQMGP-IUODEOHRSA-N 1 0 265.353 1.842 20 10 CDCDRO CN(C)c1ccc(CNC(=S)NCC[NH+](C)C)cc1 ZINC000007371581 797077403 /nfs/dbraw/zinc/07/74/03/797077403.db2.gz OOXUMZCPBPPDPT-UHFFFAOYSA-N 1 0 280.441 1.278 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000825067906 797306271 /nfs/dbraw/zinc/30/62/71/797306271.db2.gz HLLSHIVBTKGDGG-LLVKDONJSA-N 1 0 250.342 1.623 20 10 CDCDRO Cc1cc(CN2C[C@H](CO)O[C@@H](C)C2)ccc1N(C)C ZINC000815100857 797309213 /nfs/dbraw/zinc/30/92/13/797309213.db2.gz WAPHEXWXUOQGSC-DZGCQCFKSA-N 1 0 278.396 1.643 20 10 CDCDRO COc1c(O)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843120118 797359180 /nfs/dbraw/zinc/35/91/80/797359180.db2.gz XXRHEOWOUKMDCQ-ZJUUUORDSA-N 1 0 295.339 1.491 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000825158400 797371635 /nfs/dbraw/zinc/37/16/35/797371635.db2.gz KLKKUAHKPYDUFC-MRXNPFEDSA-N 1 0 296.386 1.723 20 10 CDCDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843047444 797434335 /nfs/dbraw/zinc/43/43/35/797434335.db2.gz MBMZVHBPVDNSII-OAHLLOKOSA-N 1 0 288.439 1.232 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]CCCSc1nccs1 ZINC000182992852 797483249 /nfs/dbraw/zinc/48/32/49/797483249.db2.gz YYMVMVSNLNJHSO-SECBINFHSA-N 1 0 294.467 1.648 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c1O ZINC000814173956 797485752 /nfs/dbraw/zinc/48/57/52/797485752.db2.gz UDQLGLYYMNTILX-GXTWGEPZSA-N 1 0 276.380 1.927 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841999168 797523752 /nfs/dbraw/zinc/52/37/52/797523752.db2.gz BOAOJLMBNBFLNN-NHAGDIPZSA-N 1 0 289.379 1.532 20 10 CDCDRO NC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000157130758 797528719 /nfs/dbraw/zinc/52/87/19/797528719.db2.gz XFQCMTVVIQBGTC-QMMMGPOBSA-N 1 0 254.717 1.353 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)CC1CCOCC1 ZINC000156027864 797639502 /nfs/dbraw/zinc/63/95/02/797639502.db2.gz IFQNBWLRDPIUGK-UHFFFAOYSA-N 1 0 279.336 1.979 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000817955210 797698448 /nfs/dbraw/zinc/69/84/48/797698448.db2.gz SMFANZUUKVSMOA-RYUDHWBXSA-N 1 0 292.379 1.829 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000825158418 797762402 /nfs/dbraw/zinc/76/24/02/797762402.db2.gz LCEDICMXMYSBDX-MRXNPFEDSA-N 1 0 279.380 1.840 20 10 CDCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794649465 797803688 /nfs/dbraw/zinc/80/36/88/797803688.db2.gz LHUMMPAFXKWLFS-HOCLYGCPSA-N 1 0 293.363 1.819 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846137844 797809011 /nfs/dbraw/zinc/80/90/11/797809011.db2.gz RJMDTIVJGKJNSU-ZJUUUORDSA-N 1 0 266.341 1.576 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](C)C(=O)N(C)OC)c(O)c1 ZINC000858324834 797862539 /nfs/dbraw/zinc/86/25/39/797862539.db2.gz HTLXPHFRUMJJHP-SNVBAGLBSA-N 1 0 282.340 1.289 20 10 CDCDRO C[C@H]([NH2+]CCOCCO)c1ccc(Cl)cc1O ZINC000841745153 797874606 /nfs/dbraw/zinc/87/46/06/797874606.db2.gz VHVCJMPDIRCFDD-VIFPVBQESA-N 1 0 259.733 1.705 20 10 CDCDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996526 797980025 /nfs/dbraw/zinc/98/00/25/797980025.db2.gz HHWHULPUFXEVDU-OAHLLOKOSA-N 1 0 279.380 1.887 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000122879351 797986063 /nfs/dbraw/zinc/98/60/63/797986063.db2.gz OICNORIMGNBTRM-ZDUSSCGKSA-N 1 0 271.744 1.941 20 10 CDCDRO [NH3+][C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843044073 798001223 /nfs/dbraw/zinc/00/12/23/798001223.db2.gz RYSAYUWSEUSZHO-SNVBAGLBSA-N 1 0 250.298 1.044 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC2(O)CCC2)cc1OC ZINC000776175340 798027704 /nfs/dbraw/zinc/02/77/04/798027704.db2.gz PVECLJSKFCVMHX-UHFFFAOYSA-N 1 0 267.325 1.414 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCn1cccn1 ZINC000062801607 912382963 /nfs/dbraw/zinc/38/29/63/912382963.db2.gz LMZRRZROEGQSOJ-UHFFFAOYSA-N 1 0 256.353 1.795 20 10 CDCDRO COc1cccc(C[NH2+]CCc2ccnn2C)c1O ZINC000231033388 912418913 /nfs/dbraw/zinc/41/89/13/912418913.db2.gz LXFDVAXTMNSXCE-UHFFFAOYSA-N 1 0 261.325 1.467 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+]CC2(C)C)c1O ZINC000088137909 912617784 /nfs/dbraw/zinc/61/77/84/912617784.db2.gz SKXNMQXAJRJQCX-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCCN1CCOCC1)CC2 ZINC000383246917 895494461 /nfs/dbraw/zinc/49/44/61/895494461.db2.gz CXZQPIPEHRDWFC-AWEZNQCLSA-N 1 0 276.380 1.691 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@]23CCN(C)C3=O)c1 ZINC001272623006 914201584 /nfs/dbraw/zinc/20/15/84/914201584.db2.gz UYSNISQTBSTIIH-MRXNPFEDSA-N 1 0 274.364 1.897 20 10 CDCDRO CC(C)([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000236801118 901976340 /nfs/dbraw/zinc/97/63/40/901976340.db2.gz VTPZXVFWUHGAGF-UHFFFAOYSA-N 1 0 293.436 1.593 20 10 CDCDRO COc1cc(CN2CC[C@@](C)([NH3+])C2)c(O)cc1O ZINC001204790585 906560204 /nfs/dbraw/zinc/56/02/04/906560204.db2.gz KTSOPFFJAHZUOC-CYBMUJFWSA-N 1 0 252.314 1.030 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841939389 908827657 /nfs/dbraw/zinc/82/76/57/908827657.db2.gz PRPPIXHHPLVLEA-CQSZACIVSA-N 1 0 290.411 1.646 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CCC[NH3+])c1 ZINC000842000533 908852525 /nfs/dbraw/zinc/85/25/25/908852525.db2.gz WWUWQMZSRFETEY-GHMZBOCLSA-N 1 0 295.383 1.888 20 10 CDCDRO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000036959794 909930572 /nfs/dbraw/zinc/93/05/72/909930572.db2.gz ZOIFSYPGYMDMKN-MNOVXSKESA-N 1 0 250.342 1.958 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000164675564 911372894 /nfs/dbraw/zinc/37/28/94/911372894.db2.gz YMWVKFUTNNLYOQ-VIFPVBQESA-N 1 0 256.733 1.205 20 10 CDCDRO COc1ccc(N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000058467572 911628408 /nfs/dbraw/zinc/62/84/08/911628408.db2.gz RDTYGSMRMQFDEM-UHFFFAOYSA-N 1 0 289.423 1.913 20 10 CDCDRO Cc1cccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1O ZINC000158096912 911725719 /nfs/dbraw/zinc/72/57/19/911725719.db2.gz OBKFZEVPPVHRCZ-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001172915232 912055820 /nfs/dbraw/zinc/05/58/20/912055820.db2.gz PHYAARISVWLGQV-YWPYICTPSA-N 1 0 281.352 1.678 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689375 915927219 /nfs/dbraw/zinc/92/72/19/915927219.db2.gz NMLWFSZNBQGCPA-VUDGCMKMSA-N 1 0 290.363 1.712 20 10 CDCDRO CCOc1cccc(CN2C[C@H](C)[NH2+]C[C@H]2C)c1O ZINC000250522446 916174462 /nfs/dbraw/zinc/17/44/62/916174462.db2.gz UIMLWAXVMLUOHF-NWDGAFQWSA-N 1 0 264.369 1.973 20 10 CDCDRO Oc1ccc(C[NH+]2CCN(c3cnccn3)CC2)c(O)c1 ZINC001204273070 916430678 /nfs/dbraw/zinc/43/06/78/916430678.db2.gz WIXDDLKVIXNFOX-UHFFFAOYSA-N 1 0 286.335 1.210 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N(C)C)cc1OC ZINC001236869511 916986456 /nfs/dbraw/zinc/98/64/56/916986456.db2.gz LGZOSUOSVNLONN-ZDUSSCGKSA-N 1 0 265.401 1.930 20 10 CDCDRO COc1cc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c(OC)c1 ZINC001206448392 917036597 /nfs/dbraw/zinc/03/65/97/917036597.db2.gz ZQAJONNSJPOTFV-MNOVXSKESA-N 1 0 284.331 1.281 20 10 CDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cccc1F ZINC001137837471 936418686 /nfs/dbraw/zinc/41/86/86/936418686.db2.gz IEQQWXADJFPBNJ-PHIMTYICSA-N 1 0 250.317 1.810 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCOC[C@H]2C)c1 ZINC000185340162 917885976 /nfs/dbraw/zinc/88/59/76/917885976.db2.gz CUDDEEGJLSWIBS-OLZOCXBDSA-N 1 0 294.395 1.772 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000827000001 936471678 /nfs/dbraw/zinc/47/16/78/936471678.db2.gz GBDXVGYHLIJQPI-GFCCVEGCSA-N 1 0 292.335 1.427 20 10 CDCDRO COC[C@H]1COCCN1Cc1ccc2c(c1)CCCN2C ZINC001138358841 936525833 /nfs/dbraw/zinc/52/58/33/936525833.db2.gz CSNXWPIHJIDDQL-INIZCTEOSA-N 1 0 290.407 1.916 20 10 CDCDRO C[NH2+]CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725986 936605393 /nfs/dbraw/zinc/60/53/93/936605393.db2.gz RAZAZJJVXCDXGR-ZDUSSCGKSA-N 1 0 291.395 1.310 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000387315051 936638549 /nfs/dbraw/zinc/63/85/49/936638549.db2.gz RGAGSWFQZMMQOW-HNNXBMFYSA-N 1 0 287.407 1.997 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2CO)c1O ZINC000388399952 936642844 /nfs/dbraw/zinc/64/28/44/936642844.db2.gz VCNKBJLXRLVMEH-LBPRGKRZSA-N 1 0 299.367 1.644 20 10 CDCDRO CC[C@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000775090512 920369414 /nfs/dbraw/zinc/36/94/14/920369414.db2.gz RMLBIGRLWOEUQK-AWEZNQCLSA-N 1 0 296.323 1.656 20 10 CDCDRO NC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140057317 936675243 /nfs/dbraw/zinc/67/52/43/936675243.db2.gz DRJROBHWCHPYRT-UHFFFAOYSA-N 1 0 267.304 1.164 20 10 CDCDRO O=C1NCC[C@]12CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140063527 936675610 /nfs/dbraw/zinc/67/56/10/936675610.db2.gz RCMGFEMMVWHPKP-HNNXBMFYSA-N 1 0 278.327 1.633 20 10 CDCDRO C[C@@]1(CO)C[N@H+](Cc2c([O-])cc(F)cc2F)CC[C@H]1O ZINC001140582869 936727152 /nfs/dbraw/zinc/72/71/52/936727152.db2.gz OHBUBKKRJYRBII-KGLIPLIRSA-N 1 0 287.306 1.236 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661648 936736604 /nfs/dbraw/zinc/73/66/04/936736604.db2.gz MWTVGRRIKYCDFZ-ZDUSSCGKSA-N 1 0 294.370 1.477 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749059 936749634 /nfs/dbraw/zinc/74/96/34/936749634.db2.gz PSUSYFPQAONFIX-GFCCVEGCSA-N 1 0 279.336 1.791 20 10 CDCDRO CN(C)c1ccc(CN2CCOC[C@@](C)(O)C2)c(Cl)c1 ZINC001140922085 936776634 /nfs/dbraw/zinc/77/66/34/936776634.db2.gz HAHIQEUDLPIIJH-HNNXBMFYSA-N 1 0 298.814 1.989 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC001141028570 936794125 /nfs/dbraw/zinc/79/41/25/936794125.db2.gz UYTQJZNIGHGMNP-LBPRGKRZSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(OC)c1 ZINC001141028967 936794126 /nfs/dbraw/zinc/79/41/26/936794126.db2.gz FTIAQOYOXNPTPE-QWRGUYRKSA-N 1 0 281.352 1.755 20 10 CDCDRO C[C@H]1C(=O)NCCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076674 936809755 /nfs/dbraw/zinc/80/97/55/936809755.db2.gz YXQMDSJELQUGTR-ZDUSSCGKSA-N 1 0 299.418 1.706 20 10 CDCDRO C[C@@H]1C(=O)NCCN1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076673 936809765 /nfs/dbraw/zinc/80/97/65/936809765.db2.gz YXQMDSJELQUGTR-CYBMUJFWSA-N 1 0 299.418 1.706 20 10 CDCDRO COCC[N@H+](Cc1cc(O)ccc1O)C1CCN(C)CC1 ZINC001141158617 936822102 /nfs/dbraw/zinc/82/21/02/936822102.db2.gz HDYOGVBGGCPVEK-UHFFFAOYSA-N 1 0 294.395 1.640 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](F)[C@H](O)C3)ccc21 ZINC001141141177 936818586 /nfs/dbraw/zinc/81/85/86/936818586.db2.gz VXQOTAJXWQVYJZ-GXTWGEPZSA-N 1 0 280.343 1.420 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC4(COC4)C3)ccc21 ZINC001141141025 936818951 /nfs/dbraw/zinc/81/89/51/936818951.db2.gz SHXULWUNQJWNSR-UHFFFAOYSA-N 1 0 274.364 1.738 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160985 936822801 /nfs/dbraw/zinc/82/28/01/936822801.db2.gz LPUHGBPWVUZOAZ-LOWVWBTDSA-N 1 0 291.347 1.871 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141163214 936824035 /nfs/dbraw/zinc/82/40/35/936824035.db2.gz VQXLUDHCVOMPAY-AWEZNQCLSA-N 1 0 265.309 1.483 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(O)c2O)C1 ZINC000837187794 936832085 /nfs/dbraw/zinc/83/20/85/936832085.db2.gz BJRSYVGNQMABAJ-NSHDSACASA-N 1 0 278.352 1.653 20 10 CDCDRO N=c1cc(C[NH3+])ccn1C(=O)c1ccc(O)c(O)c1Cl ZINC001193236504 923558049 /nfs/dbraw/zinc/55/80/49/923558049.db2.gz FUSFHFWHEKOSNH-UHFFFAOYSA-N 1 0 293.710 1.179 20 10 CDCDRO Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(O)c1O ZINC000923275037 923691369 /nfs/dbraw/zinc/69/13/69/923691369.db2.gz XWRDBMCBOLIUMU-NWDGAFQWSA-N 1 0 290.363 1.715 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840092918 936937379 /nfs/dbraw/zinc/93/73/79/936937379.db2.gz YZPVLGIVBPNFOX-DOMZBBRYSA-N 1 0 292.379 1.344 20 10 CDCDRO COc1cc(CN2CC(=O)N[C@H](C)C2)c(O)cc1C ZINC000840135204 936940322 /nfs/dbraw/zinc/94/03/22/936940322.db2.gz RQMFYKKQHGZMSE-SNVBAGLBSA-N 1 0 264.325 1.030 20 10 CDCDRO CCOC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835130 925387036 /nfs/dbraw/zinc/38/70/36/925387036.db2.gz RVKLPMRJWGCSQQ-BLLLJJGKSA-N 1 0 294.395 1.717 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)NCCCSc1nccs1 ZINC000841858135 937018902 /nfs/dbraw/zinc/01/89/02/937018902.db2.gz TYGRYHSEAVOWQT-VIFPVBQESA-N 1 0 288.442 1.519 20 10 CDCDRO C[C@@H](NC(=O)NCC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841881654 937020311 /nfs/dbraw/zinc/02/03/11/937020311.db2.gz BGPUIJFGYVVHKF-LLVKDONJSA-N 1 0 276.384 1.332 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000841829320 937016496 /nfs/dbraw/zinc/01/64/96/937016496.db2.gz 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ZINC000858546955 928882566 /nfs/dbraw/zinc/88/25/66/928882566.db2.gz BJFPSVWJTNVURJ-WZRBSPASSA-N 1 0 294.370 1.736 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccccc1O ZINC000697579824 937283918 /nfs/dbraw/zinc/28/39/18/937283918.db2.gz OIZLBUXYXLFFQB-PWSUYJOCSA-N 1 0 271.382 1.866 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000691483064 929005911 /nfs/dbraw/zinc/00/59/11/929005911.db2.gz NPGJVQALQDDNJJ-JTQLQIEISA-N 1 0 250.342 1.521 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCC[S@@](C)=O)c1 ZINC000116918289 929055539 /nfs/dbraw/zinc/05/55/39/929055539.db2.gz DONDYNUCCXCJSV-SFHVURJKSA-N 1 0 271.382 1.649 20 10 CDCDRO C[S@](=O)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000116918512 929056030 /nfs/dbraw/zinc/05/60/30/929056030.db2.gz XUKIMPFDZKYKNS-HXUWFJFHSA-N 1 0 296.436 1.381 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1OC ZINC000862527614 929421806 /nfs/dbraw/zinc/42/18/06/929421806.db2.gz CYGKMJCKLQOFQZ-JGZJWPJOSA-N 1 0 267.325 1.270 20 10 CDCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205967652 930140446 /nfs/dbraw/zinc/14/04/46/930140446.db2.gz TZJSXXZLXSPDEG-UKRRQHHQSA-N 1 0 278.396 1.584 20 10 CDCDRO COc1cc(CN2CC[C@H](S(C)(=O)=O)C2)c(O)cc1C ZINC000799951362 937401966 /nfs/dbraw/zinc/40/19/66/937401966.db2.gz UMFJKWPUFMEQJM-LBPRGKRZSA-N 1 0 299.392 1.328 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001205973274 930437054 /nfs/dbraw/zinc/43/70/54/930437054.db2.gz MZKBAKUHSVMVOX-MWLCHTKSSA-N 1 0 291.178 1.593 20 10 CDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122172 930766304 /nfs/dbraw/zinc/76/63/04/930766304.db2.gz RZAYCPAJVGIGEU-CYBMUJFWSA-N 1 0 296.386 1.647 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000819373101 930799941 /nfs/dbraw/zinc/79/99/41/930799941.db2.gz BFUDJVAJVHXMIA-ZDUSSCGKSA-N 1 0 298.452 1.626 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[NH2+]C(C)(C)C)c1 ZINC001116407139 937446886 /nfs/dbraw/zinc/44/68/86/937446886.db2.gz ISYXOMHDJKEXCX-SNVBAGLBSA-N 1 0 280.368 1.966 20 10 CDCDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O ZINC001116852124 937476242 /nfs/dbraw/zinc/47/62/42/937476242.db2.gz UBZRSNLIMRCQMA-NEPJUHHUSA-N 1 0 278.352 1.700 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824701724 931480194 /nfs/dbraw/zinc/48/01/94/931480194.db2.gz FPULQLCFJLTUNA-UHFFFAOYSA-N 1 0 270.760 1.922 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1 ZINC000824709754 931480757 /nfs/dbraw/zinc/48/07/57/931480757.db2.gz SOPORLWCWYIYDE-IAQYHMDHSA-N 1 0 281.352 1.542 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](C)O ZINC000824921095 931486338 /nfs/dbraw/zinc/48/63/38/931486338.db2.gz FEFOYLJDACFGGF-ONGXEEELSA-N 1 0 269.341 1.658 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000825278902 931498797 /nfs/dbraw/zinc/49/87/97/931498797.db2.gz KTIZJJSADZDOMF-CQSZACIVSA-N 1 0 291.395 1.936 20 10 CDCDRO CCOc1cccc(C[NH+]2CC3(CCN3C)C2)c1O ZINC001275271407 931719940 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CCN1C[C@@H](C[NH2+]Cc2cc(C)ccc2O)CC1=O ZINC000846095006 931970426 /nfs/dbraw/zinc/97/04/26/931970426.db2.gz VXYCGDMTSXCCRQ-GFCCVEGCSA-N 1 0 262.353 1.659 20 10 CDCDRO CCc1nncn1CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148591 931981018 /nfs/dbraw/zinc/98/10/18/931981018.db2.gz REXUSQNRVSPFLU-NSHDSACASA-N 1 0 290.367 1.906 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c1O ZINC000846160358 931982160 /nfs/dbraw/zinc/98/21/60/931982160.db2.gz UPEWVEFJTYBAJQ-SECBINFHSA-N 1 0 266.341 1.563 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2COCCO2)c1O ZINC000846142601 931987363 /nfs/dbraw/zinc/98/73/63/931987363.db2.gz FQOJRFJEEQGNQW-MNOVXSKESA-N 1 0 267.325 1.467 20 10 CDCDRO CN1CCCc2cc(CN[C@H]3C[NH2+]CCOC3)ccc21 ZINC000925532354 932899937 /nfs/dbraw/zinc/89/99/37/932899937.db2.gz RHBRIQSVGHMUQS-HNNXBMFYSA-N 1 0 275.396 1.147 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC001119444644 937720821 /nfs/dbraw/zinc/72/08/21/937720821.db2.gz AMOYHAAPWQLMTB-UHFFFAOYSA-N 1 0 279.336 1.752 20 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20 10 CDCDRO C[C@H]1CN(C2C[NH+](Cc3ccccc3O)C2)C[C@H](C)O1 ZINC001203563054 939693584 /nfs/dbraw/zinc/69/35/84/939693584.db2.gz UFIDMJTUEKZQSM-STQMWFEESA-N 1 0 276.380 1.686 20 10 CDCDRO COc1cccc(C[N@H+]2CCc3nccn3CC2)c1O ZINC001203597168 939695328 /nfs/dbraw/zinc/69/53/28/939695328.db2.gz WWBGQLYXXIZWRO-UHFFFAOYSA-N 1 0 273.336 1.656 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c1O ZINC001203600207 939695572 /nfs/dbraw/zinc/69/55/72/939695572.db2.gz XFOUICGLFBRHDT-CQSZACIVSA-N 1 0 292.379 1.844 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1O ZINC001203602971 939696154 /nfs/dbraw/zinc/69/61/54/939696154.db2.gz DOPYZBDCNAUTPW-HOCLYGCPSA-N 1 0 295.379 1.356 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)c1O ZINC001203614598 939696728 /nfs/dbraw/zinc/69/67/28/939696728.db2.gz BBPMSCPFEAMPGP-GFCCVEGCSA-N 1 0 292.379 1.844 20 10 CDCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)O1 ZINC001203878834 939711027 /nfs/dbraw/zinc/71/10/27/939711027.db2.gz DGXAZJMVEXMPLW-HNNXBMFYSA-N 1 0 277.320 1.769 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1O ZINC001203882026 939711300 /nfs/dbraw/zinc/71/13/00/939711300.db2.gz ZSPZXHZMXBNJJB-GFCCVEGCSA-N 1 0 274.324 1.526 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937158 939715280 /nfs/dbraw/zinc/71/52/80/939715280.db2.gz NVUVCNVUJFUYDZ-INIZCTEOSA-N 1 0 275.396 1.805 20 10 CDCDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)cc(O)c1O ZINC001204345732 939757984 /nfs/dbraw/zinc/75/79/84/939757984.db2.gz AUDXYLJYYMTCQV-UHFFFAOYSA-N 1 0 294.395 1.880 20 10 CDCDRO COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc(O)c1O ZINC001204346741 939759064 /nfs/dbraw/zinc/75/90/64/939759064.db2.gz XXIMOXKGDIWCRQ-NWDGAFQWSA-N 1 0 278.352 1.242 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(O)c(O)c(O)c1 ZINC001205082560 939821117 /nfs/dbraw/zinc/82/11/17/939821117.db2.gz GKDDIMKDDYXQSF-WPRPVWTQSA-N 1 0 252.314 1.115 20 10 CDCDRO [NH3+][C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001205109890 939823205 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Oc1cc(O)c(C[NH+]2CCC(CF)CC2)cc1O ZINC001233485869 943594370 /nfs/dbraw/zinc/59/43/70/943594370.db2.gz OBACCDAFAFUBFQ-UHFFFAOYSA-N 1 0 255.289 1.985 20 10 CDCDRO c1c(CN2C[C@@H]3C[C@H]2C[NH2+]3)cc2c3c1CCCN3CCC2 ZINC001235414606 944149638 /nfs/dbraw/zinc/14/96/38/944149638.db2.gz UMFFHUGYPMOHSZ-IRXDYDNUSA-N 1 0 283.419 1.932 20 10 CDCDRO Oc1cc(C(F)(F)F)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236291310 944449865 /nfs/dbraw/zinc/44/98/65/944449865.db2.gz LKFZUUMQQDHBNW-KOLCDFICSA-N 1 0 272.270 1.815 20 10 CDCDRO CCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000393140741 944480551 /nfs/dbraw/zinc/48/05/51/944480551.db2.gz XSEQTVUUICBUKF-UHFFFAOYSA-N 1 0 250.342 1.619 20 10 CDCDRO C[C@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@H](C)[NH2+]1 ZINC001236424615 944493389 /nfs/dbraw/zinc/49/33/89/944493389.db2.gz OPXDGGMOVJUKPZ-STQMWFEESA-N 1 0 275.396 1.697 20 10 CDCDRO CCc1ccc(CN(CC)CC(=O)OC)c(O)c1 ZINC001236786997 944568765 /nfs/dbraw/zinc/56/87/65/944568765.db2.gz GIRQKDTXNHFZGF-UHFFFAOYSA-N 1 0 251.326 1.950 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001237050684 944647136 /nfs/dbraw/zinc/64/71/36/944647136.db2.gz UILBWMLKKGZNRZ-JKSUJKDBSA-N 1 0 295.379 1.356 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001237496564 944817346 /nfs/dbraw/zinc/81/73/46/944817346.db2.gz ZDOLMJGHZIRGPU-CQSZACIVSA-N 1 0 287.363 1.664 20 10 CDCDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)CO)c1O ZINC001237679711 944924451 /nfs/dbraw/zinc/92/44/51/944924451.db2.gz LBAUYZPQOWPCNY-LLVKDONJSA-N 1 0 259.733 1.139 20 10 CDCDRO Cc1c(O)ccc(NS(=O)(=O)CC2CC[NH2+]CC2)c1C ZINC001237701194 944935575 /nfs/dbraw/zinc/93/55/75/944935575.db2.gz NIAIFFSNHSFEJN-UHFFFAOYSA-N 1 0 298.408 1.750 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(F)cc(C)c1O ZINC001238063528 945045449 /nfs/dbraw/zinc/04/54/49/945045449.db2.gz YAANJNPUCKPXIV-UHFFFAOYSA-N 1 0 254.305 1.408 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC001262488008 946683258 /nfs/dbraw/zinc/68/32/58/946683258.db2.gz MYKIMQDLSUXFQG-KRWDZBQOSA-N 1 0 289.423 1.956 20 10 CDCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001254321537 947360897 /nfs/dbraw/zinc/36/08/97/947360897.db2.gz IUYBXZIMLBBXAW-CQSZACIVSA-N 1 0 291.372 1.822 20 10 CDCDRO Oc1cc(O)c(CC[NH2+]C2CCC3(COC3)CC2)cc1O ZINC001257897643 948657266 /nfs/dbraw/zinc/65/72/66/948657266.db2.gz IWFLPIANWZUVIQ-UHFFFAOYSA-N 1 0 293.363 1.895 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249177531 949443348 /nfs/dbraw/zinc/44/33/48/949443348.db2.gz CBADBZOQFMSWAZ-CYBMUJFWSA-N 1 0 293.363 1.576 20 10 CDCDRO Oc1cccc2c1C[N@H+](C[C@@H](O)C(F)(F)F)CC2 ZINC001250973425 950510253 /nfs/dbraw/zinc/51/02/53/950510253.db2.gz CEEYENWIICAILZ-LLVKDONJSA-N 1 0 261.243 1.674 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C2)cc1 ZINC001325853979 954107905 /nfs/dbraw/zinc/10/79/05/954107905.db2.gz INZWLBAERMSZFF-MGPQQGTHSA-N 1 0 278.396 1.880 20 10 CDCDRO Oc1cc(Cl)ccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC001308732755 956571996 /nfs/dbraw/zinc/57/19/96/956571996.db2.gz UWLZUTBNJMKAQE-UHFFFAOYSA-N 1 0 296.798 2.000 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]Cc2nc(CO)cs2)c1 ZINC001308869120 956591707 /nfs/dbraw/zinc/59/17/07/956591707.db2.gz LVHDNYFPRXYRLE-UHFFFAOYSA-N 1 0 264.350 1.939 20 10 CDCDRO C=CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001335323605 959709919 /nfs/dbraw/zinc/70/99/19/959709919.db2.gz GXVLFKSCHBBUNG-AWEZNQCLSA-N 1 0 261.369 1.658 20 10 CDCDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001335327251 959714669 /nfs/dbraw/zinc/71/46/69/959714669.db2.gz KBLNLGCRSBZKTN-UHFFFAOYSA-N 1 0 290.411 1.941 20 10 CDCDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)C[NH+]1CCCC1 ZINC001335400739 959777310 /nfs/dbraw/zinc/77/73/10/959777310.db2.gz SKKJZXQPIKFGDG-CYBMUJFWSA-N 1 0 290.411 1.800 20 10 CDCDRO CC1([NH3+])CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001338791864 961995804 /nfs/dbraw/zinc/99/58/04/961995804.db2.gz ARMOMJXULIPXNE-UHFFFAOYSA-N 1 0 262.357 1.292 20 10 CDCDRO CN(C)c1ccc(CNc2nccnc2C[NH3+])cc1 ZINC001347866068 965731052 /nfs/dbraw/zinc/73/10/52/965731052.db2.gz HQDGPMQBWZVROP-UHFFFAOYSA-N 1 0 257.341 1.613 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1 ZINC001352786838 967478659 /nfs/dbraw/zinc/47/86/59/967478659.db2.gz AZHSJXBYHVOJAE-CQSZACIVSA-N 1 0 262.353 1.996 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC001353501355 968023025 /nfs/dbraw/zinc/02/30/25/968023025.db2.gz HZMLYUNXOHUKKL-JTQLQIEISA-N 1 0 272.299 1.051 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1 ZINC000848565647 969177942 /nfs/dbraw/zinc/17/79/42/969177942.db2.gz KNJCGKOAFCVFDL-LBPRGKRZSA-N 1 0 272.352 1.476 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCc3nc(C)nn3C2)c1O ZINC000848894249 969340660 /nfs/dbraw/zinc/34/06/60/969340660.db2.gz HDTHBKANWFLSIQ-CQSZACIVSA-N 1 0 286.379 1.959 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(F)CC[NH2+]C1 ZINC001573786568 1170774550 /nfs/dbraw/zinc/77/45/50/1170774550.db2.gz VRTRVDHIWCRFQO-AWEZNQCLSA-N 1 0 287.331 1.196 20 10 CDCDRO CC1(C)C[NH2+]CC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC001576478863 1171433722 /nfs/dbraw/zinc/43/37/22/1171433722.db2.gz RGJYYQCZTFCHDN-VIFPVBQESA-N 1 0 268.382 1.962 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(C)ccc1O ZINC000133409690 398206454 /nfs/dbraw/zinc/20/64/54/398206454.db2.gz QCJDDYHKWFGMKE-UHFFFAOYSA-N 1 0 253.342 1.795 20 10 CDCDRO COc1cccc(CNc2cc[nH+]cc2C(N)=O)c1O ZINC000302223372 346028251 /nfs/dbraw/zinc/02/82/51/346028251.db2.gz NMQIAOMANCHCSR-UHFFFAOYSA-N 1 0 273.292 1.507 20 10 CDCDRO COc1cc(C[NH2+]CC2(O)CNC2)c(O)c(C(C)(C)C)c1 ZINC001579152743 1172108747 /nfs/dbraw/zinc/10/87/47/1172108747.db2.gz FOODGVICZSAKAH-UHFFFAOYSA-N 1 0 294.395 1.122 20 10 CDCDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccc(N)cc1 ZINC001579336935 1172151575 /nfs/dbraw/zinc/15/15/75/1172151575.db2.gz KZHHICCYQGOZMP-UHFFFAOYSA-N 1 0 270.398 1.573 20 10 CDCDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccccc1O ZINC000036781520 356883528 /nfs/dbraw/zinc/88/35/28/356883528.db2.gz LTLYNFMNPCXMHQ-GFCCVEGCSA-N 1 0 250.342 1.958 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCS(C)(=O)=O)c1 ZINC000037740489 356922138 /nfs/dbraw/zinc/92/21/38/356922138.db2.gz POXKQYJCRRIGHY-SECBINFHSA-N 1 0 273.354 1.096 20 10 CDCDRO COCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179896223 357230008 /nfs/dbraw/zinc/23/00/08/357230008.db2.gz BDTLEELCUNMDTD-UHFFFAOYSA-N 1 0 268.332 1.295 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cc(F)ccc1O ZINC000179970428 357233565 /nfs/dbraw/zinc/23/35/65/357233565.db2.gz NNVHTTJMSASAFP-UHFFFAOYSA-N 1 0 254.305 1.489 20 10 CDCDRO CCCCC[N@H+](CC(N)=O)Cc1ccccc1O ZINC000180809199 357289744 /nfs/dbraw/zinc/28/97/44/357289744.db2.gz OWXDTERITCHPCF-UHFFFAOYSA-N 1 0 250.342 1.870 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000180829458 357290446 /nfs/dbraw/zinc/29/04/46/357290446.db2.gz LTUUVDDESXPPSX-GFCCVEGCSA-N 1 0 257.330 1.489 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC2(C(=O)OC)CC2)c1 ZINC000188684167 357926220 /nfs/dbraw/zinc/92/62/20/357926220.db2.gz QBPHGTQDIOWSAS-UHFFFAOYSA-N 1 0 279.336 1.834 20 10 CDCDRO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000188920228 357952261 /nfs/dbraw/zinc/95/22/61/357952261.db2.gz PMJUVKLSFCYRNO-ZDUSSCGKSA-N 1 0 262.353 1.739 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000364514570 358438114 /nfs/dbraw/zinc/43/81/14/358438114.db2.gz XYEFSIPFAQXRTJ-LBPRGKRZSA-N 1 0 274.324 1.439 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c(O)c1 ZINC000294911960 199243611 /nfs/dbraw/zinc/24/36/11/199243611.db2.gz WOAFGCRPZUIHNT-DOMZBBRYSA-N 1 0 265.353 1.811 20 10 CDCDRO CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000124563107 360377552 /nfs/dbraw/zinc/37/75/52/360377552.db2.gz AVGRTOFFAAQUSK-AWEZNQCLSA-N 1 0 263.385 1.709 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[NH+](C)C ZINC000171198067 365224692 /nfs/dbraw/zinc/22/46/92/365224692.db2.gz XUENSXBOKSPNLJ-UHFFFAOYSA-N 1 0 250.342 1.692 20 10 CDCDRO CCOc1cccc(C[NH2+]C2(CO)CCOCC2)c1O ZINC000227213965 367390928 /nfs/dbraw/zinc/39/09/28/367390928.db2.gz HTDWLCUNBZCZOJ-UHFFFAOYSA-N 1 0 281.352 1.422 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000282407150 367870290 /nfs/dbraw/zinc/87/02/90/367870290.db2.gz CYUHDRVVCJWSBR-LBPRGKRZSA-N 1 0 269.366 1.320 20 10 CDCDRO C[C@@H]([NH2+]Cc1cnnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000287167643 369109552 /nfs/dbraw/zinc/10/95/52/369109552.db2.gz BYWUIEYTZZIRON-MRVPVSSYSA-N 1 0 277.284 1.280 20 10 CDCDRO Cc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1N(C)C ZINC000293003622 370480776 /nfs/dbraw/zinc/48/07/76/370480776.db2.gz HAHAWNPJDZSLKA-UHFFFAOYSA-N 1 0 261.369 1.383 20 10 CDCDRO CC(C)[NH2+]CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000580726194 372673657 /nfs/dbraw/zinc/67/36/57/372673657.db2.gz KRLNSBCGUCDZKM-UHFFFAOYSA-N 1 0 277.368 1.476 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000163297747 377532336 /nfs/dbraw/zinc/53/23/36/377532336.db2.gz YCCPZARVMXMIJQ-GHMZBOCLSA-N 1 0 251.326 1.915 20 10 CDCDRO Cc1cc(C[N@@H+](CCO)C[C@@H](C)O)ccc1N(C)C ZINC000293652647 378593729 /nfs/dbraw/zinc/59/37/29/378593729.db2.gz SNFCJGUMEJNZAA-CYBMUJFWSA-N 1 0 266.385 1.236 20 10 CDCDRO COC[C@H](C)OC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000278349025 522633751 /nfs/dbraw/zinc/63/37/51/522633751.db2.gz MMYYSWUWWYNZIX-GXTWGEPZSA-N 1 0 283.368 1.236 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(OC)c1O ZINC000105650383 390516333 /nfs/dbraw/zinc/51/63/33/390516333.db2.gz QXACAXNZODDWPU-ZDUSSCGKSA-N 1 0 292.379 1.891 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1cccc(OCC)c1O ZINC000133622821 390904011 /nfs/dbraw/zinc/90/40/11/390904011.db2.gz XKEDQNPINOGUID-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO C[N@H+](CCCN1CCOCC1)Cc1ccccc1O ZINC000173358968 391105307 /nfs/dbraw/zinc/10/53/07/391105307.db2.gz STBLWTAJZZZYCT-UHFFFAOYSA-N 1 0 264.369 1.546 20 10 CDCDRO CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)[NH+](C)C ZINC000182513774 391235974 /nfs/dbraw/zinc/23/59/74/391235974.db2.gz MQWJGIGGQHHRJY-JTQLQIEISA-N 1 0 252.314 1.054 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000179468657 391206187 /nfs/dbraw/zinc/20/61/87/391206187.db2.gz JEQRBJNJVCBRCW-CYBMUJFWSA-N 1 0 288.351 1.829 20 10 CDCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1CCOCC1 ZINC000183547641 391267056 /nfs/dbraw/zinc/26/70/56/391267056.db2.gz FTHRPIQNRPSJDJ-OCCSQVGLSA-N 1 0 292.379 1.680 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCO2)c(O)c1 ZINC000038060608 174071552 /nfs/dbraw/zinc/07/15/52/174071552.db2.gz RLFHSVPDHPZQPY-NEPJUHHUSA-N 1 0 251.326 1.767 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000038082635 174092144 /nfs/dbraw/zinc/09/21/44/174092144.db2.gz FHBGCKWSUQTKMO-QWRGUYRKSA-N 1 0 269.366 1.478 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000312742355 260195687 /nfs/dbraw/zinc/19/56/87/260195687.db2.gz VODJJJJNDCHQEQ-MRXNPFEDSA-N 1 0 276.380 1.928 20 10 CDCDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126387422 260349637 /nfs/dbraw/zinc/34/96/37/260349637.db2.gz OJXIPGWCKDZEHN-NSHDSACASA-N 1 0 278.352 1.654 20 10 CDCDRO COc1cccc(C[N@H+](C)CCN2CCOCC2)c1O ZINC000092974874 260505914 /nfs/dbraw/zinc/50/59/14/260505914.db2.gz WNESPAGDBXUTHD-UHFFFAOYSA-N 1 0 280.368 1.165 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000158195597 261161058 /nfs/dbraw/zinc/16/10/58/261161058.db2.gz KVADNDFUISAULL-UHFFFAOYSA-N 1 0 284.375 1.987 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@]2(CO)CCOC2)c(O)c1 ZINC000184197356 262011903 /nfs/dbraw/zinc/01/19/03/262011903.db2.gz UWTNYOQJXHZBMB-HNNXBMFYSA-N 1 0 281.352 1.422 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c(O)c1 ZINC000186178287 262083447 /nfs/dbraw/zinc/08/34/47/262083447.db2.gz ZHKCYZROLNUMLE-BXUZGUMPSA-N 1 0 251.326 1.503 20 10 CDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299548668 263246291 /nfs/dbraw/zinc/24/62/91/263246291.db2.gz QEDDYZLZRDDOSF-INIZCTEOSA-N 1 0 287.407 1.997 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC([C@H]3CCOC3)C2)cc1OC ZINC000368441483 267172898 /nfs/dbraw/zinc/17/28/98/267172898.db2.gz LKLNDBZDSVNTQH-NSHDSACASA-N 1 0 293.363 1.878 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC000371331437 267391485 /nfs/dbraw/zinc/39/14/85/267391485.db2.gz HVNYHGRETPDDNT-UHFFFAOYSA-N 1 0 291.347 1.930 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1C ZINC000377188630 268054667 /nfs/dbraw/zinc/05/46/67/268054667.db2.gz AIVOUXUWKFPWDG-LBPRGKRZSA-N 1 0 262.353 1.706 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000062973060 329356707 /nfs/dbraw/zinc/35/67/07/329356707.db2.gz FZEWDKANLDFEGF-OAHLLOKOSA-N 1 0 273.380 1.508 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(O)CCOCC2)c1 ZINC000162319660 330901555 /nfs/dbraw/zinc/90/15/55/330901555.db2.gz SWXJQXKMJOLTNG-UHFFFAOYSA-N 1 0 267.325 1.032 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(OC)cc2O)C[C@H]1C ZINC000250265429 1159242400 /nfs/dbraw/zinc/24/24/00/1159242400.db2.gz KITURBVCJSMZJV-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1 ZINC000271171189 482832070 /nfs/dbraw/zinc/83/20/70/482832070.db2.gz IVFVUWDOIPTWAF-LBPRGKRZSA-N 1 0 298.408 1.201 20 10 CDCDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(N)cc1 ZINC000037001267 519775284 /nfs/dbraw/zinc/77/52/84/519775284.db2.gz DPSVMACQUIMVFT-HNNXBMFYSA-N 1 0 277.412 1.904 20 10 CDCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000236787239 519730293 /nfs/dbraw/zinc/73/02/93/519730293.db2.gz UHDDTXULRRBJBD-HNNXBMFYSA-N 1 0 289.423 1.905 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000791007469 1162180400 /nfs/dbraw/zinc/18/04/00/1162180400.db2.gz WZWRFLGRACDCFK-OAHLLOKOSA-N 1 0 297.395 1.513 20 10 CDCDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000290736973 520414164 /nfs/dbraw/zinc/41/41/64/520414164.db2.gz ZEMDSLBOOJLONV-LLVKDONJSA-N 1 0 280.368 1.948 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCOCCOC)c1 ZINC000290068456 521139312 /nfs/dbraw/zinc/13/93/12/521139312.db2.gz FSYVCLAHZGZARE-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[NH3+] ZINC000236916115 521287093 /nfs/dbraw/zinc/28/70/93/521287093.db2.gz MJKRRCPJQDVWBY-UHFFFAOYSA-N 1 0 287.157 1.462 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCC[C@H](C)O)cc1OC ZINC000279347753 522778701 /nfs/dbraw/zinc/77/87/01/522778701.db2.gz FQMGWCSVQAOHTL-JTQLQIEISA-N 1 0 269.341 1.660 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC1(O)CCCC1 ZINC000093503218 523184640 /nfs/dbraw/zinc/18/46/40/523184640.db2.gz HGWDLICRECXOFV-UHFFFAOYSA-N 1 0 279.336 1.858 20 10 CDCDRO C[C@H](CCCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000094941933 524149529 /nfs/dbraw/zinc/14/95/29/524149529.db2.gz UCHZATBTZBMSNF-SECBINFHSA-N 1 0 253.298 1.372 20 10 CDCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(F)ccc1O ZINC000279479611 524621950 /nfs/dbraw/zinc/62/19/50/524621950.db2.gz TXDWGFRQQAXZBY-LBPRGKRZSA-N 1 0 282.359 1.684 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275690332 524746105 /nfs/dbraw/zinc/74/61/05/524746105.db2.gz ASASWIXMKUFZCF-AWEZNQCLSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCCNC2=O)c1 ZINC000036977197 524774029 /nfs/dbraw/zinc/77/40/29/524774029.db2.gz PEDRWSPSDWCGJH-GWCFXTLKSA-N 1 0 278.352 1.720 20 10 CDCDRO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000237528273 524786814 /nfs/dbraw/zinc/78/68/14/524786814.db2.gz LKHKLZSRCSCJRB-WFASDCNBSA-N 1 0 275.396 1.752 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@]2(CCOC2)O1 ZINC000280321979 525017030 /nfs/dbraw/zinc/01/70/30/525017030.db2.gz QKIZMKUOZHDVNU-IUODEOHRSA-N 1 0 263.337 1.772 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccccc1O ZINC000068800507 525505554 /nfs/dbraw/zinc/50/55/54/525505554.db2.gz MLCJIKCUKIHMPS-OLZOCXBDSA-N 1 0 263.385 1.289 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299546572 526753696 /nfs/dbraw/zinc/75/36/96/526753696.db2.gz WLRZPGNSSLTWNK-ZIAGYGMSSA-N 1 0 289.379 1.818 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000364465132 527478974 /nfs/dbraw/zinc/47/89/74/527478974.db2.gz ISESDGKTGSYDJG-AWEZNQCLSA-N 1 0 261.369 1.460 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC[N@H+]1CC=CCC1 ZINC000280195418 527613556 /nfs/dbraw/zinc/61/35/56/527613556.db2.gz JJTWOAPRGZJDRR-FNORWQNLSA-N 1 0 288.347 1.489 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(C)C2)c(O)c1 ZINC000729682583 574820573 /nfs/dbraw/zinc/82/05/73/574820573.db2.gz WBGGDUGZICEJED-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000732289060 575087081 /nfs/dbraw/zinc/08/70/81/575087081.db2.gz KCHSRGOZQXIVOT-VXGBXAGGSA-N 1 0 296.392 1.125 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@](C)(O)COC)ccc1OC ZINC000732672541 575093544 /nfs/dbraw/zinc/09/35/44/575093544.db2.gz REDVGIBMKWYGDS-INIZCTEOSA-N 1 0 297.395 1.719 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCC[S@](C)=O ZINC000735085301 575423786 /nfs/dbraw/zinc/42/37/86/575423786.db2.gz QAYPUJITPTVNHT-KRWDZBQOSA-N 1 0 257.355 1.259 20 10 CDCDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000770484185 575455110 /nfs/dbraw/zinc/45/51/10/575455110.db2.gz AYLXRVGMWHBZIA-UHFFFAOYSA-N 1 0 292.379 1.963 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(CO)CC2)c(O)c1 ZINC000768240772 576266636 /nfs/dbraw/zinc/26/66/36/576266636.db2.gz FPZDVGWZBFZKBV-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO C[C@@H]1COCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462449 576286738 /nfs/dbraw/zinc/28/67/38/576286738.db2.gz LMTKLDPXELFCSG-YGRLFVJLSA-N 1 0 279.336 1.429 20 10 CDCDRO COc1cccc(C[N@H+](CCCO)C2CC2)c1O ZINC000769404617 576352334 /nfs/dbraw/zinc/35/23/34/576352334.db2.gz MLFTYRPIQHHPBJ-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CCOc1ccc(C[NH2+]CCc2ccn(C)n2)c(O)c1 ZINC000760650635 576499252 /nfs/dbraw/zinc/49/92/52/576499252.db2.gz UDOPDQSNCVXGDH-UHFFFAOYSA-N 1 0 275.352 1.857 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(F)ccc1O ZINC000756546934 576994488 /nfs/dbraw/zinc/99/44/88/576994488.db2.gz WARSBLHZHJCXGI-NWDGAFQWSA-N 1 0 282.359 1.903 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c(O)c1C ZINC000756554803 576995440 /nfs/dbraw/zinc/99/54/40/576995440.db2.gz JEMUODOSNHXXPQ-QWHCGFSZSA-N 1 0 266.385 1.582 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNc2cnccn2)c1 ZINC000756647330 576998388 /nfs/dbraw/zinc/99/83/88/576998388.db2.gz SLZZHQTYMHINTK-LLVKDONJSA-N 1 0 288.351 1.954 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000756759998 577003417 /nfs/dbraw/zinc/00/34/17/577003417.db2.gz NAVIDBLQVSYGMK-OZVIIMIRSA-N 1 0 294.395 1.771 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000759173066 577156846 /nfs/dbraw/zinc/15/68/46/577156846.db2.gz MJKSDYNRISMDPS-TZMCWYRMSA-N 1 0 281.352 1.684 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000759174000 577157253 /nfs/dbraw/zinc/15/72/53/577157253.db2.gz SVOXJLYXRBBGSX-UKRRQHHQSA-N 1 0 265.353 1.984 20 10 CDCDRO Fc1cc(C[NH2+]C2CC2)ccc1N1CCOCC1 ZINC000034823053 617352683 /nfs/dbraw/zinc/35/26/83/617352683.db2.gz VSOONCMJFZTYDQ-UHFFFAOYSA-N 1 0 250.317 1.914 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)O)[NH+](C)C)cc1 ZINC000891247996 617391242 /nfs/dbraw/zinc/39/12/42/617391242.db2.gz JUIMOADQSGDVSY-AWEZNQCLSA-N 1 0 293.411 1.242 20 10 CDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892078841 617465644 /nfs/dbraw/zinc/46/56/44/617465644.db2.gz TUODXNMVRRYFJX-MFKMUULPSA-N 1 0 275.352 1.415 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)CC(N)=O ZINC000840892558 617670797 /nfs/dbraw/zinc/67/07/97/617670797.db2.gz AXWWRZSLJPJUBM-CHWSQXEVSA-N 1 0 277.412 1.846 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cc(C)no2)c(O)c1OC ZINC000893345811 617614726 /nfs/dbraw/zinc/61/47/26/617614726.db2.gz XUUIUTDGPRETBK-UHFFFAOYSA-N 1 0 278.308 1.996 20 10 CDCDRO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccccc1O ZINC000891976070 617918719 /nfs/dbraw/zinc/91/87/19/617918719.db2.gz JFXOWOPKYZIGPL-NSHDSACASA-N 1 0 277.368 1.752 20 10 CDCDRO CC[C@H](CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893013416 618055948 /nfs/dbraw/zinc/05/59/48/618055948.db2.gz JZTNMTMCVNICIF-LLVKDONJSA-N 1 0 269.341 1.660 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000795583998 618389490 /nfs/dbraw/zinc/38/94/90/618389490.db2.gz VDYNZBZUZVJZQW-NEPJUHHUSA-N 1 0 281.352 1.135 20 10 CDCDRO COc1cc(Cl)cc(CN[C@H]2CCC[NH2+]C2)c1O ZINC000841043531 618677848 /nfs/dbraw/zinc/67/78/48/618677848.db2.gz SIRQIIBWOIOFBT-NSHDSACASA-N 1 0 270.760 1.896 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+][C@@H](C)[C@H]2C)cc1OC ZINC000843057820 618691871 /nfs/dbraw/zinc/69/18/71/618691871.db2.gz LVOCMMDCIYRZKL-WDEREUQCSA-N 1 0 280.368 1.592 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000894458678 618897455 /nfs/dbraw/zinc/89/74/55/618897455.db2.gz VTLKVBIKTLVCEA-ZYHUDNBSSA-N 1 0 299.392 1.314 20 10 CDCDRO COc1ccc(CN[C@H](C)c2nnc(C)[nH]2)c(O)c1OC ZINC000894466822 618903699 /nfs/dbraw/zinc/90/36/99/618903699.db2.gz FDKQLFXTIOTMCW-MRVPVSSYSA-N 1 0 292.339 1.687 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC(=O)NC2CC2)c1O ZINC000894783601 619058944 /nfs/dbraw/zinc/05/89/44/619058944.db2.gz WJDWTZANZXLJBW-UHFFFAOYSA-N 1 0 264.325 1.077 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COCO2)cc1Cl ZINC000894886980 619122483 /nfs/dbraw/zinc/12/24/83/619122483.db2.gz YIGGIOONSCRPHT-SNVBAGLBSA-N 1 0 257.717 1.817 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000895030328 619217353 /nfs/dbraw/zinc/21/73/53/619217353.db2.gz IUPHFCXUACZJFC-UHFFFAOYSA-N 1 0 278.352 1.454 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC(C)=NO2)c1O ZINC000895299682 619530055 /nfs/dbraw/zinc/53/00/55/619530055.db2.gz MMRYWLOHLOXZLK-GFCCVEGCSA-N 1 0 264.325 1.964 20 10 CDCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000895329337 619568486 /nfs/dbraw/zinc/56/84/86/619568486.db2.gz JEYBUOOTQXQHAS-WCQYABFASA-N 1 0 271.744 1.363 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)=NO2)c(O)c1OC ZINC000895429725 619656563 /nfs/dbraw/zinc/65/65/63/619656563.db2.gz TWYUMBQGUYTMIU-NSHDSACASA-N 1 0 280.324 1.664 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c(O)c1OC ZINC000895778231 619840306 /nfs/dbraw/zinc/84/03/06/619840306.db2.gz DTSJVKVMBWBKTA-QWRGUYRKSA-N 1 0 267.325 1.412 20 10 CDCDRO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1O ZINC000895923326 619902010 /nfs/dbraw/zinc/90/20/10/619902010.db2.gz WQDSXNUJGWGSAD-IJLUTSLNSA-N 1 0 262.353 1.832 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCO[C@H]2CCOC2)c1O ZINC000897200066 620413235 /nfs/dbraw/zinc/41/32/35/620413235.db2.gz PRMMLAZOCJXNIL-ZDUSSCGKSA-N 1 0 281.352 1.604 20 10 CDCDRO COc1cc(O)c(CN[C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000841063919 621623667 /nfs/dbraw/zinc/62/36/67/621623667.db2.gz BXSYUINRDCCJBL-ZYHUDNBSSA-N 1 0 280.368 1.640 20 10 CDCDRO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1O ZINC000905359987 626769461 /nfs/dbraw/zinc/76/94/61/626769461.db2.gz QDUSVAMEGUAGRU-LLVKDONJSA-N 1 0 298.408 1.372 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000915830839 631834431 /nfs/dbraw/zinc/83/44/31/631834431.db2.gz VCCWZZSWECSESU-LBPRGKRZSA-N 1 0 278.352 1.549 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CNC(=O)C1 ZINC000398423860 1158767195 /nfs/dbraw/zinc/76/71/95/1158767195.db2.gz WIJTZMJNEZCAAD-IJLUTSLNSA-N 1 0 274.364 1.975 20 10 CDCDRO COc1cc(CN2CCC[NH2+]CC2)c(O)c(OC)c1 ZINC001204684930 1160355745 /nfs/dbraw/zinc/35/57/45/1160355745.db2.gz OTYXJSXOPMCVFJ-UHFFFAOYSA-N 1 0 266.341 1.205 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@]2(C)CO)c1O ZINC000789557806 1162096161 /nfs/dbraw/zinc/09/61/61/1162096161.db2.gz NQWCICIACXGJBN-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c(O)c1 ZINC000790936365 1162176710 /nfs/dbraw/zinc/17/67/10/1162176710.db2.gz FDTKYAGVEXVDOC-AWEZNQCLSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(C(=O)[O-])ccc1O ZINC001609774961 1165075540 /nfs/dbraw/zinc/07/55/40/1165075540.db2.gz XSSIJJDAFBGYEX-MRVPVSSYSA-N 1 0 252.314 1.478 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)c2c1c(F)ccc2O ZINC000872141219 1165384254 /nfs/dbraw/zinc/38/42/54/1165384254.db2.gz QYQDHCQDEOQGLF-BQKRADJCSA-N 1 0 281.327 1.819 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@H](O)c2ccccc2)c(O)c1 ZINC000035601342 1165745880 /nfs/dbraw/zinc/74/58/80/1165745880.db2.gz VWIJBGBQCGHFDU-HNNXBMFYSA-N 1 0 259.305 1.921 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000877533349 1166052448 /nfs/dbraw/zinc/05/24/48/1166052448.db2.gz NABVLIPZESCOIR-MNOVXSKESA-N 1 0 278.352 1.720 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[NH3+] ZINC000841824769 813148581 /nfs/dbraw/zinc/14/85/81/813148581.db2.gz TWGJDNYPJDDLDO-LLVKDONJSA-N 1 0 264.373 1.207 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758910 814343567 /nfs/dbraw/zinc/34/35/67/814343567.db2.gz DNLYHPMCRHEVID-LLVKDONJSA-N 1 0 282.363 1.428 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000846137636 805040641 /nfs/dbraw/zinc/04/06/41/805040641.db2.gz VGFXOSNGYDPMBP-QWRGUYRKSA-N 1 0 299.392 1.486 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000809751788 805063098 /nfs/dbraw/zinc/06/30/98/805063098.db2.gz KKSOFBYWIIPFTH-AWEZNQCLSA-N 1 0 251.326 1.604 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2OC)[C@@H]1C ZINC000787421508 805073154 /nfs/dbraw/zinc/07/31/54/805073154.db2.gz STHJNGAUVINHGA-MNOVXSKESA-N 1 0 279.336 1.784 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC000250071774 805275837 /nfs/dbraw/zinc/27/58/37/805275837.db2.gz OACKOOBBXCVHBD-RHSMWYFYSA-N 1 0 290.407 1.726 20 10 CDCDRO Cc1ccc(C[NH2+][C@]2(CCO)CCOC2)c(O)c1 ZINC000877481941 811083784 /nfs/dbraw/zinc/08/37/84/811083784.db2.gz YBFCQAZYOVKLCE-CQSZACIVSA-N 1 0 251.326 1.332 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c(O)c1 ZINC000858549689 811087116 /nfs/dbraw/zinc/08/71/16/811087116.db2.gz ZBQVFSRYWWYXPX-CHWSQXEVSA-N 1 0 264.369 1.418 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894307860 811124965 /nfs/dbraw/zinc/12/49/65/811124965.db2.gz NMPLUIXFQHRUAU-GFCCVEGCSA-N 1 0 283.368 1.850 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000802310478 811205210 /nfs/dbraw/zinc/20/52/10/811205210.db2.gz VYIXYZHNQVHVBZ-NGZCFLSTSA-N 1 0 269.316 1.677 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000075436232 811356729 /nfs/dbraw/zinc/35/67/29/811356729.db2.gz LNHATMRNMYJCTF-UHFFFAOYSA-N 1 0 278.352 1.488 20 10 CDCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000783744136 811536607 /nfs/dbraw/zinc/53/66/07/811536607.db2.gz SUHBBJCOGWBHJM-WBVHZDCISA-N 1 0 288.391 1.337 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000182557837 811570281 /nfs/dbraw/zinc/57/02/81/811570281.db2.gz PRFAPCZIIGCITO-CYBMUJFWSA-N 1 0 269.366 1.358 20 10 CDCDRO COC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000034961224 811763974 /nfs/dbraw/zinc/76/39/74/811763974.db2.gz XZTGVEIINCWHSR-VIFPVBQESA-N 1 0 253.298 1.615 20 10 CDCDRO O=C1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCCN1 ZINC000872826105 811802615 /nfs/dbraw/zinc/80/26/15/811802615.db2.gz VCYBMFVVZKTHGW-UHFFFAOYSA-N 1 0 274.364 1.593 20 10 CDCDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841953425 811807991 /nfs/dbraw/zinc/80/79/91/811807991.db2.gz HQZLXYCRFBCVJM-CQSZACIVSA-N 1 0 278.400 1.484 20 10 CDCDRO C[NH2+]CCC(=O)NCCCSc1nccs1 ZINC000829528700 811808009 /nfs/dbraw/zinc/80/80/09/811808009.db2.gz VKSWSHVPMYWRGT-UHFFFAOYSA-N 1 0 259.400 1.351 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@H](C)CCO)c1O ZINC000846111971 811808131 /nfs/dbraw/zinc/80/81/31/811808131.db2.gz SPUURJHEWWTMTA-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO OCCCN1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000824563998 811912639 /nfs/dbraw/zinc/91/26/39/811912639.db2.gz FDIKVFKMPJXERU-CQSZACIVSA-N 1 0 282.359 1.468 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000841062299 811939615 /nfs/dbraw/zinc/93/96/15/811939615.db2.gz IUCMPKHLNYWOGL-ONGXEEELSA-N 1 0 295.339 1.539 20 10 CDCDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000817412030 812075724 /nfs/dbraw/zinc/07/57/24/812075724.db2.gz BMKWQOQTDDGHHP-QWRGUYRKSA-N 1 0 253.317 1.982 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1C ZINC000930011817 812119386 /nfs/dbraw/zinc/11/93/86/812119386.db2.gz ODERZPGWQBXJHU-CYBMUJFWSA-N 1 0 264.369 1.993 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1 ZINC000311825367 812170265 /nfs/dbraw/zinc/17/02/65/812170265.db2.gz FJPIMNCESKPBHD-BXKDBHETSA-N 1 0 285.365 1.066 20 10 CDCDRO CCCCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772957 812269403 /nfs/dbraw/zinc/26/94/03/812269403.db2.gz ZEDRHGYBXYGIJA-UHFFFAOYSA-N 1 0 293.367 1.450 20 10 CDCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000854232529 812295691 /nfs/dbraw/zinc/29/56/91/812295691.db2.gz SDOLZRFNHIJQHK-UWVGGRQHSA-N 1 0 266.341 1.437 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@]2(OC)CCOC2)c1O ZINC000122879174 812342008 /nfs/dbraw/zinc/34/20/08/812342008.db2.gz IBVAOBGLZRPKQM-AWEZNQCLSA-N 1 0 267.325 1.296 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000843126587 812353549 /nfs/dbraw/zinc/35/35/49/812353549.db2.gz KYOKGEFZRDFVRA-AAEUAGOBSA-N 1 0 292.379 1.593 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827133318 812386509 /nfs/dbraw/zinc/38/65/09/812386509.db2.gz SPZCJGXMEFIKOK-JSGCOSHPSA-N 1 0 274.364 1.801 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873052320 812566169 /nfs/dbraw/zinc/56/61/69/812566169.db2.gz OFSHVTJPKMFATB-AWEZNQCLSA-N 1 0 275.396 1.819 20 10 CDCDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccccc2O)CC1 ZINC000817412587 812800976 /nfs/dbraw/zinc/80/09/76/812800976.db2.gz MWQRYZOOGMHAJQ-HAQNSBGRSA-N 1 0 262.353 1.774 20 10 CDCDRO Nc1ccc(CCNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000841955843 812824270 /nfs/dbraw/zinc/82/42/70/812824270.db2.gz PLXJIQTUQMNFPX-OAHLLOKOSA-N 1 0 290.411 1.643 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842722204 812864047 /nfs/dbraw/zinc/86/40/47/812864047.db2.gz ZXVXDOYMRCPTLN-LBPRGKRZSA-N 1 0 292.379 1.890 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCC[S@](C)=O)cc1OC ZINC000776208834 812867342 /nfs/dbraw/zinc/86/73/42/812867342.db2.gz LTLXXZUMLFMUKW-IBGZPJMESA-N 1 0 287.381 1.268 20 10 CDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000824708021 812873710 /nfs/dbraw/zinc/87/37/10/812873710.db2.gz COQHCPZQYYXFBZ-GOEBONIOSA-N 1 0 278.396 1.894 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](C)[NH3+])cc1 ZINC000827341169 812890978 /nfs/dbraw/zinc/89/09/78/812890978.db2.gz UBCJHGHPMAXTRI-GFCCVEGCSA-N 1 0 263.385 1.886 20 10 CDCDRO Cn1cc([C@@H]2CN(Cc3cc(F)ccc3O)C[C@H]2[NH3+])cn1 ZINC000818431378 812892582 /nfs/dbraw/zinc/89/25/82/812892582.db2.gz KBYORTQKCQWFFZ-UONOGXRCSA-N 1 0 290.342 1.192 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936006 812894335 /nfs/dbraw/zinc/89/43/35/812894335.db2.gz FSLVDBBEAGJENC-HNNXBMFYSA-N 1 0 266.385 1.548 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000228943645 812905162 /nfs/dbraw/zinc/90/51/62/812905162.db2.gz AYHPKPBYYXOVNR-SNVBAGLBSA-N 1 0 266.341 1.404 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(O)c1 ZINC000877413841 813018641 /nfs/dbraw/zinc/01/86/41/813018641.db2.gz SCCQEMPFTBKRLT-UHFFFAOYSA-N 1 0 271.320 1.755 20 10 CDCDRO Oc1cccc(Br)c1C[N@H+]1CC[C@H](O)C1 ZINC000862225634 813040576 /nfs/dbraw/zinc/04/05/76/813040576.db2.gz YOZBXZNEABWZMD-QMMMGPOBSA-N 1 0 272.142 1.721 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]CCOCCF)cc2)CC1 ZINC000877643327 813044590 /nfs/dbraw/zinc/04/45/90/813044590.db2.gz HSULLIHIXHBDPK-UHFFFAOYSA-N 1 0 296.386 1.723 20 10 CDCDRO OC/C=C\C[NH2+]Cc1cc(Br)ccc1O ZINC000717524347 813055393 /nfs/dbraw/zinc/05/53/93/813055393.db2.gz CNTQQNLJMVRPDO-UPHRSURJSA-N 1 0 272.142 1.793 20 10 CDCDRO COc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)c(O)c1 ZINC000040906567 813077112 /nfs/dbraw/zinc/07/71/12/813077112.db2.gz POXHFLYUPIGHLK-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)c2c1c(F)ccc2O ZINC000866421219 813098585 /nfs/dbraw/zinc/09/85/85/813098585.db2.gz XSULCXBUFYLBEX-LTGWCKQJSA-N 1 0 267.300 1.429 20 10 CDCDRO CNC(=O)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000827862988 813329921 /nfs/dbraw/zinc/32/99/21/813329921.db2.gz WYNSQSLLQWBPCG-UHFFFAOYSA-N 1 0 258.321 1.723 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(O)c1 ZINC000876767121 813351160 /nfs/dbraw/zinc/35/11/60/813351160.db2.gz BLUWTEKKJZWNAA-HNNXBMFYSA-N 1 0 290.407 1.855 20 10 CDCDRO CO[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000878970197 813354974 /nfs/dbraw/zinc/35/49/74/813354974.db2.gz KFPSYRUUJKDADX-AWEZNQCLSA-N 1 0 250.342 1.557 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1c(O)cccc1OC ZINC000800531434 813811038 /nfs/dbraw/zinc/81/10/38/813811038.db2.gz FBXGGPOOOMGIKO-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000883403241 813820453 /nfs/dbraw/zinc/82/04/53/813820453.db2.gz NKVDHVIAPJEASX-CYBMUJFWSA-N 1 0 290.363 1.501 20 10 CDCDRO COc1cccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)c1O ZINC000841921416 813825491 /nfs/dbraw/zinc/82/54/91/813825491.db2.gz WEYORKSWZPJBIY-LBPRGKRZSA-N 1 0 293.367 1.342 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000841091786 813831379 /nfs/dbraw/zinc/83/13/79/813831379.db2.gz FZAPWDHDDRZPAA-UHFFFAOYSA-N 1 0 280.368 1.641 20 10 CDCDRO COc1cc(C[NH2+][C@H](CO)[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000850324650 813839596 /nfs/dbraw/zinc/83/95/96/813839596.db2.gz NJKBKMOQJHBRDL-QMTHXVAHSA-N 1 0 297.395 1.530 20 10 CDCDRO Oc1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000706855336 813842687 /nfs/dbraw/zinc/84/26/87/813842687.db2.gz DQCZZEOOQZIPGN-AOOOYVTPSA-N 1 0 297.196 1.806 20 10 CDCDRO C[C@H](CC(=O)NCCc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237638873 813875551 /nfs/dbraw/zinc/87/55/51/813875551.db2.gz QOWVEISVJWVWHU-UKRRQHHQSA-N 1 0 289.423 1.953 20 10 CDCDRO [NH3+][C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843043915 813881982 /nfs/dbraw/zinc/88/19/82/813881982.db2.gz QCXJGUYXDBWILG-CQSZACIVSA-N 1 0 293.386 1.585 20 10 CDCDRO C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]C1 ZINC000827005571 814010248 /nfs/dbraw/zinc/01/02/48/814010248.db2.gz VTIBTWMCECBJTJ-QGZVFWFLSA-N 1 0 287.407 1.903 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000042168766 814064593 /nfs/dbraw/zinc/06/45/93/814064593.db2.gz PKPQFYZQJATOSB-AWEZNQCLSA-N 1 0 275.396 1.853 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000172072186 814261915 /nfs/dbraw/zinc/26/19/15/814261915.db2.gz NKQJFWGRAWCSBH-CYBMUJFWSA-N 1 0 273.760 1.923 20 10 CDCDRO C[C@H](CCCCO)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817942568 814263181 /nfs/dbraw/zinc/26/31/81/814263181.db2.gz PPIPTBDQWJPRRF-CJNGLKHVSA-N 1 0 279.428 1.893 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CCN2CCCC2=O)c1 ZINC000775692609 814309976 /nfs/dbraw/zinc/30/99/76/814309976.db2.gz ZIXWGZRTRQGFCK-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000840833164 814368667 /nfs/dbraw/zinc/36/86/67/814368667.db2.gz LPTOZEOQWXCXIE-WFASDCNBSA-N 1 0 275.396 1.929 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000841081293 814377942 /nfs/dbraw/zinc/37/79/42/814377942.db2.gz SRQWDCYXIMZKBK-VIFPVBQESA-N 1 0 283.328 1.526 20 10 CDCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000783741161 814486164 /nfs/dbraw/zinc/48/61/64/814486164.db2.gz LADSUPAPDUPJSR-MFKMUULPSA-N 1 0 298.180 1.969 20 10 CDCDRO Cc1ccc(C[NH2+]CCSCCCO)c(O)c1 ZINC000877014160 814552264 /nfs/dbraw/zinc/55/22/64/814552264.db2.gz OBSOHTSJRXCJHH-UHFFFAOYSA-N 1 0 255.383 1.906 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(O)c1 ZINC000877628492 814557940 /nfs/dbraw/zinc/55/79/40/814557940.db2.gz IKZQDPSNUFPMKU-TZMCWYRMSA-N 1 0 274.364 1.801 20 10 CDCDRO COCC1(C[NH2+]Cc2c(O)cccc2OC)CCOCC1 ZINC000813780448 814629756 /nfs/dbraw/zinc/62/97/56/814629756.db2.gz BELNEALKDXBUMR-UHFFFAOYSA-N 1 0 295.379 1.934 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1 ZINC000305746832 814732322 /nfs/dbraw/zinc/73/23/22/814732322.db2.gz QWEXIQPSDVUXKJ-DGCLKSJQSA-N 1 0 251.326 1.282 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1cc(F)ccc1O ZINC000779021543 816805544 /nfs/dbraw/zinc/80/55/44/816805544.db2.gz UEQGPFGTTRFZRB-UHFFFAOYSA-N 1 0 285.315 1.543 20 10 CDCDRO COc1ccc(N2CCN(C(=O)CC(C)(C)[NH3+])CC2)cc1 ZINC000084162620 816814734 /nfs/dbraw/zinc/81/47/34/816814734.db2.gz PHIUHAYOOGZPDO-UHFFFAOYSA-N 1 0 291.395 1.471 20 10 CDCDRO CCc1cccc(C[NH2+]Cc2cnnn2CC)c1O ZINC000862434597 816823032 /nfs/dbraw/zinc/82/30/32/816823032.db2.gz YBOKIBSSBITXOC-UHFFFAOYSA-N 1 0 260.341 1.856 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CNC(=O)C1 ZINC000851792067 816824728 /nfs/dbraw/zinc/82/47/28/816824728.db2.gz KBFRFUSZNGZCGM-GFCCVEGCSA-N 1 0 262.353 1.740 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1 ZINC000839195442 816825835 /nfs/dbraw/zinc/82/58/35/816825835.db2.gz JLIFCWIFBOWCGV-CYBMUJFWSA-N 1 0 261.369 1.368 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cc(Cl)ccc1O ZINC000840805058 816852793 /nfs/dbraw/zinc/85/27/93/816852793.db2.gz LNJSIUJGOFEQDV-KOLCDFICSA-N 1 0 296.758 1.349 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000817894701 816856502 /nfs/dbraw/zinc/85/65/02/816856502.db2.gz PZDYOFWXVMGWPG-ZBFHGGJFSA-N 1 0 291.439 1.918 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1C ZINC000710881278 816860253 /nfs/dbraw/zinc/86/02/53/816860253.db2.gz WJNGCIYELSUWQE-CHWSQXEVSA-N 1 0 251.326 1.243 20 10 CDCDRO Nc1ccc(CCNC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000841959051 816876775 /nfs/dbraw/zinc/87/67/75/816876775.db2.gz JYUFKZVDYHTQKM-UHFFFAOYSA-N 1 0 288.395 1.372 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C2CC2)cc1F ZINC000858137799 816890539 /nfs/dbraw/zinc/89/05/39/816890539.db2.gz GVLOLFUEBOZDKA-CYBMUJFWSA-N 1 0 270.323 1.891 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)CC2(F)F)cc1 ZINC000832267332 817031091 /nfs/dbraw/zinc/03/10/91/817031091.db2.gz QPFBSWQRKSSFMP-JSGCOSHPSA-N 1 0 297.349 1.914 20 10 CDCDRO Cc1cc(C[NH2+]C(C)(C)CC(N)=O)ccc1N(C)C ZINC000815092164 817046520 /nfs/dbraw/zinc/04/65/20/817046520.db2.gz BCVINFKDWKFJLS-UHFFFAOYSA-N 1 0 263.385 1.805 20 10 CDCDRO Cc1cc(Br)cc(CN(C)C2C[NH2+]C2)c1O ZINC000843124746 817098683 /nfs/dbraw/zinc/09/86/83/817098683.db2.gz MLWFZIHMDJPTOZ-UHFFFAOYSA-N 1 0 285.185 1.867 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000135213585 817221223 /nfs/dbraw/zinc/22/12/23/817221223.db2.gz ZKNVKHWQELYFSB-JQWIXIFHSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCCN2CCOCC2)c1O ZINC000846138931 817256284 /nfs/dbraw/zinc/25/62/84/817256284.db2.gz XXTFHLQSTKJDKJ-CYBMUJFWSA-N 1 0 294.395 1.774 20 10 CDCDRO Nc1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000817958841 817317188 /nfs/dbraw/zinc/31/71/88/817317188.db2.gz ZOEIOAIPAOSHKF-HOTGVXAUSA-N 1 0 275.396 1.168 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(N)=O)c1 ZINC000168828803 817357220 /nfs/dbraw/zinc/35/72/20/817357220.db2.gz GVEGHMYVEIYNDE-IUCAKERBSA-N 1 0 252.314 1.315 20 10 CDCDRO COCCOCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124736338 817473206 /nfs/dbraw/zinc/47/32/06/817473206.db2.gz YLMNVZYMJMZJGN-UHFFFAOYSA-N 1 0 259.733 1.798 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000780787242 817544148 /nfs/dbraw/zinc/54/41/48/817544148.db2.gz TWOHPQDKDGQOPD-GHMZBOCLSA-N 1 0 251.326 1.604 20 10 CDCDRO CC(C)[C@H]1CN(Cc2cc(F)ccc2O)CC[NH2+]1 ZINC000843104443 817609214 /nfs/dbraw/zinc/60/92/14/817609214.db2.gz HWUTYDNKUPHNRC-CYBMUJFWSA-N 1 0 252.333 1.961 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC000814172846 817771015 /nfs/dbraw/zinc/77/10/15/817771015.db2.gz BFQCYLFOXAFCAQ-WOFXILAISA-N 1 0 281.739 1.896 20 10 CDCDRO CCOc1ccc(CN2CC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000809739791 817867359 /nfs/dbraw/zinc/86/73/59/817867359.db2.gz SQQHPXQHZGXBKY-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886341430 817893747 /nfs/dbraw/zinc/89/37/47/817893747.db2.gz VBXTVQAPTBVQPJ-OKILXGFUSA-N 1 0 273.380 1.321 20 10 CDCDRO CN(C)c1ccc(Cn2cc(CSCC[NH3+])nn2)cc1 ZINC000881272301 817999232 /nfs/dbraw/zinc/99/92/32/817999232.db2.gz RWJBZQJSWJFOGI-UHFFFAOYSA-N 1 0 291.424 1.584 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000841656059 818000883 /nfs/dbraw/zinc/00/08/83/818000883.db2.gz VFJPYSKWQXGZPG-KBPBESRZSA-N 1 0 290.411 1.822 20 10 CDCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272385737 912985226 /nfs/dbraw/zinc/98/52/26/912985226.db2.gz DOGXQGYWRIHABD-CYBMUJFWSA-N 1 0 290.363 1.446 20 10 CDCDRO COC(=O)Cc1ccc(O)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174655460 913293472 /nfs/dbraw/zinc/29/34/72/913293472.db2.gz HKLFSLJMIRZRON-UHFFFAOYSA-N 1 0 272.304 1.977 20 10 CDCDRO COCCNC(=O)C1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000839192547 905097594 /nfs/dbraw/zinc/09/75/94/905097594.db2.gz KEANQAJEROCOTO-UHFFFAOYSA-N 1 0 298.770 1.430 20 10 CDCDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000841651749 907737252 /nfs/dbraw/zinc/73/72/52/907737252.db2.gz AEMZNVWUXSXTIG-NSHDSACASA-N 1 0 264.373 1.241 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1Cl ZINC001232258907 912066707 /nfs/dbraw/zinc/06/67/07/912066707.db2.gz CLIMUKMRPHYRHT-SKDRFNHKSA-N 1 0 275.707 1.656 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000183614290 917471525 /nfs/dbraw/zinc/47/15/25/917471525.db2.gz AEZPWROXGRCVSV-MNOVXSKESA-N 1 0 260.337 1.806 20 10 CDCDRO COc1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc(O)c1O ZINC001204345724 917961737 /nfs/dbraw/zinc/96/17/37/917961737.db2.gz VYAIUFFPKPKULH-ZDUSSCGKSA-N 1 0 292.379 1.777 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c2ccccc2n1C ZINC001138252589 936501670 /nfs/dbraw/zinc/50/16/70/936501670.db2.gz MPIJXYARZZXGFD-DYVFJYSZSA-N 1 0 288.391 1.662 20 10 CDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138497003 936542733 /nfs/dbraw/zinc/54/27/33/936542733.db2.gz XDQGPTVEIOHOBJ-YOEHRIQHSA-N 1 0 290.407 1.868 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001272767172 919203772 /nfs/dbraw/zinc/20/37/72/919203772.db2.gz XYFKMSLBYYOUBQ-INIZCTEOSA-N 1 0 290.363 1.134 20 10 CDCDRO O=C1COC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001203550354 919305091 /nfs/dbraw/zinc/30/50/91/919305091.db2.gz SVSFMUFRTCVAOO-UHFFFAOYSA-N 1 0 261.321 1.716 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1(CO)CC1 ZINC000827904079 936613372 /nfs/dbraw/zinc/61/33/72/936613372.db2.gz UQXILMKMURAWCU-UHFFFAOYSA-N 1 0 294.370 1.619 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC001140338180 936702872 /nfs/dbraw/zinc/70/28/72/936702872.db2.gz YORHPFPSUPXGNO-ZANVPECISA-N 1 0 271.744 1.221 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001140660351 936736232 /nfs/dbraw/zinc/73/62/32/936736232.db2.gz OWLLAYOIMGBATD-BLLLJJGKSA-N 1 0 294.370 1.475 20 10 CDCDRO CCc1cccc(C[NH2+]CCN(C)C(=O)OC)c1O ZINC000689571458 936770305 /nfs/dbraw/zinc/77/03/05/936770305.db2.gz ODLGXLIOMGJXHJ-UHFFFAOYSA-N 1 0 266.341 1.742 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC([C@@H](C)OC)C2)c(OC)c1 ZINC001141030852 936794725 /nfs/dbraw/zinc/79/47/25/936794725.db2.gz NSOMQIFBNQMMHO-SNVBAGLBSA-N 1 0 281.352 1.876 20 10 CDCDRO COc1cc(O)c(CN2CC3(C2)CCCO3)c(OC)c1 ZINC001141026129 936794366 /nfs/dbraw/zinc/79/43/66/936794366.db2.gz DYDYXZSVNJXWAS-UHFFFAOYSA-N 1 0 279.336 1.774 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@H]21 ZINC000836847746 936805347 /nfs/dbraw/zinc/80/53/47/936805347.db2.gz CZZDGPHWRNEIAG-CBSYICTRSA-N 1 0 288.347 1.274 20 10 CDCDRO Cn1ncc2c1CCN(Cc1ccc3c(c1)OCCN3C)C2 ZINC001141145195 936820409 /nfs/dbraw/zinc/82/04/09/936820409.db2.gz RNMIJOWVXYJUGP-UHFFFAOYSA-N 1 0 298.390 1.807 20 10 CDCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141159113 936821980 /nfs/dbraw/zinc/82/19/80/936821980.db2.gz ZPZWUWTYMSNBEV-XJKSGUPXSA-N 1 0 292.379 1.250 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159679 936822346 /nfs/dbraw/zinc/82/23/46/936822346.db2.gz JHPDOFRFCUJZOL-PWSUYJOCSA-N 1 0 279.336 1.729 20 10 CDCDRO Cn1cc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)cn1 ZINC001141139589 936818425 /nfs/dbraw/zinc/81/84/25/936818425.db2.gz YBZNERYDXLXIAK-UHFFFAOYSA-N 1 0 286.379 1.881 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc21 ZINC001141138903 936818980 /nfs/dbraw/zinc/81/89/80/936818980.db2.gz CPJIGKUGHOYLLT-CYBMUJFWSA-N 1 0 289.379 1.213 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141161351 936823034 /nfs/dbraw/zinc/82/30/34/936823034.db2.gz QRLFGLPWWYDQAZ-LBPRGKRZSA-N 1 0 264.325 1.150 20 10 CDCDRO [NH3+]C[C@]1(O)CCCCN(Cc2c([O-])c(F)ccc2F)C1 ZINC001205682316 924442926 /nfs/dbraw/zinc/44/29/26/924442926.db2.gz RTCYWEOCAUPSRR-CQSZACIVSA-N 1 0 286.322 1.346 20 10 CDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840173693 936942580 /nfs/dbraw/zinc/94/25/80/936942580.db2.gz FFFHPKBHZZOXHM-ZDUSSCGKSA-N 1 0 299.374 1.851 20 10 CDCDRO COc1cc(CN2C[C@H](C)CC[C@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855042 925575054 /nfs/dbraw/zinc/57/50/54/925575054.db2.gz LJSAKJKVTAQERW-YPMHNXCESA-N 1 0 294.395 1.969 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000841655640 937010246 /nfs/dbraw/zinc/01/02/46/937010246.db2.gz SVUTZIZMXLXPRD-INIZCTEOSA-N 1 0 290.411 1.633 20 10 CDCDRO CCCC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001252077107 926298883 /nfs/dbraw/zinc/29/88/83/926298883.db2.gz DFRVNOIKBBGABE-RISCZKNCSA-N 1 0 269.341 1.272 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001168959145 927579911 /nfs/dbraw/zinc/57/99/11/927579911.db2.gz UAEFWMXAZFZUOS-GLXFQSAKSA-N 1 0 296.323 1.166 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C[NH2+]C(C)C)cc1 ZINC000851641062 927595469 /nfs/dbraw/zinc/59/54/69/927595469.db2.gz JRCJDVMBIFGEKT-UHFFFAOYSA-N 1 0 293.411 1.588 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000852771586 927867696 /nfs/dbraw/zinc/86/76/96/927867696.db2.gz GMAZCYGFRMENBP-OAHLLOKOSA-N 1 0 291.395 1.342 20 10 CDCDRO Cc1nccn1-c1ccc(NCc2ccc(O)c(O)c2)nn1 ZINC001169991034 928862839 /nfs/dbraw/zinc/86/28/39/928862839.db2.gz WPKQJURJEXHETE-UHFFFAOYSA-N 1 0 297.318 1.994 20 10 CDCDRO CCc1cccc(C[NH2+]CCC(=O)N(C)C)c1O ZINC000691483672 929004806 /nfs/dbraw/zinc/00/48/06/929004806.db2.gz QAFGATIQPJOSLG-UHFFFAOYSA-N 1 0 250.342 1.523 20 10 CDCDRO OC[C@]1([C@@H]([NH2+]Cc2ccccc2O)C2CC2)CCCO1 ZINC000816667104 930333356 /nfs/dbraw/zinc/33/33/56/930333356.db2.gz CMRSCMJDLWFJIT-HOTGVXAUSA-N 1 0 277.364 1.802 20 10 CDCDRO CCC[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153036980 937413185 /nfs/dbraw/zinc/41/31/85/937413185.db2.gz AZENCBFQRMGHSS-UHFFFAOYSA-N 1 0 277.328 1.578 20 10 CDCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000817940120 930637566 /nfs/dbraw/zinc/63/75/66/930637566.db2.gz FJZPVDAQUZGCIC-IUODEOHRSA-N 1 0 287.411 1.837 20 10 CDCDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000717808726 931372580 /nfs/dbraw/zinc/37/25/80/931372580.db2.gz BHKJNTUVFBRKMM-QMMMGPOBSA-N 1 0 293.241 1.524 20 10 CDCDRO C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112401 931666302 /nfs/dbraw/zinc/66/63/02/931666302.db2.gz DJVSCPWNIPSRKM-MRXNPFEDSA-N 1 0 292.379 1.721 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275267849 931719024 /nfs/dbraw/zinc/71/90/24/931719024.db2.gz YYMNFCGCCDWFHI-GOEBONIOSA-N 1 0 298.390 1.822 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001144509282 931875532 /nfs/dbraw/zinc/87/55/32/931875532.db2.gz RSKCWUOAKILQAF-UHFFFAOYSA-N 1 0 251.282 1.168 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001275821426 932065027 /nfs/dbraw/zinc/06/50/27/932065027.db2.gz QEHAXAQWCYYWSG-YHWZYXNKSA-N 1 0 262.353 1.813 20 10 CDCDRO CCN(Cc1ccccc1O)c1ncnc2c1CC[NH2+]C2 ZINC001154890329 937600471 /nfs/dbraw/zinc/60/04/71/937600471.db2.gz VLLUISAQOYTFIF-UHFFFAOYSA-N 1 0 284.363 1.854 20 10 CDCDRO C[NH+](C)CCC(C)(C)NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148589704 932752461 /nfs/dbraw/zinc/75/24/61/932752461.db2.gz HYIKGLRAENUEND-UHFFFAOYSA-N 1 0 282.340 1.264 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c1O ZINC001206654762 937653629 /nfs/dbraw/zinc/65/36/29/937653629.db2.gz DAYFOVICOVEOGQ-LBPRGKRZSA-N 1 0 286.322 1.959 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000779203711 934474123 /nfs/dbraw/zinc/47/41/23/934474123.db2.gz HRGPNBSFLUZCAL-PWSUYJOCSA-N 1 0 278.352 1.487 20 10 CDCDRO COCCOCCN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120371696 937796476 /nfs/dbraw/zinc/79/64/76/937796476.db2.gz NRSXCVDXFKLTJC-UHFFFAOYSA-N 1 0 293.411 1.049 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COCCO2)cc1 ZINC000037997893 934843403 /nfs/dbraw/zinc/84/34/03/934843403.db2.gz PLXHYBOPQMHLGQ-AWEZNQCLSA-N 1 0 250.342 1.258 20 10 CDCDRO COc1cccc(CN2CCOC[C@H]2C[NH+](C)C)c1O ZINC001203599564 939695529 /nfs/dbraw/zinc/69/55/29/939695529.db2.gz IPXBHMFZCOCQHI-CYBMUJFWSA-N 1 0 280.368 1.163 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1 ZINC001203669615 939700130 /nfs/dbraw/zinc/70/01/30/939700130.db2.gz GLLALBKMTAESDS-HZUKXOBISA-N 1 0 293.363 1.373 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1 ZINC001203670374 939700430 /nfs/dbraw/zinc/70/04/30/939700430.db2.gz PSINHVXJEUEBAC-JQWIXIFHSA-N 1 0 251.326 1.604 20 10 CDCDRO C[N@@H+]1CCN(Cc2ccc(O)c(O)c2)CC1(C)C ZINC001203878539 939711063 /nfs/dbraw/zinc/71/10/63/939711063.db2.gz BMFXVJPPUYYUKO-UHFFFAOYSA-N 1 0 250.342 1.624 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)cc1 ZINC001203933609 939714756 /nfs/dbraw/zinc/71/47/56/939714756.db2.gz BSKCMZHKMDERGI-UHFFFAOYSA-N 1 0 275.396 1.840 20 10 CDCDRO Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC001204272028 939749813 /nfs/dbraw/zinc/74/98/13/939749813.db2.gz HSFMYGASJBJJRA-UHFFFAOYSA-N 1 0 299.374 1.811 20 10 CDCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001205221170 939837181 /nfs/dbraw/zinc/83/71/81/939837181.db2.gz QHXFLQLUJUSUOZ-CQSZACIVSA-N 1 0 268.332 1.207 20 10 CDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206415384 940034815 /nfs/dbraw/zinc/03/48/15/940034815.db2.gz VWSKZHMSUPVZSF-GJZGRUSLSA-N 1 0 293.386 1.394 20 10 CDCDRO CC1(C)OC[C@H](C[N@@H+]2CCc3cccc(O)c3C2)O1 ZINC001207931648 940265020 /nfs/dbraw/zinc/26/50/20/940265020.db2.gz GWKDYUWYMHVTHJ-LBPRGKRZSA-N 1 0 263.337 1.902 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCN(CCF)CC2)c1 ZINC000402771728 940909563 /nfs/dbraw/zinc/90/95/63/940909563.db2.gz LKFMFBMIGLIEHR-UHFFFAOYSA-N 1 0 268.332 1.488 20 10 CDCDRO COc1cc(C)c(CN2CC3(C2)CC[N@H+](C)C3)c(O)c1 ZINC001276806199 941358913 /nfs/dbraw/zinc/35/89/13/941358913.db2.gz LDOFTTOFHOGMDM-UHFFFAOYSA-N 1 0 276.380 1.847 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCC[NH3+])c1 ZINC001219876257 941391825 /nfs/dbraw/zinc/39/18/25/941391825.db2.gz CTMPAHCWTZPUMP-UHFFFAOYSA-N 1 0 273.336 1.488 20 10 CDCDRO [NH3+][C@@H](Cc1ccsc1)C(=O)NCc1ccccc1O ZINC001219923382 941396608 /nfs/dbraw/zinc/39/66/08/941396608.db2.gz KKYIELUBOXKQMO-LBPRGKRZSA-N 1 0 276.361 1.640 20 10 CDCDRO COc1cccc([C@H](C[NH3+])NC(=O)Cc2ccc(N)cc2)c1 ZINC001221403226 941530966 /nfs/dbraw/zinc/53/09/66/941530966.db2.gz HQGFESIKJOLXLY-INIZCTEOSA-N 1 0 299.374 1.636 20 10 CDCDRO Cc1cc(F)cc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC001277519302 942892419 /nfs/dbraw/zinc/89/24/19/942892419.db2.gz SACINHMQFSITCP-KBPBESRZSA-N 1 0 280.343 1.355 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c(O)cc1O ZINC001231634281 942950281 /nfs/dbraw/zinc/95/02/81/942950281.db2.gz KPMMUQIKQRBRTO-WDEREUQCSA-N 1 0 281.352 1.699 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)Cc1c[nH]c(=O)[nH]c1=O ZINC001231709360 942987908 /nfs/dbraw/zinc/98/79/08/942987908.db2.gz SVKXPCZOGGYVCU-UHFFFAOYSA-N 1 0 261.281 1.225 20 10 CDCDRO COC(=O)[C@H]1CCCN1Cc1ccc(N(C)C)cc1OC ZINC001231849530 943029381 /nfs/dbraw/zinc/02/93/81/943029381.db2.gz VFSZZUBUMXOTHF-CQSZACIVSA-N 1 0 292.379 1.899 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC001232833689 943413371 /nfs/dbraw/zinc/41/33/71/943413371.db2.gz CSSOIOWQDUFTQN-AWEZNQCLSA-N 1 0 268.332 1.365 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1 ZINC001232835710 943414237 /nfs/dbraw/zinc/41/42/37/943414237.db2.gz GBUIGTOARYXPAR-OAHLLOKOSA-N 1 0 280.368 1.041 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841452 943417535 /nfs/dbraw/zinc/41/75/35/943417535.db2.gz GXDDKAZAGFXLQU-ZDUSSCGKSA-N 1 0 250.342 1.679 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009990 943460289 /nfs/dbraw/zinc/46/02/89/943460289.db2.gz GFPIZFJFLNXDRR-UHFFFAOYSA-N 1 0 266.341 1.331 20 10 CDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233011107 943461805 /nfs/dbraw/zinc/46/18/05/943461805.db2.gz ZCHPEZOBJCZYSA-WPRPVWTQSA-N 1 0 253.298 1.006 20 10 CDCDRO Oc1cc(CN2CC([NH+]3CCCC3)C2)cc(O)c1O ZINC001233012545 943462488 /nfs/dbraw/zinc/46/24/88/943462488.db2.gz JVVMSYATKUFPEX-UHFFFAOYSA-N 1 0 264.325 1.083 20 10 CDCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233017645 943466347 /nfs/dbraw/zinc/46/63/47/943466347.db2.gz YCCZVQZZPDRGFA-LBPRGKRZSA-N 1 0 267.325 1.539 20 10 CDCDRO C[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)[C@H]1CO ZINC001233482781 943590603 /nfs/dbraw/zinc/59/06/03/943590603.db2.gz BRJNPSFQMNVNMS-ONGXEEELSA-N 1 0 267.325 1.396 20 10 CDCDRO CCCO[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485297 943593023 /nfs/dbraw/zinc/59/30/23/943593023.db2.gz QAHLLNAUYKXMGL-NSHDSACASA-N 1 0 267.325 1.804 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)[C@@H]1C ZINC001233485901 943593938 /nfs/dbraw/zinc/59/39/38/943593938.db2.gz PQPQJVRSEWUACY-KOLCDFICSA-N 1 0 295.335 1.577 20 10 CDCDRO C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@H](C)[NH2+]1 ZINC001235902896 944313961 /nfs/dbraw/zinc/31/39/61/944313961.db2.gz OPXDGGMOVJUKPZ-BETUJISGSA-N 1 0 275.396 1.697 20 10 CDCDRO Cc1cc(O)c(CN2CC[C@@H]([NH3+])C2)cc1Br ZINC001236174086 944423705 /nfs/dbraw/zinc/42/37/05/944423705.db2.gz PHSYUKFSQDXMMM-SNVBAGLBSA-N 1 0 285.185 1.996 20 10 CDCDRO Oc1c(CN2C[C@H]3C[NH2+]C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001236289189 944447702 /nfs/dbraw/zinc/44/77/02/944447702.db2.gz PNEUSAKFJKRFJQ-ZBFHGGJFSA-N 1 0 299.418 1.495 20 10 CDCDRO Oc1cc(C(F)(F)F)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236291308 944450349 /nfs/dbraw/zinc/45/03/49/944450349.db2.gz LKFZUUMQQDHBNW-GXSJLCMTSA-N 1 0 272.270 1.815 20 10 CDCDRO Cc1c(O)ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1O ZINC001236575974 944513386 /nfs/dbraw/zinc/51/33/86/944513386.db2.gz FTJPRFWLPKHORH-NXEZZACHSA-N 1 0 250.342 1.588 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC001236751126 944558720 /nfs/dbraw/zinc/55/87/20/944558720.db2.gz PSSVWZRDZCMRQL-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO COc1cc(O)c(CN2CC([NH+](C)C)C2)c(Cl)c1 ZINC001236797903 944570446 /nfs/dbraw/zinc/57/04/46/944570446.db2.gz JVMFRCOHFDCQKN-UHFFFAOYSA-N 1 0 270.760 1.800 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCN(C(C)=O)[C@@H](C)C2)c(O)c1 ZINC001237043869 944643705 /nfs/dbraw/zinc/64/37/05/944643705.db2.gz DIDFAPQYISVXFA-LBPRGKRZSA-N 1 0 292.379 1.844 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCC(=O)N(C)C)c(O)c1 ZINC001237042825 944644459 /nfs/dbraw/zinc/64/44/59/944644459.db2.gz KIUVPYROGOVHMJ-UHFFFAOYSA-N 1 0 280.368 1.701 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237046153 944646898 /nfs/dbraw/zinc/64/68/98/944646898.db2.gz QVTNNNDISAVHBV-HIFRSBDPSA-N 1 0 265.353 1.301 20 10 CDCDRO Oc1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(O)c1O ZINC001237411385 944761950 /nfs/dbraw/zinc/76/19/50/944761950.db2.gz FSXSRGVCCQGVKM-NWDGAFQWSA-N 1 0 278.352 1.377 20 10 CDCDRO COc1cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(O)c(OC)c1 ZINC001237668724 944917653 /nfs/dbraw/zinc/91/76/53/944917653.db2.gz GBNRCHBSDUJOGH-NWDGAFQWSA-N 1 0 294.395 1.934 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001237681399 944923892 /nfs/dbraw/zinc/92/38/92/944923892.db2.gz OYKHKXWJIQZCOG-MFKMUULPSA-N 1 0 285.771 1.529 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1O ZINC001238064090 945044056 /nfs/dbraw/zinc/04/40/56/945044056.db2.gz NWONBCBEJRQBPK-HNNXBMFYSA-N 1 0 278.327 1.552 20 10 CDCDRO [NH3+]Cc1cncc(-c2ccn(CC3CC3)c(=O)c2)c1 ZINC001239806367 945592608 /nfs/dbraw/zinc/59/26/08/945592608.db2.gz FJPAXDQCSGKLBL-UHFFFAOYSA-N 1 0 255.321 1.779 20 10 CDCDRO [O-]c1c(F)cc(F)cc1CNCc1nnc2n1CCOC2 ZINC001262031428 946388717 /nfs/dbraw/zinc/38/87/17/946388717.db2.gz RFVUEFXOGHLWSX-UHFFFAOYSA-N 1 0 296.277 1.082 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H](C)O1 ZINC001262488097 946682509 /nfs/dbraw/zinc/68/25/09/946682509.db2.gz QKTNHQDIVUHUAM-FZMZJTMJSA-N 1 0 250.342 1.505 20 10 CDCDRO C[C@@H]1CC[C@H](NCCc2cc(O)c(O)cc2O)C[NH2+]1 ZINC001246210163 948029786 /nfs/dbraw/zinc/02/97/86/948029786.db2.gz CGDGRAIUQBQSHP-KOLCDFICSA-N 1 0 266.341 1.076 20 10 CDCDRO C[C@@H](Cc1ccncc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001256716471 948406356 /nfs/dbraw/zinc/40/63/56/948406356.db2.gz RGINGAJQGBMKRZ-ZBEGNZNMSA-N 1 0 288.347 1.747 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CN1 ZINC001246869355 948493027 /nfs/dbraw/zinc/49/30/27/948493027.db2.gz RIEXWOBDVJQQHJ-OCCSQVGLSA-N 1 0 290.363 1.044 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c1 ZINC001249171260 949435992 /nfs/dbraw/zinc/43/59/92/949435992.db2.gz AYORKJPRIWWEED-IAQYHMDHSA-N 1 0 293.363 1.310 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001249178048 949440485 /nfs/dbraw/zinc/44/04/85/949440485.db2.gz ONASSGWRICMCSQ-GFCCVEGCSA-N 1 0 267.300 1.652 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)NCc1cccc(OC)c1O ZINC001326131753 954226632 /nfs/dbraw/zinc/22/66/32/954226632.db2.gz CMHSCAAMYXIKDI-JTQLQIEISA-N 1 0 281.356 1.056 20 10 CDCDRO C[N@@H+]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1(C)C ZINC001331036994 956778729 /nfs/dbraw/zinc/77/87/29/956778729.db2.gz QTFYRGHOFVPMLX-AWEZNQCLSA-N 1 0 292.379 1.344 20 10 CDCDRO NC(=O)CCC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001334753346 959330765 /nfs/dbraw/zinc/33/07/65/959330765.db2.gz CZJVODBAYSLCQW-UHFFFAOYSA-N 1 0 261.369 1.746 20 10 CDCDRO Nc1ccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001336290801 960289892 /nfs/dbraw/zinc/28/98/92/960289892.db2.gz SDFYBJULCMMYTC-QWHCGFSZSA-N 1 0 274.368 1.020 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N)cc1 ZINC001336893701 960714430 /nfs/dbraw/zinc/71/44/30/960714430.db2.gz FTBGVAZPPYIMIJ-SNVBAGLBSA-N 1 0 250.346 1.066 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC001337837746 961460958 /nfs/dbraw/zinc/46/09/58/961460958.db2.gz DMTXULIWKKKLCV-CQSZACIVSA-N 1 0 274.368 1.305 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001351630590 966965678 /nfs/dbraw/zinc/96/56/78/966965678.db2.gz FKODTJCJTYDRDX-UHFFFAOYSA-N 1 0 274.364 1.945 20 10 CDCDRO CCCC[C@H]([NH3+])C(=O)NCc1c(O)cccc1F ZINC001577410352 1171663747 /nfs/dbraw/zinc/66/37/47/1171663747.db2.gz AOGCWQUGBMPVBH-NSHDSACASA-N 1 0 254.305 1.665 20 10 CDCDRO CN(C)c1cc(F)c(CNC[C@H]2CC[NH2+]2)cc1F ZINC001578422881 1171905633 /nfs/dbraw/zinc/90/56/33/1171905633.db2.gz KQDPNEPBUUOXMT-SNVBAGLBSA-N 1 0 255.312 1.482 20 10 CDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1O ZINC000066192378 348976244 /nfs/dbraw/zinc/97/62/44/348976244.db2.gz WVWWRAHRQUXKEH-LBPRGKRZSA-N 1 0 279.384 1.922 20 10 CDCDRO C[C@H](CCO)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295175760 199387599 /nfs/dbraw/zinc/38/75/99/199387599.db2.gz UZWJRBQFMQOATF-JTQLQIEISA-N 1 0 267.325 1.619 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052706 356826112 /nfs/dbraw/zinc/82/61/12/356826112.db2.gz DCYLPXHRHRQTNS-NSHDSACASA-N 1 0 250.342 1.618 20 10 CDCDRO CC[NH+]1CCN(CCC(=O)Nc2ccc(N)cc2)CC1 ZINC000019260539 358037843 /nfs/dbraw/zinc/03/78/43/358037843.db2.gz CTUNSNIVPNNTPJ-UHFFFAOYSA-N 1 0 276.384 1.235 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189969986 358046861 /nfs/dbraw/zinc/04/68/61/358046861.db2.gz ITKUUIJUCFDCRV-UHFFFAOYSA-N 1 0 272.352 1.896 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1O ZINC000019899958 358213747 /nfs/dbraw/zinc/21/37/47/358213747.db2.gz WSWOPARICKAGQD-LLVKDONJSA-N 1 0 285.365 1.068 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000193062808 358261540 /nfs/dbraw/zinc/26/15/40/358261540.db2.gz REMYXGOXBPQJCD-LLVKDONJSA-N 1 0 278.352 1.702 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@@]2(O)CCOC2)ccc1OC ZINC000179017901 366511220 /nfs/dbraw/zinc/51/12/20/366511220.db2.gz IYZODBQFDOXSKF-INIZCTEOSA-N 1 0 295.379 1.473 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1C ZINC000267008513 363711113 /nfs/dbraw/zinc/71/11/13/363711113.db2.gz FYACACSPZOPSOX-AWEZNQCLSA-N 1 0 267.394 1.961 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2(CN(C)C)CCC2)c1 ZINC000281395448 363800936 /nfs/dbraw/zinc/80/09/36/363800936.db2.gz XCLPZBKHWWKVDP-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO Cc1cc(C[N@@H+](C)CC(=O)N(C)C)ccc1N(C)C ZINC000293648716 370729938 /nfs/dbraw/zinc/72/99/38/370729938.db2.gz XWWWCQMFUZAHBT-UHFFFAOYSA-N 1 0 263.385 1.581 20 10 CDCDRO O=C(NCCCO)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000271235692 364977762 /nfs/dbraw/zinc/97/77/62/364977762.db2.gz CDVPBCWQNJHHFB-UHFFFAOYSA-N 1 0 292.379 1.103 20 10 CDCDRO CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccccc1O ZINC000230994404 367539760 /nfs/dbraw/zinc/53/97/60/367539760.db2.gz ALJZEBKHFIXTGK-GFCCVEGCSA-N 1 0 286.397 1.324 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H](CO)CCOC)c(O)c1 ZINC000282184393 367763331 /nfs/dbraw/zinc/76/33/31/367763331.db2.gz KHIUVYXCVSBIGN-CYBMUJFWSA-N 1 0 283.368 1.668 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NCCF)c1 ZINC000282707221 368001688 /nfs/dbraw/zinc/00/16/88/368001688.db2.gz PHZLLEQWQOOYHK-JTQLQIEISA-N 1 0 254.305 1.264 20 10 CDCDRO COC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000296604392 371442319 /nfs/dbraw/zinc/44/23/19/371442319.db2.gz XXZRNLOOFOXEQG-RYUDHWBXSA-N 1 0 251.326 1.631 20 10 CDCDRO CC[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1O ZINC000093050388 390899423 /nfs/dbraw/zinc/89/94/23/390899423.db2.gz HQPLUOKDHGNBAM-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000176750806 391157692 /nfs/dbraw/zinc/15/76/92/391157692.db2.gz PSFYSYVPQHFIPV-ZDUSSCGKSA-N 1 0 253.367 1.658 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(O)c1O ZINC000182582983 391237453 /nfs/dbraw/zinc/23/74/53/391237453.db2.gz DAIWXOMGYKHBBA-QWRGUYRKSA-N 1 0 290.363 1.761 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH+](C)C)cc1 ZINC000179215345 391198584 /nfs/dbraw/zinc/19/85/84/391198584.db2.gz FATAYBCWQXXBHW-UHFFFAOYSA-N 1 0 292.427 1.894 20 10 CDCDRO OCCO[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179573211 391211879 /nfs/dbraw/zinc/21/18/79/391211879.db2.gz RAUSKJOTQFJKNG-ZDUSSCGKSA-N 1 0 251.326 1.366 20 10 CDCDRO C[NH+](C)C[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000183256590 391258229 /nfs/dbraw/zinc/25/82/29/391258229.db2.gz XJXAYHQVSMRDGM-ZDUSSCGKSA-N 1 0 268.332 1.294 20 10 CDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000284278512 391481852 /nfs/dbraw/zinc/48/18/52/391481852.db2.gz HKNBGAHIQMJJRL-NWDGAFQWSA-N 1 0 282.359 1.418 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)[C@H](C)[NH3+])CC2)cc1 ZINC000165750987 391749804 /nfs/dbraw/zinc/74/98/04/391749804.db2.gz SNJPVWXPOOXZHS-LBPRGKRZSA-N 1 0 277.368 1.081 20 10 CDCDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372647683 391860640 /nfs/dbraw/zinc/86/06/40/391860640.db2.gz IHJVMTBPBLBNAK-ZBFHGGJFSA-N 1 0 294.370 1.428 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COCCO2)c1 ZINC000038060815 174071930 /nfs/dbraw/zinc/07/19/30/174071930.db2.gz XVFDLGQVYUCQPD-RYUDHWBXSA-N 1 0 251.326 1.767 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000078640380 260168406 /nfs/dbraw/zinc/16/84/06/260168406.db2.gz KJBSVIYTNFTWKU-ZDUSSCGKSA-N 1 0 296.436 1.810 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000154006878 261086699 /nfs/dbraw/zinc/08/66/99/261086699.db2.gz KKJJXYWYUSYOOR-ZDUSSCGKSA-N 1 0 292.379 1.631 20 10 CDCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185467252 262305333 /nfs/dbraw/zinc/30/53/33/262305333.db2.gz KUIUMFHEWBPUMN-NHYWBVRUSA-N 1 0 283.368 1.839 20 10 CDCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)cn1 ZINC000374247945 267768026 /nfs/dbraw/zinc/76/80/26/267768026.db2.gz SNBHNEYKJFKWTM-OAHLLOKOSA-N 1 0 298.390 1.724 20 10 CDCDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296189304 278251696 /nfs/dbraw/zinc/25/16/96/278251696.db2.gz YKZMHUYHMBHEFV-WCQYABFASA-N 1 0 274.364 1.980 20 10 CDCDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000077458054 326923553 /nfs/dbraw/zinc/92/35/53/326923553.db2.gz QLPZILQWGLVOHX-OLZOCXBDSA-N 1 0 283.393 1.838 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000178712773 329202653 /nfs/dbraw/zinc/20/26/53/329202653.db2.gz GKWVDQVCCSHJSI-INIZCTEOSA-N 1 0 293.386 1.851 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000179726340 329208215 /nfs/dbraw/zinc/20/82/15/329208215.db2.gz AZQKDKSWORIKMA-CQSZACIVSA-N 1 0 274.364 1.944 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](CO)SC)c1 ZINC000224856968 329244803 /nfs/dbraw/zinc/24/48/03/329244803.db2.gz LPSUYZHFQSZJCF-RNCFNFMXSA-N 1 0 271.382 1.603 20 10 CDCDRO O=C1NCCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226584389 329261658 /nfs/dbraw/zinc/26/16/58/329261658.db2.gz DVLROQNUOGMVHB-LLVKDONJSA-N 1 0 252.289 1.290 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)C2)c(OC)c1 ZINC001141028143 1159572194 /nfs/dbraw/zinc/57/21/94/1159572194.db2.gz CMEGLZGCWNLWMG-HNNXBMFYSA-N 1 0 281.352 1.756 20 10 CDCDRO CC(C)[C@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000236767011 519817396 /nfs/dbraw/zinc/81/73/96/519817396.db2.gz ZRMWUIWHVGDEIU-HNNXBMFYSA-N 1 0 276.380 1.871 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c1O ZINC000228099425 521346077 /nfs/dbraw/zinc/34/60/77/521346077.db2.gz GCXZCRCQGYOWSS-MRXNPFEDSA-N 1 0 292.379 1.749 20 10 CDCDRO CC[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299529775 521574345 /nfs/dbraw/zinc/57/43/45/521574345.db2.gz RZIBALVYZYVLAV-UHFFFAOYSA-N 1 0 277.368 1.676 20 10 CDCDRO CCCN(CCC)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278434112 521650926 /nfs/dbraw/zinc/65/09/26/521650926.db2.gz UKMBZVLJMAZFLL-IRXDYDNUSA-N 1 0 292.423 1.850 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000289643562 521688347 /nfs/dbraw/zinc/68/83/47/521688347.db2.gz MKHVCQFNICJFFL-GFCCVEGCSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1c(O)c(C[N@H+](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000289422112 521871253 /nfs/dbraw/zinc/87/12/53/521871253.db2.gz JJTILUXOPQWIMM-MRVPVSSYSA-N 1 0 270.285 1.122 20 10 CDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000276553323 523921471 /nfs/dbraw/zinc/92/14/71/523921471.db2.gz KOPZEJOHLLSOTJ-VIFPVBQESA-N 1 0 284.331 1.697 20 10 CDCDRO C[NH+](C)C1(CNC(=O)Cc2ccc(N)cc2)CCOCC1 ZINC000237081053 524035762 /nfs/dbraw/zinc/03/57/62/524035762.db2.gz IMNXQGWUJIAFBJ-UHFFFAOYSA-N 1 0 291.395 1.038 20 10 CDCDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000291671793 524099474 /nfs/dbraw/zinc/09/94/74/524099474.db2.gz GRMDPJPAGGHUPQ-VIFPVBQESA-N 1 0 253.321 1.116 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038082794 524763167 /nfs/dbraw/zinc/76/31/67/524763167.db2.gz VKRHSWSHUKKKNW-MNOVXSKESA-N 1 0 299.392 1.486 20 10 CDCDRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855905 524816852 /nfs/dbraw/zinc/81/68/52/524816852.db2.gz TUMDIHNOWHXYML-ZDUSSCGKSA-N 1 0 275.396 1.983 20 10 CDCDRO Cc1cc(C(=O)NCCCC[NH3+])c(C)n1-c1ccccn1 ZINC000237588171 526266523 /nfs/dbraw/zinc/26/65/23/526266523.db2.gz DGZHCBIXWBYRQP-UHFFFAOYSA-N 1 0 286.379 1.958 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(O)CCOCC1 ZINC000728782954 574645856 /nfs/dbraw/zinc/64/58/56/574645856.db2.gz VATSWXUGUQLADG-UHFFFAOYSA-N 1 0 267.325 1.032 20 10 CDCDRO CCN(CC)c1ccc(CN(C)Cc2n[nH]c(=O)[n-]2)cc1 ZINC000774545897 575213686 /nfs/dbraw/zinc/21/36/86/575213686.db2.gz BNFVREYCRWLFQG-UHFFFAOYSA-N 1 0 289.383 1.989 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCNC2=O)c1O ZINC000770384875 575443341 /nfs/dbraw/zinc/44/33/41/575443341.db2.gz ZPOTYCUSBPJFQI-NSHDSACASA-N 1 0 264.325 1.111 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNCc3cc[nH]n3)cc2)CC1 ZINC000771829149 575622069 /nfs/dbraw/zinc/62/20/69/575622069.db2.gz HMZWPMVRTVYDRD-UHFFFAOYSA-N 1 0 285.395 1.451 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000773748747 575837465 /nfs/dbraw/zinc/83/74/65/575837465.db2.gz RGJAHZJHAXBBFN-UHFFFAOYSA-N 1 0 290.411 1.729 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC000773766663 575838415 /nfs/dbraw/zinc/83/84/15/575838415.db2.gz CVMPLCYGMNMWIQ-NSHDSACASA-N 1 0 292.379 1.629 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CCOCCO)cc1 ZINC000739903216 576396224 /nfs/dbraw/zinc/39/62/24/576396224.db2.gz JQGUZBXIQYRZFM-UHFFFAOYSA-N 1 0 280.412 1.974 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCc2ccn(C)n2)cc1F ZINC000760632625 576498169 /nfs/dbraw/zinc/49/81/69/576498169.db2.gz JKWCAVBNUJTWLO-UHFFFAOYSA-N 1 0 276.359 1.958 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742377654 576599159 /nfs/dbraw/zinc/59/91/59/576599159.db2.gz XARNWPOMEQFXEU-GFCCVEGCSA-N 1 0 265.353 1.763 20 10 CDCDRO COC(=O)CCC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000762785393 576671895 /nfs/dbraw/zinc/67/18/95/576671895.db2.gz HTVAQNBYTXPUEG-UHFFFAOYSA-N 1 0 295.335 1.942 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1C ZINC000754084821 576878762 /nfs/dbraw/zinc/87/87/62/576878762.db2.gz CRUAWLUFTCINMK-NSHDSACASA-N 1 0 271.382 1.532 20 10 CDCDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC000748261835 576903364 /nfs/dbraw/zinc/90/33/64/576903364.db2.gz CGLSLNREWDNLIV-CABCVRRESA-N 1 0 286.375 1.734 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000756759992 577003395 /nfs/dbraw/zinc/00/33/95/577003395.db2.gz NAVIDBLQVSYGMK-MKBNYLNASA-N 1 0 294.395 1.771 20 10 CDCDRO COc1cccc(C[N@H+](C)CCNC(=O)N(C)C)c1O ZINC000757867455 577058379 /nfs/dbraw/zinc/05/83/79/577058379.db2.gz VENVDFNDNNNOMW-UHFFFAOYSA-N 1 0 281.356 1.104 20 10 CDCDRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000840879863 617424639 /nfs/dbraw/zinc/42/46/39/617424639.db2.gz ANQDPVGKSMPDRE-LBPRGKRZSA-N 1 0 296.436 1.980 20 10 CDCDRO CCC1([NH3+])CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000892038249 617430272 /nfs/dbraw/zinc/43/02/72/617430272.db2.gz BTODZTYULSPOJV-UHFFFAOYSA-N 1 0 290.411 1.724 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892057444 617448317 /nfs/dbraw/zinc/44/83/17/617448317.db2.gz ZVYALMQUWNUCOK-UWVGGRQHSA-N 1 0 251.330 1.490 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892560955 617504954 /nfs/dbraw/zinc/50/49/54/617504954.db2.gz DAHDEGTXWZBWBE-KLPPZKSPSA-N 1 0 263.341 1.271 20 10 CDCDRO Cn1c(Sc2nccs2)nnc1[C@H]1CCC[NH2+]C1 ZINC000892583694 617519707 /nfs/dbraw/zinc/51/97/07/617519707.db2.gz YBNXPPAFJPGFEA-QMMMGPOBSA-N 1 0 281.410 1.890 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000840892561 617679341 /nfs/dbraw/zinc/67/93/41/617679341.db2.gz AXWWRZSLJPJUBM-STQMWFEESA-N 1 0 277.412 1.846 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)[NH3+])c1 ZINC000841990325 620730464 /nfs/dbraw/zinc/73/04/64/620730464.db2.gz ZLWUEWULXQLPEI-RKDXNWHRSA-N 1 0 267.329 1.108 20 10 CDCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000893599827 617644487 /nfs/dbraw/zinc/64/44/87/617644487.db2.gz OROWSQXFAHDXBJ-UHFFFAOYSA-N 1 0 297.420 1.924 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000840952543 617741333 /nfs/dbraw/zinc/74/13/33/617741333.db2.gz DRNDNBVYYJMHAX-MRXNPFEDSA-N 1 0 275.396 1.819 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@@H]2CCOC2)c(O)c1OC ZINC000891935900 617799613 /nfs/dbraw/zinc/79/96/13/617799613.db2.gz SDVLSGMUXUBJAI-LLVKDONJSA-N 1 0 267.325 1.630 20 10 CDCDRO CC1(C)CC[C@@H](CNC(=O)NCc2ccccc2O)[NH2+]C1 ZINC000892388823 618121143 /nfs/dbraw/zinc/12/11/43/618121143.db2.gz YTQCSZMVCRHETL-ZDUSSCGKSA-N 1 0 291.395 1.970 20 10 CDCDRO COc1cc(C)cc(C[N@H+](CC(N)=O)C(C)C)c1O ZINC000893900625 618152960 /nfs/dbraw/zinc/15/29/60/618152960.db2.gz HBNKDSWQHDDXMY-UHFFFAOYSA-N 1 0 266.341 1.405 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c(O)c1OC ZINC000894255461 618280202 /nfs/dbraw/zinc/28/02/02/618280202.db2.gz ZDSPNDCBRUUGHA-JOYOIKCWSA-N 1 0 294.351 1.024 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822502952 618548327 /nfs/dbraw/zinc/54/83/27/618548327.db2.gz BIIUKJUPZZWMIW-GFCCVEGCSA-N 1 0 288.351 1.829 20 10 CDCDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000879163441 618598640 /nfs/dbraw/zinc/59/86/40/618598640.db2.gz UFFJLCCJLIHMPH-OAHLLOKOSA-N 1 0 266.385 1.548 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c(O)c1OC ZINC000894125466 618605717 /nfs/dbraw/zinc/60/57/17/618605717.db2.gz FLXHMOOMBFJFKI-GFCCVEGCSA-N 1 0 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ZINC000794672469 1164533904 /nfs/dbraw/zinc/53/39/04/1164533904.db2.gz LAHJRNSLYOHTBY-ZBFHGGJFSA-N 1 0 293.363 1.555 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)C(F)(F)F ZINC000865712219 1164683897 /nfs/dbraw/zinc/68/38/97/1164683897.db2.gz YBMXLDKPVOVWLL-KSBSHMNSSA-N 1 0 293.241 1.522 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877575407 1166060113 /nfs/dbraw/zinc/06/01/13/1166060113.db2.gz SFODABPQJXWRNX-TZMCWYRMSA-N 1 0 251.326 1.594 20 10 CDCDRO Cc1ccc([C@H]([NH3+])C(=O)NCc2c(O)cccc2O)cc1 ZINC001579668531 1172237868 /nfs/dbraw/zinc/23/78/68/1172237868.db2.gz IFYXRJIWQOMQTP-HNNXBMFYSA-N 1 0 286.331 1.722 20 10 CDCDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000162640139 1180190024 /nfs/dbraw/zinc/19/00/24/1180190024.db2.gz IQUDBGPWVKOPCR-GDBMZVCRSA-N 1 0 289.423 1.958 20 10 CDCDRO COC[C@@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000304071241 1186597225 /nfs/dbraw/zinc/59/72/25/1186597225.db2.gz VNAJYMRSIKZHCF-AWEZNQCLSA-N 1 0 252.358 1.192 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000228414085 1165594244 /nfs/dbraw/zinc/59/42/44/1165594244.db2.gz WFHKCMIFTCXHKX-CYBMUJFWSA-N 1 0 277.320 1.653 20 10 CDCDRO OCCOCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037239932 1165761026 /nfs/dbraw/zinc/76/10/26/1165761026.db2.gz PMFOOROVBHTASI-UHFFFAOYSA-N 1 0 264.369 1.385 20 10 CDCDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809768555 818061130 /nfs/dbraw/zinc/06/11/30/818061130.db2.gz OMUQAXCAKWQIDM-GFCCVEGCSA-N 1 0 297.351 1.339 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000876619312 818068150 /nfs/dbraw/zinc/06/81/50/818068150.db2.gz UCTSIZOVOLVRBB-AWEZNQCLSA-N 1 0 276.380 1.607 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841919649 818115928 /nfs/dbraw/zinc/11/59/28/818115928.db2.gz BNWPRNXSIQDMFI-ZDUSSCGKSA-N 1 0 277.368 1.676 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)cc1 ZINC000866498488 818195461 /nfs/dbraw/zinc/19/54/61/818195461.db2.gz XREZSMSEVZNRGC-DAXOMENPSA-N 1 0 278.396 1.943 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1 ZINC000877693629 818418699 /nfs/dbraw/zinc/41/86/99/818418699.db2.gz MKNNOIYURWYVOO-CPCISQLKSA-N 1 0 279.258 1.802 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H]2O)cc1F ZINC000858182698 818420242 /nfs/dbraw/zinc/42/02/42/818420242.db2.gz DGHXYUWPXAPGRS-DGCLKSJQSA-N 1 0 256.296 1.644 20 10 CDCDRO COc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)c(O)c1 ZINC000822612790 818420257 /nfs/dbraw/zinc/42/02/57/818420257.db2.gz TYVYATWCKAMRJZ-UHFFFAOYSA-N 1 0 294.395 1.995 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000852802701 818422050 /nfs/dbraw/zinc/42/20/50/818422050.db2.gz RQGVLZHQOSQKIM-JOYOIKCWSA-N 1 0 266.341 1.576 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000843831914 818449754 /nfs/dbraw/zinc/44/97/54/818449754.db2.gz SMSWSGOLVRMOQQ-NQBHXWOUSA-N 1 0 292.379 1.918 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNC(=O)C2)c2c1c(F)ccc2O ZINC000840833083 818453164 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NC(=O)CC1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000817410933 818666489 /nfs/dbraw/zinc/66/64/89/818666489.db2.gz JXEHHDNVCYFDPD-UHFFFAOYSA-N 1 0 252.289 1.277 20 10 CDCDRO CCOc1ccc(O)c(CNC[C@H]2CCC[NH2+]2)c1 ZINC000841035797 818702248 /nfs/dbraw/zinc/70/22/48/818702248.db2.gz MNICAGBKUDUOFG-GFCCVEGCSA-N 1 0 250.342 1.633 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709900 818732196 /nfs/dbraw/zinc/73/21/96/818732196.db2.gz OWNCKBNAGCWYOS-ZDUSSCGKSA-N 1 0 290.411 1.681 20 10 CDCDRO COC[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000846166503 818753951 /nfs/dbraw/zinc/75/39/51/818753951.db2.gz XZEMNOQPPUMATP-WDEREUQCSA-N 1 0 269.341 1.713 20 10 CDCDRO C[NH2+]CCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000258771824 818787534 /nfs/dbraw/zinc/78/75/34/818787534.db2.gz OCFXDFQVCHNXBG-UHFFFAOYSA-N 1 0 268.357 1.758 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132916348 818807264 /nfs/dbraw/zinc/80/72/64/818807264.db2.gz SRNXTRLRFBMDRI-LLVKDONJSA-N 1 0 295.358 1.016 20 10 CDCDRO CCO[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300114 818816177 /nfs/dbraw/zinc/81/61/77/818816177.db2.gz MHKUMRSDOCSVQZ-BXUZGUMPSA-N 1 0 279.384 1.294 20 10 CDCDRO CCOC1CC([N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000808213545 818844163 /nfs/dbraw/zinc/84/41/63/818844163.db2.gz MVCQJGJBQBZPQH-KOHJWAIASA-N 1 0 293.363 1.817 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(=O)NC2CC2)[NH+](C)C)cc1 ZINC000049504511 818872031 /nfs/dbraw/zinc/87/20/31/818872031.db2.gz AEZJKROUGNGCFO-HNNXBMFYSA-N 1 0 290.411 1.817 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000824708047 818903504 /nfs/dbraw/zinc/90/35/04/818903504.db2.gz CXDLVMAYVDHTQX-WFASDCNBSA-N 1 0 265.353 1.842 20 10 CDCDRO COCCN(C[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000843359033 819017800 /nfs/dbraw/zinc/01/78/00/819017800.db2.gz DPGOYFSDIVPWCF-NSHDSACASA-N 1 0 268.357 1.504 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccc(C)c1O ZINC000843122806 819044714 /nfs/dbraw/zinc/04/47/14/819044714.db2.gz VCDXTVHNHLRQAM-STQMWFEESA-N 1 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LIGMTTBIPIVDNS-CQSZACIVSA-N 1 0 299.378 1.281 20 10 CDCDRO Cc1nccnc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792602 819260844 /nfs/dbraw/zinc/26/08/44/819260844.db2.gz YOQVYDZTUCXQFL-CQSZACIVSA-N 1 0 299.378 1.281 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC(=O)NCC(F)F)c1O ZINC000846167966 819280844 /nfs/dbraw/zinc/28/08/44/819280844.db2.gz PMNDGIAOFPXJHC-QMMMGPOBSA-N 1 0 288.294 1.433 20 10 CDCDRO O=C(NCc1ccccc1O)C1C[NH+](C2CCOCC2)C1 ZINC000896014963 819302685 /nfs/dbraw/zinc/30/26/85/819302685.db2.gz GEOFACBKDZQPRL-UHFFFAOYSA-N 1 0 290.363 1.119 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1CC12CC[NH2+]CC2 ZINC000228422900 819315883 /nfs/dbraw/zinc/31/58/83/819315883.db2.gz ZRDSOEQFFPFDDI-LBPRGKRZSA-N 1 0 260.337 1.398 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H](O)Cn1cccn1 ZINC000923286693 819326231 /nfs/dbraw/zinc/32/62/31/819326231.db2.gz LLMHKPTYRZENMN-OAHLLOKOSA-N 1 0 286.379 1.156 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CN)C(C)(C)C)c1 ZINC000841086994 819361018 /nfs/dbraw/zinc/36/10/18/819361018.db2.gz HMVNFKNFSATLAT-ZDUSSCGKSA-N 1 0 252.358 1.864 20 10 CDCDRO OC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000184190348 819378104 /nfs/dbraw/zinc/37/81/04/819378104.db2.gz CSISEABFAFWJJP-LBPRGKRZSA-N 1 0 257.717 1.287 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000827650341 819486071 /nfs/dbraw/zinc/48/60/71/819486071.db2.gz OYTGWYBIMVQEEV-UHFFFAOYSA-N 1 0 288.391 1.746 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CN(C(C)=O)CCO2)cc1C ZINC001051382264 819495905 /nfs/dbraw/zinc/49/59/05/819495905.db2.gz YQICCUKYMKIXFJ-HNNXBMFYSA-N 1 0 292.379 1.341 20 10 CDCDRO COc1cccc(CNC(=O)NCC2([NH3+])CCC2)c1O ZINC000841967310 819605140 /nfs/dbraw/zinc/60/51/40/819605140.db2.gz RWTURUYXXPMBRB-UHFFFAOYSA-N 1 0 279.340 1.081 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922304968 819622220 /nfs/dbraw/zinc/62/22/20/819622220.db2.gz CPOMHPNQDIUQCN-UHFFFAOYSA-N 1 0 298.408 1.041 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCCn1cncn1 ZINC000381954586 819674903 /nfs/dbraw/zinc/67/49/03/819674903.db2.gz XJRZEAYHOLCCDT-UHFFFAOYSA-N 1 0 250.277 1.303 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000042171305 819832612 /nfs/dbraw/zinc/83/26/12/819832612.db2.gz PFWHHSCNDUDLHV-ZDUSSCGKSA-N 1 0 261.369 1.511 20 10 CDCDRO CC(=O)c1cc(F)cc(Cn2cc(CCC[NH3+])nn2)c1O ZINC000880996606 819844826 /nfs/dbraw/zinc/84/48/26/819844826.db2.gz XSKJSZCMLMVEDA-UHFFFAOYSA-N 1 0 292.314 1.265 20 10 CDCDRO CCC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000134555280 819848704 /nfs/dbraw/zinc/84/87/04/819848704.db2.gz UODHCCSBCQFOMI-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)CC(N)=O)c1O ZINC000161577012 819855345 /nfs/dbraw/zinc/85/53/45/819855345.db2.gz AVJMEIJIJOQEQJ-VIFPVBQESA-N 1 0 252.314 1.144 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000816660977 819861978 /nfs/dbraw/zinc/86/19/78/819861978.db2.gz XCMRSJXAPRPESB-GFCCVEGCSA-N 1 0 278.352 1.647 20 10 CDCDRO COc1ccc(O)c(CNC(=[NH2+])NCC(F)F)c1 ZINC000887355076 819864629 /nfs/dbraw/zinc/86/46/29/819864629.db2.gz BXAFWBJFMNCUOF-UHFFFAOYSA-N 1 0 259.256 1.280 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848394297 819868357 /nfs/dbraw/zinc/86/83/57/819868357.db2.gz JMAPSALUQLBWSE-HOCLYGCPSA-N 1 0 273.380 1.317 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758830 819890678 /nfs/dbraw/zinc/89/06/78/819890678.db2.gz KHDBUQSZUZDOEN-LBPRGKRZSA-N 1 0 290.411 1.606 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180013022 820010335 /nfs/dbraw/zinc/01/03/35/820010335.db2.gz OVZHIGBDTUKQBV-UHFFFAOYSA-N 1 0 266.316 1.632 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C2(C(=O)NC)CCCC2)c1 ZINC000779175349 820015946 /nfs/dbraw/zinc/01/59/46/820015946.db2.gz DGAFCHFEEDQDCD-UHFFFAOYSA-N 1 0 292.379 1.939 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000877467154 820025223 /nfs/dbraw/zinc/02/52/23/820025223.db2.gz XARBFBWGOBECKK-HUBLWGQQSA-N 1 0 274.364 1.786 20 10 CDCDRO COCCO[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877460597 820066593 /nfs/dbraw/zinc/06/65/93/820066593.db2.gz WKYXLGCUYYLSEX-AWEZNQCLSA-N 1 0 265.353 1.938 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c(O)c1 ZINC000818000978 820306940 /nfs/dbraw/zinc/30/69/40/820306940.db2.gz WUIYKGSWENWRDM-GWCFXTLKSA-N 1 0 278.352 1.405 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841968081 820308190 /nfs/dbraw/zinc/30/81/90/820308190.db2.gz SYWMUKDYSQQGLG-NSHDSACASA-N 1 0 291.395 1.808 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@H](C)[NH3+])C2)cc1 ZINC000831752824 820375884 /nfs/dbraw/zinc/37/58/84/820375884.db2.gz FLPQDNGVKYDWSK-QWHCGFSZSA-N 1 0 291.395 1.375 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccccc1O ZINC000710878888 820397378 /nfs/dbraw/zinc/39/73/78/820397378.db2.gz OFBVVFMKTFNWAU-OUCADQQQSA-N 1 0 251.326 1.583 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC000846162603 820415714 /nfs/dbraw/zinc/41/57/14/820415714.db2.gz IOKMJZRLNBOJCM-AUSHCKSDSA-N 1 0 271.382 1.818 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000827812273 820560997 /nfs/dbraw/zinc/56/09/97/820560997.db2.gz IBRNUAVJZZWFDD-MGCOHNPYSA-N 1 0 265.309 1.442 20 10 CDCDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005568 820624326 /nfs/dbraw/zinc/62/43/26/820624326.db2.gz VTHCKXCJJIAFLL-HNNXBMFYSA-N 1 0 287.407 1.901 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC2(O)CCOCC2)c1 ZINC000237035215 820746922 /nfs/dbraw/zinc/74/69/22/820746922.db2.gz ZOESDAFARUYIRL-UHFFFAOYSA-N 1 0 281.352 1.422 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846075489 820787934 /nfs/dbraw/zinc/78/79/34/820787934.db2.gz PABGSHPCKHDEJB-NSHDSACASA-N 1 0 290.363 1.501 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1Cl ZINC000825731145 820805182 /nfs/dbraw/zinc/80/51/82/820805182.db2.gz DANCZWAWPZHDBQ-HZMBPMFUSA-N 1 0 285.771 1.984 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC1CC1 ZINC000062801572 820805425 /nfs/dbraw/zinc/80/54/25/820805425.db2.gz GNYKGQMNFBTPMW-UHFFFAOYSA-N 1 0 259.353 1.177 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775103448 820806965 /nfs/dbraw/zinc/80/69/65/820806965.db2.gz XZMIYRPTVSLQHY-WPRPVWTQSA-N 1 0 282.296 1.264 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000846143085 820825055 /nfs/dbraw/zinc/82/50/55/820825055.db2.gz APNCLPQWPMRRLV-GWCFXTLKSA-N 1 0 291.351 1.519 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)N(C)Cc1ccccc1O ZINC000842009261 820829546 /nfs/dbraw/zinc/82/95/46/820829546.db2.gz ZHJOYOADQHGWFP-NSHDSACASA-N 1 0 251.330 1.271 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320527 820862182 /nfs/dbraw/zinc/86/21/82/820862182.db2.gz KUPXOKPDZAWITM-LBPRGKRZSA-N 1 0 293.436 1.451 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CCC(O)CC2)c1O ZINC000846168854 820881710 /nfs/dbraw/zinc/88/17/10/820881710.db2.gz MRWCMUUKLXVWRL-LBPRGKRZSA-N 1 0 294.395 1.508 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000848916733 820882902 /nfs/dbraw/zinc/88/29/02/820882902.db2.gz LQWDUIZQYGICMM-AWEZNQCLSA-N 1 0 276.380 1.865 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000876656498 820953927 /nfs/dbraw/zinc/95/39/27/820953927.db2.gz BWSHJWMSKMPECY-UHFFFAOYSA-N 1 0 263.341 1.287 20 10 CDCDRO CCOc1cccc(C[NH2+]CCOCCF)c1O ZINC000702653516 821018763 /nfs/dbraw/zinc/01/87/63/821018763.db2.gz FSVKQSKWTZSANO-UHFFFAOYSA-N 1 0 257.305 1.867 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CCc3cccc(O)c31)C2 ZINC000848563895 821036683 /nfs/dbraw/zinc/03/66/83/821036683.db2.gz YQSYFAFCKARMIU-RYUDHWBXSA-N 1 0 284.363 1.655 20 10 CDCDRO CC(C)CNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109771847 821038353 /nfs/dbraw/zinc/03/83/53/821038353.db2.gz KTGGUCCCJKASNE-UHFFFAOYSA-N 1 0 293.367 1.306 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000082698425 821081115 /nfs/dbraw/zinc/08/11/15/821081115.db2.gz BKYUXXNNYGXWCD-HNNXBMFYSA-N 1 0 259.353 1.023 20 10 CDCDRO O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305720139 821134837 /nfs/dbraw/zinc/13/48/37/821134837.db2.gz AHVHKNAQZMQPDH-MRXNPFEDSA-N 1 0 276.380 1.480 20 10 CDCDRO Nc1nc(NCc2ccc(N3CCCC3)cc2)nc(N)[nH+]1 ZINC000858347349 821224991 /nfs/dbraw/zinc/22/49/91/821224991.db2.gz WKGDCWVORZCASE-UHFFFAOYSA-N 1 0 285.355 1.248 20 10 CDCDRO CC[C@@H](C)[N@H+](CCO)Cc1cccc(OC)c1O ZINC000862386727 821349557 /nfs/dbraw/zinc/34/95/57/821349557.db2.gz ATMCFNSZUYXVBO-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000817958426 821604974 /nfs/dbraw/zinc/60/49/74/821604974.db2.gz JMQJQNYXACZMDN-ZWNOBZJWSA-N 1 0 280.368 1.813 20 10 CDCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877460598 821656156 /nfs/dbraw/zinc/65/61/56/821656156.db2.gz WKYXLGCUYYLSEX-CQSZACIVSA-N 1 0 265.353 1.938 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)COCC[NH3+] ZINC000828145122 821872558 /nfs/dbraw/zinc/87/25/58/821872558.db2.gz YXCWZDUTSOKHFS-UHFFFAOYSA-N 1 0 266.341 1.106 20 10 CDCDRO CC1(C)CC[NH2+][C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000852795586 821874336 /nfs/dbraw/zinc/87/43/36/821874336.db2.gz ISZHWRSAEBMXRC-ZDUSSCGKSA-N 1 0 261.369 1.316 20 10 CDCDRO CCS(=O)(=O)NCCC[NH2+]Cc1c(C)cccc1O ZINC000876991765 821894611 /nfs/dbraw/zinc/89/46/11/821894611.db2.gz ULBJHZVJZMYLLV-UHFFFAOYSA-N 1 0 286.397 1.120 20 10 CDCDRO N[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000841034814 821895484 /nfs/dbraw/zinc/89/54/84/821895484.db2.gz CZNPQGHYNHARIR-CYBMUJFWSA-N 1 0 286.331 1.911 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCC1CC1 ZINC000062801573 821897868 /nfs/dbraw/zinc/89/78/68/821897868.db2.gz GWEVONKFTVDYGC-UHFFFAOYSA-N 1 0 273.380 1.424 20 10 CDCDRO CCCCN(Cc1ccccc1O)c1nc(N)[nH+]c(N)n1 ZINC000858532120 822031983 /nfs/dbraw/zinc/03/19/83/822031983.db2.gz GZQQRPAIKHOKHL-UHFFFAOYSA-N 1 0 288.355 1.548 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000846677002 822065638 /nfs/dbraw/zinc/06/56/38/822065638.db2.gz MARMSTJWCYWFMW-VXGBXAGGSA-N 1 0 292.379 1.968 20 10 CDCDRO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817942913 822067464 /nfs/dbraw/zinc/06/74/64/822067464.db2.gz RNHBAPVSRHZDKD-DAXOMENPSA-N 1 0 277.412 1.767 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC(O)C1 ZINC000877343831 822087623 /nfs/dbraw/zinc/08/76/23/822087623.db2.gz AENWSMMTQUMBRN-UHFFFAOYSA-N 1 0 290.407 1.603 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000132924964 822098669 /nfs/dbraw/zinc/09/86/69/822098669.db2.gz NOTFZDOSTPXZEO-SMDDNHRTSA-N 1 0 261.369 1.410 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000825196414 822163911 /nfs/dbraw/zinc/16/39/11/822163911.db2.gz GDUUKTBEFUJUOA-UKRRQHHQSA-N 1 0 265.353 1.897 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(C)cccc3O)C[C@@H]21 ZINC000877547350 822209600 /nfs/dbraw/zinc/20/96/00/822209600.db2.gz UYWNBNUOOPUWBL-IMRBUKKESA-N 1 0 261.321 1.551 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000876878505 822249599 /nfs/dbraw/zinc/24/95/99/822249599.db2.gz FAEJKQJWWNNQJL-VHSXEESVSA-N 1 0 266.341 1.576 20 10 CDCDRO C[N@H+](CCS(N)(=O)=O)Cc1ccc2ccccc2c1O ZINC000877826242 822308831 /nfs/dbraw/zinc/30/88/31/822308831.db2.gz VPSICCPVQZNNJI-UHFFFAOYSA-N 1 0 294.376 1.266 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000876892529 822359538 /nfs/dbraw/zinc/35/95/38/822359538.db2.gz QZQJQPSWXONNCO-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(OC)CCOC2)c(O)c1 ZINC000122919450 822373545 /nfs/dbraw/zinc/37/35/45/822373545.db2.gz YOVJQLRYNJLLQF-CQSZACIVSA-N 1 0 267.325 1.296 20 10 CDCDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924902126 822397317 /nfs/dbraw/zinc/39/73/17/822397317.db2.gz XAIROYUHSWDFIQ-SMDDNHRTSA-N 1 0 274.364 1.768 20 10 CDCDRO C[N@H+](CCO)Cc1c(O)cccc1Br ZINC000862211286 822442136 /nfs/dbraw/zinc/44/21/36/822442136.db2.gz GLACIQKULBIGJV-UHFFFAOYSA-N 1 0 260.131 1.579 20 10 CDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000844177230 822467692 /nfs/dbraw/zinc/46/76/92/822467692.db2.gz CPTIWISLQULOSB-SMDDNHRTSA-N 1 0 293.386 1.896 20 10 CDCDRO CC[NH2+]CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841934901 822473000 /nfs/dbraw/zinc/47/30/00/822473000.db2.gz NAPVZCSPFSGWDG-SNVBAGLBSA-N 1 0 281.356 1.371 20 10 CDCDRO Oc1c(C[NH2+]CCN2CC[C@H](O)C2)ccc2ccccc21 ZINC000862551035 822479182 /nfs/dbraw/zinc/47/91/82/822479182.db2.gz JUAVXZIOVFGWFG-HNNXBMFYSA-N 1 0 286.375 1.702 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CCc1c[nH]cn1 ZINC000276490594 822491648 /nfs/dbraw/zinc/49/16/48/822491648.db2.gz UTIDSXKZFUTGBE-UHFFFAOYSA-N 1 0 259.309 1.707 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121644 822537747 /nfs/dbraw/zinc/53/77/47/822537747.db2.gz NFDWGZXYQSYMBB-NSHDSACASA-N 1 0 282.359 1.257 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1F ZINC000886260349 822538553 /nfs/dbraw/zinc/53/85/53/822538553.db2.gz VGUBALYQLBAPBF-DVSIDAKKSA-N 1 0 296.386 1.646 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000876713830 822559979 /nfs/dbraw/zinc/55/99/79/822559979.db2.gz UJCBKEBFFHXGJF-UONOGXRCSA-N 1 0 275.396 1.742 20 10 CDCDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(Cl)cc1O ZINC000841752325 822566485 /nfs/dbraw/zinc/56/64/85/822566485.db2.gz OHYLUVSSJKGQRY-QMMMGPOBSA-N 1 0 297.742 1.248 20 10 CDCDRO COC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000827929140 822580621 /nfs/dbraw/zinc/58/06/21/822580621.db2.gz GKUVRMDCFVLDMO-UHFFFAOYSA-N 1 0 282.315 1.852 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1cc(F)ccc1O ZINC000817984172 822581217 /nfs/dbraw/zinc/58/12/17/822581217.db2.gz VRSXNSNVKIMKKC-MWLCHTKSSA-N 1 0 254.305 1.170 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000848902006 822604589 /nfs/dbraw/zinc/60/45/89/822604589.db2.gz IPAQOQPANCZUBY-OAHLLOKOSA-N 1 0 276.380 1.471 20 10 CDCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CC[NH2+]CC2)c1[O-] ZINC000841026694 822616350 /nfs/dbraw/zinc/61/63/50/822616350.db2.gz PIEASTKCNOOYJL-UHFFFAOYSA-N 1 0 285.731 1.795 20 10 CDCDRO CCO[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015724 912675205 /nfs/dbraw/zinc/67/52/05/912675205.db2.gz ZBOGROUFUWFTJO-SNVBAGLBSA-N 1 0 253.298 1.414 20 10 CDCDRO c1nnn([C@H]2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)n1 ZINC001173742359 912775083 /nfs/dbraw/zinc/77/50/83/912775083.db2.gz OBJGVUWWQYTQNC-GJZGRUSLSA-N 1 0 299.378 1.882 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588405199 895842866 /nfs/dbraw/zinc/84/28/66/895842866.db2.gz XVSWKNUODROATJ-VGVVRCBHSA-N 1 0 290.363 1.569 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000280314517 897854847 /nfs/dbraw/zinc/85/48/47/897854847.db2.gz PVDGGNNIYCXWEX-IUODEOHRSA-N 1 0 276.380 1.994 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1 ZINC001272622602 914201527 /nfs/dbraw/zinc/20/15/27/914201527.db2.gz PDSXXHSNPJAYSV-INIZCTEOSA-N 1 0 274.364 1.755 20 10 CDCDRO Oc1ccc(Cl)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312416412 899813282 /nfs/dbraw/zinc/81/32/82/899813282.db2.gz SMJHOJIEKQKFQA-CQSZACIVSA-N 1 0 295.814 1.525 20 10 CDCDRO OC[C@@]1(F)CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141155971 899821316 /nfs/dbraw/zinc/82/13/16/899821316.db2.gz CGJAXMLNNQVFPZ-CQSZACIVSA-N 1 0 269.316 1.784 20 10 CDCDRO Oc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC001141160242 899832564 /nfs/dbraw/zinc/83/25/64/899832564.db2.gz URCPOIQFIGCPDB-CYBMUJFWSA-N 1 0 262.353 1.768 20 10 CDCDRO Oc1ccc(C[NH2+][C@H]2CCCC3(C2)OCCO3)cc1O ZINC000715729312 921186037 /nfs/dbraw/zinc/18/60/37/921186037.db2.gz BZKWWIMHSUTEDV-LBPRGKRZSA-N 1 0 279.336 1.873 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)CCC[NH3+])CC2)cc1 ZINC000237279357 906489511 /nfs/dbraw/zinc/48/95/11/906489511.db2.gz HCSSVPKFRMIZHQ-UHFFFAOYSA-N 1 0 291.395 1.519 20 10 CDCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001172596315 911763628 /nfs/dbraw/zinc/76/36/28/911763628.db2.gz YHPOKJIHOQPAEH-STQMWFEESA-N 1 0 293.363 1.962 20 10 CDCDRO CO[C@@H]1CCC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001172918905 912060679 /nfs/dbraw/zinc/06/06/79/912060679.db2.gz MCBDWTSRMZJDBT-VXGBXAGGSA-N 1 0 279.336 1.828 20 10 CDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(Cl)ccc2O)C1 ZINC001206403656 916005078 /nfs/dbraw/zinc/00/50/78/916005078.db2.gz JBFGNBFPLADKOE-GHMZBOCLSA-N 1 0 258.724 1.917 20 10 CDCDRO CO[C@H](C[NH3+])CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597493 936464282 /nfs/dbraw/zinc/46/42/82/936464282.db2.gz LEJLQPIEXFNXHR-LBPRGKRZSA-N 1 0 292.379 1.251 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCC(=O)C3)cc2)CC1 ZINC001139409753 936617990 /nfs/dbraw/zinc/61/79/90/936617990.db2.gz RBERHEIXYKXXNS-UHFFFAOYSA-N 1 0 273.380 1.213 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H](CO)C2)c1O ZINC001140178267 936684623 /nfs/dbraw/zinc/68/46/23/936684623.db2.gz GGRYEDKNMIIXTM-GFCCVEGCSA-N 1 0 251.326 1.202 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001203681252 920978372 /nfs/dbraw/zinc/97/83/72/920978372.db2.gz RILWPCQQEGMPLQ-CZUORRHYSA-N 1 0 276.380 1.784 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@](C)(O)C2)c1 ZINC001140619354 936731230 /nfs/dbraw/zinc/73/12/30/936731230.db2.gz BSRLLMKKOWOSDR-CQSZACIVSA-N 1 0 251.326 1.284 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2CN(C)C)c1O ZINC001140745936 936748935 /nfs/dbraw/zinc/74/89/35/936748935.db2.gz QADBTQPBUVUFAN-ZDUSSCGKSA-N 1 0 264.369 1.932 20 10 CDCDRO Cc1c(O)ccc(CN2CCOC[C@H]2C[NH+](C)C)c1O ZINC001140747991 936749736 /nfs/dbraw/zinc/74/97/36/936749736.db2.gz QHFSMFKLIMJNDN-CYBMUJFWSA-N 1 0 280.368 1.169 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000689587412 936775695 /nfs/dbraw/zinc/77/56/95/936775695.db2.gz OPHIONAZCBOEGR-UHFFFAOYSA-N 1 0 266.341 1.791 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC001140921339 936776316 /nfs/dbraw/zinc/77/63/16/936776316.db2.gz AXUIKIIAJWISQD-DOMZBBRYSA-N 1 0 298.814 1.581 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c(O)c1 ZINC001140948274 936782538 /nfs/dbraw/zinc/78/25/38/936782538.db2.gz AYYSHVPBVRABLL-UHFFFAOYSA-N 1 0 290.407 1.997 20 10 CDCDRO OC[C@@H]1C[C@H]2OCCN(Cc3cc(O)ccc3O)[C@H]2C1 ZINC001141156026 936821408 /nfs/dbraw/zinc/82/14/08/936821408.db2.gz CYVNDZHRTFATPW-VZJVUDMVSA-N 1 0 279.336 1.070 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC001141160286 936822142 /nfs/dbraw/zinc/82/21/42/936822142.db2.gz VLYBAVDLCKEESL-LBPRGKRZSA-N 1 0 274.324 1.526 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@](C)(CO)C3)ccc21 ZINC001141140182 936818420 /nfs/dbraw/zinc/81/84/20/936818420.db2.gz IWTFNKMMPBNKCJ-MRXNPFEDSA-N 1 0 276.380 1.720 20 10 CDCDRO COc1cc(C(=O)N[C@]2(C)CCC[N@H+](C)C2)cc(O)c1O ZINC001193119668 923463831 /nfs/dbraw/zinc/46/38/31/923463831.db2.gz KEMZHTATNYEOII-OAHLLOKOSA-N 1 0 294.351 1.321 20 10 CDCDRO C[NH+](C)C1CN(C(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193210120 923533523 /nfs/dbraw/zinc/53/35/23/923533523.db2.gz UQPAHYYTZSVPRU-UHFFFAOYSA-N 1 0 270.716 1.137 20 10 CDCDRO COCCCNC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000839539356 936914634 /nfs/dbraw/zinc/91/46/34/936914634.db2.gz KZHZYGFUPRUKMJ-NSHDSACASA-N 1 0 296.367 1.204 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[NH+](C)C ZINC000839918869 936929157 /nfs/dbraw/zinc/92/91/57/936929157.db2.gz OAGLVDHAMGEXAY-ZDUSSCGKSA-N 1 0 277.412 1.670 20 10 CDCDRO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841038605 936973195 /nfs/dbraw/zinc/97/31/95/936973195.db2.gz LSRZWEYKWCWTJU-INIZCTEOSA-N 1 0 291.439 1.986 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(O)c(O)c2)C1 ZINC001205807057 925170614 /nfs/dbraw/zinc/17/06/14/925170614.db2.gz XQFABYXRLXMOMC-JQWIXIFHSA-N 1 0 250.342 1.657 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205842944 925445732 /nfs/dbraw/zinc/44/57/32/925445732.db2.gz QAXSSHGPNCIMNG-YPMHNXCESA-N 1 0 294.395 1.969 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000843070696 937110228 /nfs/dbraw/zinc/11/02/28/937110228.db2.gz WYERWSIUUWCWLQ-KRWDZBQOSA-N 1 0 289.423 1.836 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccccc1O ZINC000783521436 937274705 /nfs/dbraw/zinc/27/47/05/937274705.db2.gz XZWYSFLDZSYQTR-JTQLQIEISA-N 1 0 271.320 1.737 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CC(C)(C)O)cc1F ZINC000858133733 928811706 /nfs/dbraw/zinc/81/17/06/928811706.db2.gz WLUYKOFYANDJQU-UHFFFAOYSA-N 1 0 258.312 1.891 20 10 CDCDRO Nc1nc(NCc2ccc(N3CCCCC3)cc2)nc(N)[nH+]1 ZINC000858366956 928848536 /nfs/dbraw/zinc/84/85/36/928848536.db2.gz FZWRIEQCKZHHSR-UHFFFAOYSA-N 1 0 299.382 1.638 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)c2c1c(F)ccc2O ZINC000858546950 928884423 /nfs/dbraw/zinc/88/44/23/928884423.db2.gz BJFPSVWJTNVURJ-LOWVWBTDSA-N 1 0 294.370 1.736 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NC ZINC000697822388 937286885 /nfs/dbraw/zinc/28/68/85/937286885.db2.gz BSEAFQRMSMQACF-SNVBAGLBSA-N 1 0 256.733 1.660 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)C[C@H](C)[NH3+])c1O ZINC000863565172 929570702 /nfs/dbraw/zinc/57/07/02/929570702.db2.gz BCUIEKYMPNBAOL-QMMMGPOBSA-N 1 0 254.305 1.513 20 10 CDCDRO COC[C@H]([NH2+]CCc1ccc(N)cc1)C1CCOCC1 ZINC000817958805 930645791 /nfs/dbraw/zinc/64/57/91/930645791.db2.gz YKYAPJHUKMTOEH-INIZCTEOSA-N 1 0 278.396 1.843 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000819358291 930793309 /nfs/dbraw/zinc/79/33/09/930793309.db2.gz CGHKKVGYFBRHRT-SNVBAGLBSA-N 1 0 286.322 1.272 20 10 CDCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001153889719 937480939 /nfs/dbraw/zinc/48/09/39/937480939.db2.gz QKDRYLVMZXJMON-CQSZACIVSA-N 1 0 292.379 1.834 20 10 CDCDRO CN1CCc2c1cccc2C(=O)N(CC[NH3+])c1cccnc1 ZINC001154156996 937511228 /nfs/dbraw/zinc/51/12/28/937511228.db2.gz NCSSRYMHHOWXRJ-UHFFFAOYSA-N 1 0 296.374 1.679 20 10 CDCDRO Cn1cc(C[N@H+](C)Cc2c(O)cc(O)cc2O)cn1 ZINC001144499856 931858885 /nfs/dbraw/zinc/85/88/85/931858885.db2.gz MHQTWDCMPBWQJM-UHFFFAOYSA-N 1 0 263.297 1.169 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCCO1 ZINC001144500501 931860344 /nfs/dbraw/zinc/86/03/44/931860344.db2.gz VBHLFXVAWHPXPO-SECBINFHSA-N 1 0 253.298 1.414 20 10 CDCDRO C[C@@]1(CO)CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144503747 931863971 /nfs/dbraw/zinc/86/39/71/931863971.db2.gz BPPGRWAMECXJJE-OAHLLOKOSA-N 1 0 281.352 1.788 20 10 CDCDRO OCC[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514626 931877873 /nfs/dbraw/zinc/87/78/73/931877873.db2.gz MJJJRWGPXNRTIK-JTQLQIEISA-N 1 0 267.325 1.398 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(CSC3)C2)c(O)c1 ZINC001144515909 931881508 /nfs/dbraw/zinc/88/15/08/931881508.db2.gz IVQHGEOBMWEGLT-UHFFFAOYSA-N 1 0 253.323 1.352 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846158294 931982814 /nfs/dbraw/zinc/98/28/14/931982814.db2.gz WKNHJPMYWTZJKU-UHTWSYAYSA-N 1 0 292.379 1.966 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@@H]21 ZINC001161085452 932639361 /nfs/dbraw/zinc/63/93/61/932639361.db2.gz YCLCHIXCHAITTR-ZFWWWQNUSA-N 1 0 273.380 1.364 20 10 CDCDRO C[C@H](O)[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929294514 933222950 /nfs/dbraw/zinc/22/29/50/933222950.db2.gz DYUZOSXZCFFSOM-BLLLJJGKSA-N 1 0 278.396 1.459 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)COC(C)=O)c1 ZINC001120034143 937775609 /nfs/dbraw/zinc/77/56/09/937775609.db2.gz YZIOKSMGTQLRIH-VIFPVBQESA-N 1 0 253.298 1.442 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cc(C)nn2C)c(O)c1 ZINC000688953672 934757096 /nfs/dbraw/zinc/75/70/96/934757096.db2.gz FRXMWRZRHCSNRM-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC(C)(C)O ZINC000093414707 934908635 /nfs/dbraw/zinc/90/86/35/934908635.db2.gz CBSPHZSNDCBJEY-UHFFFAOYSA-N 1 0 253.298 1.324 20 10 CDCDRO Cc1cccc(CNc2ncc3c(n2)CC[NH2+]C3)c1O ZINC001160765044 938825405 /nfs/dbraw/zinc/82/54/05/938825405.db2.gz QSZILWOLUDFADD-UHFFFAOYSA-N 1 0 270.336 1.748 20 10 CDCDRO CCN1CCN(Cc2ccc(OC)cc2O)CC1=O ZINC001203629012 939697654 /nfs/dbraw/zinc/69/76/54/939697654.db2.gz NQFQFVSMAREBRQ-UHFFFAOYSA-N 1 0 264.325 1.065 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c1 ZINC001203671243 939700017 /nfs/dbraw/zinc/70/00/17/939700017.db2.gz LOXMWVIJUZWIGV-OAHLLOKOSA-N 1 0 276.336 1.113 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@]1(C)O ZINC001203875501 939710383 /nfs/dbraw/zinc/71/03/83/939710383.db2.gz NXSZPGFHCRAXAP-YGRLFVJLSA-N 1 0 251.326 1.691 20 10 CDCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1ccc(O)c(O)c1)CC2 ZINC001203880761 939711571 /nfs/dbraw/zinc/71/15/71/939711571.db2.gz YUXGUIUGLPIZGD-UHFFFAOYSA-N 1 0 286.331 1.799 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)cc1 ZINC001203929980 939714451 /nfs/dbraw/zinc/71/44/51/939714451.db2.gz MKZLOAONYNDZHS-ZIAGYGMSSA-N 1 0 252.333 1.657 20 10 CDCDRO Oc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC001204274999 939750239 /nfs/dbraw/zinc/75/02/39/939750239.db2.gz KRMZJASKHKTFFX-OAHLLOKOSA-N 1 0 292.379 1.394 20 10 CDCDRO C[C@]1(O)COCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204324577 939755768 /nfs/dbraw/zinc/75/57/68/939755768.db2.gz NGAZLBFOLUJGBJ-QGZVFWFLSA-N 1 0 290.407 1.870 20 10 CDCDRO CC1([NH3+])CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001204985474 939811903 /nfs/dbraw/zinc/81/19/03/939811903.db2.gz KEPDIPLBXRJSLR-UHFFFAOYSA-N 1 0 276.258 1.824 20 10 CDCDRO Cn1ccc(-c2ccc(OCCC[NH+](C)C)nc2)cc1=O ZINC001205225461 939838496 /nfs/dbraw/zinc/83/84/96/939838496.db2.gz KDAKXLYVZMTEHI-UHFFFAOYSA-N 1 0 287.363 1.778 20 10 CDCDRO [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001205674045 939915442 /nfs/dbraw/zinc/91/54/42/939915442.db2.gz YBIYYNIKECYOTR-CQSZACIVSA-N 1 0 268.332 1.207 20 10 CDCDRO C[C@@H]1CCN(Cc2cc(Cl)c(O)cc2O)C[C@@H]1[NH3+] ZINC001205881033 939950304 /nfs/dbraw/zinc/95/03/04/939950304.db2.gz VPFFWGCJSGUGLW-KCJUWKMLSA-N 1 0 270.760 1.920 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001206490385 940049167 /nfs/dbraw/zinc/04/91/67/940049167.db2.gz BDHVWTFKVUJSDA-WRWORJQWSA-N 1 0 291.178 1.450 20 10 CDCDRO CC1(C)OC[C@H](C[N@@H+]2CCCc3cc(O)c(O)cc3C2)O1 ZINC001207932438 940265758 /nfs/dbraw/zinc/26/57/58/940265758.db2.gz XWIKNNNBMVTTEN-ZDUSSCGKSA-N 1 0 293.363 1.998 20 10 CDCDRO N[C@]1(c2nnc(-c3ccc(-n4cccc4)cc3)o2)CC[NH2+]C1 ZINC001217735607 941014676 /nfs/dbraw/zinc/01/46/76/941014676.db2.gz AKRIDNUNMMBKDD-MRXNPFEDSA-N 1 0 295.346 1.675 20 10 CDCDRO Oc1ccc(O)c(CN2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222250059 941578194 /nfs/dbraw/zinc/57/81/94/941578194.db2.gz ZLALCXNINDUTSJ-HNNXBMFYSA-N 1 0 262.353 1.816 20 10 CDCDRO COc1ccc(N2CC3(CC[N@@H+]3CCn3ccnc3)C2)cc1 ZINC001276927152 941702795 /nfs/dbraw/zinc/70/27/95/941702795.db2.gz MTBYSPRLEAALFL-UHFFFAOYSA-N 1 0 298.390 1.856 20 10 CDCDRO CN(C)C(=O)C12CC([NH2+]Cc3ccc(O)cc3O)(C1)C2 ZINC001277193057 942157159 /nfs/dbraw/zinc/15/71/59/942157159.db2.gz XOISVVFYCWAYFY-UHFFFAOYSA-N 1 0 276.336 1.198 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1O ZINC001231592181 942939140 /nfs/dbraw/zinc/93/91/40/942939140.db2.gz FMYYMJAYPGYEIC-FICVDOATSA-N 1 0 288.391 1.903 20 10 CDCDRO Cc1cccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c1O ZINC001231595496 942941101 /nfs/dbraw/zinc/94/11/01/942941101.db2.gz XIVIORVVEHAZHM-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)c(O)cc1O ZINC001231634116 942950336 /nfs/dbraw/zinc/95/03/36/942950336.db2.gz IIJAGKAESHUMPM-LLVKDONJSA-N 1 0 267.325 1.717 20 10 CDCDRO COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)c(O)cc1O ZINC001231635428 942951700 /nfs/dbraw/zinc/95/17/00/942951700.db2.gz YOBIQNDNQCLVCQ-UHFFFAOYSA-N 1 0 294.351 1.161 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCO1 ZINC001231848753 943029731 /nfs/dbraw/zinc/02/97/31/943029731.db2.gz LETWBKLMNQQPBU-ZDUSSCGKSA-N 1 0 265.353 1.856 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCOC3)cc1Cl ZINC001232260940 943193217 /nfs/dbraw/zinc/19/32/17/943193217.db2.gz TZLGFMZNBOBSKX-UHFFFAOYSA-N 1 0 269.728 1.974 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CO)c(O)c1 ZINC001232835165 943412517 /nfs/dbraw/zinc/41/25/17/943412517.db2.gz YMKXBJKNTOIEHK-AWEZNQCLSA-N 1 0 264.369 1.805 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232837034 943414471 /nfs/dbraw/zinc/41/44/71/943414471.db2.gz ZSNKZDCIWSEPHW-LLVKDONJSA-N 1 0 250.342 1.679 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C[C@]1(C)O ZINC001233010790 943459976 /nfs/dbraw/zinc/45/99/76/943459976.db2.gz ULYPLJHXOWGNMD-OTYXRUKQSA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cc(C[N@@H+]2CCCC[C@@](O)(CF)C2)cc(O)c1O ZINC001233010331 943460499 /nfs/dbraw/zinc/46/04/99/943460499.db2.gz OSGSHKGJKLRRID-CQSZACIVSA-N 1 0 285.315 1.490 20 10 CDCDRO Oc1cc(CN2CC[C@]23CCOC3)cc(O)c1O ZINC001233016245 943464832 /nfs/dbraw/zinc/46/48/32/943464832.db2.gz QDSKZGDGBIRSPF-CYBMUJFWSA-N 1 0 251.282 1.168 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[NH+]2CC(C(N)=O)C2)c1 ZINC001233286583 943531484 /nfs/dbraw/zinc/53/14/84/943531484.db2.gz ZRWAJMLWZLIDHN-UHFFFAOYSA-N 1 0 262.353 1.607 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CC[C@]1(C)O ZINC001233483107 943592543 /nfs/dbraw/zinc/59/25/43/943592543.db2.gz OBUKQUSWSVLKPH-OTYXRUKQSA-N 1 0 267.325 1.396 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485882 943593736 /nfs/dbraw/zinc/59/37/36/943593736.db2.gz OOMNLUDIMYBILC-CYBMUJFWSA-N 1 0 253.298 1.150 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(CSC3)C2)cc1O ZINC001233487231 943596019 /nfs/dbraw/zinc/59/60/19/943596019.db2.gz VRWNEESALDCZID-UHFFFAOYSA-N 1 0 253.323 1.352 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001234473590 943857964 /nfs/dbraw/zinc/85/79/64/943857964.db2.gz IKLKCHYJMUIPQT-OAHLLOKOSA-N 1 0 277.320 1.773 20 10 CDCDRO CC[NH+]1CCN(c2ccc(O[C@H](C)CON)cc2)CC1 ZINC001234662357 943933783 /nfs/dbraw/zinc/93/37/83/943933783.db2.gz ZMSYWWCWWQVGCR-CYBMUJFWSA-N 1 0 279.384 1.486 20 10 CDCDRO C[N@@H+]1CC[C@H](CC(=O)NCc2cccc(O)c2O)C1 ZINC001263894370 944023220 /nfs/dbraw/zinc/02/32/20/944023220.db2.gz CZZFNTQCZQQDHP-SNVBAGLBSA-N 1 0 264.325 1.056 20 10 CDCDRO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C[C@@H](O)CO ZINC001235684524 944245279 /nfs/dbraw/zinc/24/52/79/944245279.db2.gz YDTFPQBMSWUJHM-CYBMUJFWSA-N 1 0 267.369 1.475 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(OC)c1 ZINC001235987413 944351835 /nfs/dbraw/zinc/35/18/35/944351835.db2.gz FSPGXOJZLOXNPZ-ZUZCIYMTSA-N 1 0 278.352 1.333 20 10 CDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC001235990653 944355546 /nfs/dbraw/zinc/35/55/46/944355546.db2.gz KLSVDTCGSWCFDV-TVQRCGJNSA-N 1 0 252.745 1.969 20 10 CDCDRO Cc1cc(F)cc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235992466 944357166 /nfs/dbraw/zinc/35/71/66/944357166.db2.gz KVDYXFWMTMECSQ-FZMZJTMJSA-N 1 0 250.317 1.763 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(O)cccc1Cl ZINC001236199593 944429012 /nfs/dbraw/zinc/42/90/12/944429012.db2.gz PLTJKIKOZBMSBE-KWQFWETISA-N 1 0 284.743 1.120 20 10 CDCDRO Oc1cccc(Br)c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236286139 944444843 /nfs/dbraw/zinc/44/48/43/944444843.db2.gz LCSSOTAIVVECLV-GZMMTYOYSA-N 1 0 283.169 1.558 20 10 CDCDRO c1c(CN2C[C@H]3C[NH2+]C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001236297291 944456429 /nfs/dbraw/zinc/45/64/29/944456429.db2.gz UVAHUZYJCWOACC-SJORKVTESA-N 1 0 283.419 1.789 20 10 CDCDRO [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314428 944464710 /nfs/dbraw/zinc/46/47/10/944464710.db2.gz DZYKFCZQLRGQCZ-TXEJJXNPSA-N 1 0 264.344 1.963 20 10 CDCDRO COC(=O)[C@H]1CN(Cc2ccc(C(C)C)cc2O)C[C@@H]1[NH3+] ZINC001236347110 944478965 /nfs/dbraw/zinc/47/89/65/944478965.db2.gz AGIDYXIPSHQYPG-KBPBESRZSA-N 1 0 292.379 1.448 20 10 CDCDRO CC[NH2+]CCN1CCN(c2ccc(OC)cc2C)CC1 ZINC001236366835 944484861 /nfs/dbraw/zinc/48/48/61/944484861.db2.gz HLSNEEQCSOGZCI-UHFFFAOYSA-N 1 0 277.412 1.735 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1c(O)cc(OC)cc1Cl ZINC001236799350 944570899 /nfs/dbraw/zinc/57/08/99/944570899.db2.gz MYPFLOCWIXXYNA-UHFFFAOYSA-N 1 0 286.759 1.622 20 10 CDCDRO CCc1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c(O)c1 ZINC001236792366 944571619 /nfs/dbraw/zinc/57/16/19/944571619.db2.gz QDYFKFJDLAZXHF-NHAGDIPZSA-N 1 0 275.348 1.805 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001236807693 944577066 /nfs/dbraw/zinc/57/70/66/944577066.db2.gz JLKFNRZVQWFQAY-INIZCTEOSA-N 1 0 293.363 1.701 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236816755 944578905 /nfs/dbraw/zinc/57/89/05/944578905.db2.gz WFAQISMBKDWXDB-AWEZNQCLSA-N 1 0 292.379 1.810 20 10 CDCDRO COc1cc(C)c(CN2CC([NH+]3CCCC3)C2)c(O)c1 ZINC001236814866 944579365 /nfs/dbraw/zinc/57/93/65/944579365.db2.gz XKKCSCRRDZCGKC-UHFFFAOYSA-N 1 0 276.380 1.989 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c(OC)c1 ZINC001237671659 944917473 /nfs/dbraw/zinc/91/74/73/944917473.db2.gz DOTGCUZPJWTEOW-RYUDHWBXSA-N 1 0 285.315 1.314 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)cc(OC)c2O)[C@H](C)C1 ZINC001237676517 944919489 /nfs/dbraw/zinc/91/94/89/944919489.db2.gz JWXRQAVTONZKFU-GFCCVEGCSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237675362 944919688 /nfs/dbraw/zinc/91/96/88/944919688.db2.gz WQJAGMHQOGFKPA-GXFFZTMASA-N 1 0 281.352 1.612 20 10 CDCDRO CN1C[C@@H]2C[N@H+](Cc3cc(F)c(Cl)cc3[O-])C[C@@H]2C1=O ZINC001237936601 945011203 /nfs/dbraw/zinc/01/12/03/945011203.db2.gz KCCRHLPHZPGRCA-ZJUUUORDSA-N 1 0 298.745 1.705 20 10 CDCDRO NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC001278291226 945397432 /nfs/dbraw/zinc/39/74/32/945397432.db2.gz YOWKQRPZRKQMFW-BFJAYTPKSA-N 1 0 286.375 1.611 20 10 CDCDRO C[C@@H](Cc1ccncc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001256716470 948405636 /nfs/dbraw/zinc/40/56/36/948405636.db2.gz RGINGAJQGBMKRZ-MEDUHNTESA-N 1 0 288.347 1.747 20 10 CDCDRO C[C@H](Cc1ccncc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001256716463 948406276 /nfs/dbraw/zinc/40/62/76/948406276.db2.gz RGINGAJQGBMKRZ-BDJLRTHQSA-N 1 0 288.347 1.747 20 10 CDCDRO C[C@H]1CC[C@H](N2CCCc3cc(O)c(O)cc3C2)C[NH2+]1 ZINC001246875925 948498207 /nfs/dbraw/zinc/49/82/07/948498207.db2.gz JOLOFYMCYYGTKV-FZMZJTMJSA-N 1 0 276.380 1.987 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC001249178951 949442653 /nfs/dbraw/zinc/44/26/53/949442653.db2.gz WRKBCMYVJGSWPQ-ZDUSSCGKSA-N 1 0 279.336 1.064 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)c(O)c1 ZINC001249216676 949458724 /nfs/dbraw/zinc/45/87/24/949458724.db2.gz GZJFLCWQBFSOLB-ZIAGYGMSSA-N 1 0 291.347 1.471 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CN(C)Cc1ccc(N(C)C)cc1 ZINC001253191563 951790026 /nfs/dbraw/zinc/79/00/26/951790026.db2.gz AALOQLVVYVTBIK-KRWDZBQOSA-N 1 0 293.455 1.887 20 10 CDCDRO CC(C)(C)OC[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253460533 951916808 /nfs/dbraw/zinc/91/68/08/951916808.db2.gz XGHITFLOHBWTCL-CYBMUJFWSA-N 1 0 279.380 1.926 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1O ZINC001333705785 953991494 /nfs/dbraw/zinc/99/14/94/953991494.db2.gz UMWQCHBHDAQEHM-LBPRGKRZSA-N 1 0 299.392 1.376 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1COC[C@@H]1O ZINC001329375123 955858834 /nfs/dbraw/zinc/85/88/34/955858834.db2.gz JENYJBAVVXDNEL-WGBDABJCSA-N 1 0 263.337 1.598 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1COC[C@@H]1O ZINC001329375122 955859150 /nfs/dbraw/zinc/85/91/50/955859150.db2.gz JENYJBAVVXDNEL-UZWSLXQKSA-N 1 0 263.337 1.598 20 10 CDCDRO CN1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2O)C1=O ZINC001308760848 956574517 /nfs/dbraw/zinc/57/45/17/956574517.db2.gz QBYWWXOUFZFGGX-NSHDSACASA-N 1 0 268.744 1.708 20 10 CDCDRO Cn1cc(N2CC[NH+](Cc3ccc(N)cc3)CC2)cn1 ZINC001335285545 959683917 /nfs/dbraw/zinc/68/39/17/959683917.db2.gz PCONDXDKVGRIAY-UHFFFAOYSA-N 1 0 271.368 1.325 20 10 CDCDRO Nc1ccc(CCNC(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC001336906401 960727569 /nfs/dbraw/zinc/72/75/69/960727569.db2.gz MEODTMZHZGTAHL-OAHLLOKOSA-N 1 0 290.411 1.643 20 10 CDCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(N)cc1 ZINC001337070840 960914358 /nfs/dbraw/zinc/91/43/58/960914358.db2.gz XVSXOQNDURETPY-CQSZACIVSA-N 1 0 278.400 1.784 20 10 CDCDRO C[C@@H]1Cn2nc(C(=O)NCc3ccccc3O)cc2CN1 ZINC001340955566 963208914 /nfs/dbraw/zinc/20/89/14/963208914.db2.gz CHOMMVOZOGGQKD-SNVBAGLBSA-N 1 0 286.335 1.010 20 10 CDCDRO CC[C@]1(C(=O)NCc2c(O)cccc2F)CC[NH2+]C1 ZINC001342538128 963760713 /nfs/dbraw/zinc/76/07/13/963760713.db2.gz XCPMFMCOFJSUCF-AWEZNQCLSA-N 1 0 266.316 1.537 20 10 CDCDRO CC(C)[NH2+]CCC(=O)NCc1c(O)cccc1F ZINC001342537963 963760724 /nfs/dbraw/zinc/76/07/24/963760724.db2.gz UXQNFGCPPNHGLI-UHFFFAOYSA-N 1 0 254.305 1.536 20 10 CDCDRO C[C@H]1CC[N@H+](CC(=O)NCc2cccc(O)c2O)C1 ZINC001548791515 967874557 /nfs/dbraw/zinc/87/45/57/967874557.db2.gz IMRVJWBUXLXIGU-JTQLQIEISA-N 1 0 264.325 1.056 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848926789 969357394 /nfs/dbraw/zinc/35/73/94/969357394.db2.gz ZRALEEZZWPHZOF-ZDUSSCGKSA-N 1 0 286.379 1.730 20 10 CDCDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1cccc(O)c1O ZINC001575560731 1171203651 /nfs/dbraw/zinc/20/36/51/1171203651.db2.gz MQAKTJBEBFCWBK-LLVKDONJSA-N 1 0 266.341 1.478 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000065983734 348970851 /nfs/dbraw/zinc/97/08/51/348970851.db2.gz SYFNPDOKBHNHRL-CYBMUJFWSA-N 1 0 292.427 1.892 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000179660089 357218155 /nfs/dbraw/zinc/21/81/55/357218155.db2.gz GXXPEMFMXPDTBA-UHFFFAOYSA-N 1 0 266.341 1.487 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1[O-] ZINC000187567755 357779947 /nfs/dbraw/zinc/77/99/47/357779947.db2.gz UREQYHPJCYFKLL-KOLCDFICSA-N 1 0 285.727 1.154 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282379900 364088178 /nfs/dbraw/zinc/08/81/78/364088178.db2.gz OIPZBDOENLKUPB-KRWDZBQOSA-N 1 0 253.367 1.701 20 10 CDCDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872102 364106974 /nfs/dbraw/zinc/10/69/74/364106974.db2.gz VKPDAWULDYRDIF-RHSMWYFYSA-N 1 0 291.439 1.860 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000269051948 364130665 /nfs/dbraw/zinc/13/06/65/364130665.db2.gz WCEFGQOXBCVMSN-JTQLQIEISA-N 1 0 267.348 1.506 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000271122292 364934016 /nfs/dbraw/zinc/93/40/16/364934016.db2.gz YJFOVIWOBZGHRZ-JTQLQIEISA-N 1 0 295.335 1.404 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1O ZINC000272028141 365052240 /nfs/dbraw/zinc/05/22/40/365052240.db2.gz YFOJQEQJGZDGNF-HZMBPMFUSA-N 1 0 251.326 1.604 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c(O)c1C ZINC000273710894 365518959 /nfs/dbraw/zinc/51/89/59/365518959.db2.gz KOZKTRKWHUJMKM-LLVKDONJSA-N 1 0 291.351 1.211 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CC(=O)N(C)C1=O ZINC000282842882 368064552 /nfs/dbraw/zinc/06/45/52/368064552.db2.gz CSZQNDNHXMPEHF-LBPRGKRZSA-N 1 0 276.336 1.362 20 10 CDCDRO CC[C@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000363090161 369129188 /nfs/dbraw/zinc/12/91/88/369129188.db2.gz ULAHGWGNDZWANO-HNNXBMFYSA-N 1 0 278.396 1.978 20 10 CDCDRO C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCC[NH2+]C1 ZINC000295132233 371134377 /nfs/dbraw/zinc/13/43/77/371134377.db2.gz ORMLSWUTKQKVSW-OAHLLOKOSA-N 1 0 261.369 1.317 20 10 CDCDRO COc1ccc(N2CCC[N@H+](C[C@@H](C)O)CC2)cc1 ZINC000194950965 375972060 /nfs/dbraw/zinc/97/20/60/375972060.db2.gz KMLMVGDKCDSXHM-CYBMUJFWSA-N 1 0 264.369 1.588 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccccc1O ZINC000036933248 260053144 /nfs/dbraw/zinc/05/31/44/260053144.db2.gz DWJRVQMBGSEXHD-CHWSQXEVSA-N 1 0 264.369 1.764 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000272395335 413043918 /nfs/dbraw/zinc/04/39/18/413043918.db2.gz JLJZEZZRZCNSGJ-ZDUSSCGKSA-N 1 0 268.332 1.342 20 10 CDCDRO COCC[N@H+](CC(=O)N(C)C)Cc1cc(C)c(C)cc1O ZINC000119901924 390860068 /nfs/dbraw/zinc/86/00/68/390860068.db2.gz LNPMYASWZWEGCA-UHFFFAOYSA-N 1 0 294.395 1.546 20 10 CDCDRO CCNC(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000121601328 390889376 /nfs/dbraw/zinc/88/93/76/390889376.db2.gz MNVZYSZKPVDDKB-UHFFFAOYSA-N 1 0 277.368 1.548 20 10 CDCDRO CC(C)[C@@H]1C(=O)NCCN1Cc1cc2c(cc1O)OCO2 ZINC000093055442 390899323 /nfs/dbraw/zinc/89/93/23/390899323.db2.gz ABGDUERHLVBALG-CQSZACIVSA-N 1 0 292.335 1.077 20 10 CDCDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000217857737 391029792 /nfs/dbraw/zinc/02/97/92/391029792.db2.gz BTDNNMWGMDSIFK-AWEZNQCLSA-N 1 0 267.394 1.825 20 10 CDCDRO CC[N@H+](CC(=O)NCc1ccc(O)c(O)c1)C1CC1 ZINC000182533178 391236609 /nfs/dbraw/zinc/23/66/09/391236609.db2.gz JTXIKTCWMBGKOD-UHFFFAOYSA-N 1 0 264.325 1.198 20 10 CDCDRO CC[C@H](C(=O)NCc1ccc(O)c(O)c1)[NH+](CC)CC ZINC000269095675 391238834 /nfs/dbraw/zinc/23/88/34/391238834.db2.gz MRFOEUVXYSYUKF-GFCCVEGCSA-N 1 0 280.368 1.834 20 10 CDCDRO CCOCC[N@H+](CC)Cc1cc2c(cc1O)OCO2 ZINC000107668416 391773515 /nfs/dbraw/zinc/77/35/15/391773515.db2.gz AHSROGMKSOJBQJ-UHFFFAOYSA-N 1 0 267.325 1.979 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363149 260094553 /nfs/dbraw/zinc/09/45/53/260094553.db2.gz CTXLQBWRVOTPGD-ZDUSSCGKSA-N 1 0 276.380 1.432 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](CC(N)=O)C(C)C)cc1C ZINC000161666638 261256097 /nfs/dbraw/zinc/25/60/97/261256097.db2.gz HHZPHIBGOLQKPK-UHFFFAOYSA-N 1 0 250.342 1.705 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)c1ccc(C)c(O)c1O ZINC000182545956 261942673 /nfs/dbraw/zinc/94/26/73/261942673.db2.gz SKWXSGCOTIKZJL-UHFFFAOYSA-N 1 0 280.368 1.868 20 10 CDCDRO CCOCc1cc(C[NH2+][C@]2(CO)CCOC2)ccc1OC ZINC000184182832 262012090 /nfs/dbraw/zinc/01/20/90/262012090.db2.gz NECALEZHUOOXQJ-INIZCTEOSA-N 1 0 295.379 1.473 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000367704027 267111315 /nfs/dbraw/zinc/11/13/15/267111315.db2.gz ONHNPHLXBFGANZ-LLVKDONJSA-N 1 0 278.352 1.488 20 10 CDCDRO COC[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000075594752 277561297 /nfs/dbraw/zinc/56/12/97/277561297.db2.gz VWORAGPKVPBEOC-CYBMUJFWSA-N 1 0 264.369 1.852 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186811784 327854760 /nfs/dbraw/zinc/85/47/60/327854760.db2.gz FFDVKASIQJMROV-VIFPVBQESA-N 1 0 254.305 1.660 20 10 CDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000563211214 327965535 /nfs/dbraw/zinc/96/55/35/327965535.db2.gz SJSZMGQWWFXUNI-DGCLKSJQSA-N 1 0 289.379 1.476 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281122083 328238706 /nfs/dbraw/zinc/23/87/06/328238706.db2.gz CCQZLBOOHLYJSR-OLZOCXBDSA-N 1 0 276.336 1.631 20 10 CDCDRO COCC[C@H]1COCCN1Cc1cc(F)ccc1O ZINC000291326610 328263257 /nfs/dbraw/zinc/26/32/57/328263257.db2.gz UCBHCLYMRRPEEU-ZDUSSCGKSA-N 1 0 269.316 1.769 20 10 CDCDRO COCCOC[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093755235 327199919 /nfs/dbraw/zinc/19/99/19/327199919.db2.gz JJZROHSAYVRNPN-ZDUSSCGKSA-N 1 0 295.379 1.886 20 10 CDCDRO COc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000377825582 329030783 /nfs/dbraw/zinc/03/07/83/329030783.db2.gz CXPJZMQEOBZBJP-JTQLQIEISA-N 1 0 264.325 1.111 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000377888444 329033489 /nfs/dbraw/zinc/03/34/89/329033489.db2.gz JTZKFWKLKYRPCM-SNVBAGLBSA-N 1 0 264.325 1.111 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1OC ZINC000377889771 329033705 /nfs/dbraw/zinc/03/37/05/329033705.db2.gz QKDXRBBDHPLKJD-JTQLQIEISA-N 1 0 294.351 1.120 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1 ZINC000378344844 329046979 /nfs/dbraw/zinc/04/69/79/329046979.db2.gz DCRAAYPKCHLQGD-LBPRGKRZSA-N 1 0 262.309 1.337 20 10 CDCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCCCNC1=O ZINC000378491192 329052464 /nfs/dbraw/zinc/05/24/64/329052464.db2.gz FMHPPVIWAXWUOA-GFCCVEGCSA-N 1 0 266.316 1.632 20 10 CDCDRO CC(C)[C@H](C[NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000433147237 330153997 /nfs/dbraw/zinc/15/39/97/330153997.db2.gz CDJBWTWHGOYIGL-ZDUSSCGKSA-N 1 0 291.395 1.709 20 10 CDCDRO CCn1nncc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000527921282 330295836 /nfs/dbraw/zinc/29/58/36/330295836.db2.gz WEURCFPMRQTUKW-SECBINFHSA-N 1 0 264.304 1.994 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(CNC(C)=O)CC2)c1 ZINC000224467510 333221161 /nfs/dbraw/zinc/22/11/61/333221161.db2.gz NQZRNDPJCOFVLR-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO O=C(CCC[NH2+]Cc1cc(F)ccc1O)NC1CC1 ZINC000226584859 333265426 /nfs/dbraw/zinc/26/54/26/333265426.db2.gz MPWLLEMCOPSARK-UHFFFAOYSA-N 1 0 266.316 1.680 20 10 CDCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000292489689 519796225 /nfs/dbraw/zinc/79/62/25/519796225.db2.gz ODRLWWYQSSLBCY-CYBMUJFWSA-N 1 0 267.348 1.491 20 10 CDCDRO CCOCCN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000127464395 519921676 /nfs/dbraw/zinc/92/16/76/519921676.db2.gz GAFBYGGNYDKVFA-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1F ZINC000366346798 522203642 /nfs/dbraw/zinc/20/36/42/522203642.db2.gz MOQNOPBSARWWDD-AWEZNQCLSA-N 1 0 283.322 1.210 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000281004005 522686703 /nfs/dbraw/zinc/68/67/03/522686703.db2.gz NTPMXMZAVHRNPH-RISCZKNCSA-N 1 0 279.380 1.929 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C[C@H](C)O)cc1OC ZINC000130792284 522770112 /nfs/dbraw/zinc/77/01/12/522770112.db2.gz DONBZXGMKJNOEB-VIFPVBQESA-N 1 0 255.314 1.222 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1OC ZINC000279426878 522781958 /nfs/dbraw/zinc/78/19/58/522781958.db2.gz NUQHWTBVRMFIIR-MEBBXXQBSA-N 1 0 297.351 1.039 20 10 CDCDRO CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1O ZINC000289612156 522834170 /nfs/dbraw/zinc/83/41/70/522834170.db2.gz DCYNGZSAAZHRBL-CQSZACIVSA-N 1 0 290.367 1.607 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1 ZINC000280241864 524612230 /nfs/dbraw/zinc/61/22/30/524612230.db2.gz KOHNFGLNHMOOSU-NHYWBVRUSA-N 1 0 281.327 1.911 20 10 CDCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000290302372 525010368 /nfs/dbraw/zinc/01/03/68/525010368.db2.gz NPXYMCLHHZUGCZ-IUODEOHRSA-N 1 0 275.396 1.757 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1C ZINC000280388006 525323165 /nfs/dbraw/zinc/32/31/65/525323165.db2.gz WLPGFEFYWBJDRN-ZFWWWQNUSA-N 1 0 279.380 1.744 20 10 CDCDRO O=C1NC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)O1 ZINC000364895812 527081139 /nfs/dbraw/zinc/08/11/39/527081139.db2.gz WEBPZRHPHKGQKM-AWEZNQCLSA-N 1 0 280.299 1.606 20 10 CDCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCOC1 ZINC000280216190 527606819 /nfs/dbraw/zinc/60/68/19/527606819.db2.gz GAWWQDKCPOSIQQ-CABCVRRESA-N 1 0 277.364 1.356 20 10 CDCDRO CCOCC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000769785335 575384010 /nfs/dbraw/zinc/38/40/10/575384010.db2.gz AIJPVHBMQKCKLZ-RYUDHWBXSA-N 1 0 283.368 1.839 20 10 CDCDRO CCOc1ccc(C[N@@H+](CC(N)=O)CC(C)C)c(O)c1 ZINC000768533930 575131852 /nfs/dbraw/zinc/13/18/52/575131852.db2.gz VWCOQUARDZLGNC-UHFFFAOYSA-N 1 0 280.368 1.734 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C=O)CC1 ZINC000774195046 575188182 /nfs/dbraw/zinc/18/81/82/575188182.db2.gz ZVONJWXEUXCNPS-UHFFFAOYSA-N 1 0 275.396 1.771 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(OCCO)CC2)cc1F ZINC000769537552 575357868 /nfs/dbraw/zinc/35/78/68/575357868.db2.gz LZXPCJVQHAPQOH-UHFFFAOYSA-N 1 0 296.386 1.865 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C)CC1 ZINC000771924571 575637444 /nfs/dbraw/zinc/63/74/44/575637444.db2.gz OUWKPLOWUDZZEV-UHFFFAOYSA-N 1 0 250.342 1.538 20 10 CDCDRO CN1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000771924880 575637510 /nfs/dbraw/zinc/63/75/10/575637510.db2.gz RNTMTAQRBOQAJG-UHFFFAOYSA-N 1 0 289.423 1.661 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[NH+](C)C ZINC000773747722 575837338 /nfs/dbraw/zinc/83/73/38/575837338.db2.gz GGOWRNJUIQJFFP-ZJUUUORDSA-N 1 0 266.341 1.095 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000773839162 575840632 /nfs/dbraw/zinc/84/06/32/575840632.db2.gz MQNNSBRBHCVKMN-MRXNPFEDSA-N 1 0 288.395 1.699 20 10 CDCDRO C[N@H+](CCCO)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000765251883 576002149 /nfs/dbraw/zinc/00/21/49/576002149.db2.gz KJFFPPWPEMKNKU-UHFFFAOYSA-N 1 0 298.408 1.373 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C)O1 ZINC000768447269 576283847 /nfs/dbraw/zinc/28/38/47/576283847.db2.gz NXTBZXSBJWEKSM-IXPVHAAZSA-N 1 0 293.363 1.817 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000768520388 576292230 /nfs/dbraw/zinc/29/22/30/576292230.db2.gz LGFGIOLRDHAZIR-ZDUSSCGKSA-N 1 0 290.363 1.644 20 10 CDCDRO COc1cccc(O)c1C[N@H+](CCCO)C1CC1 ZINC000769405239 576352100 /nfs/dbraw/zinc/35/21/00/576352100.db2.gz QUAVOIRQKFAGRW-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000762790183 576672701 /nfs/dbraw/zinc/67/27/01/576672701.db2.gz XZZJBQCTCSUADW-DLBZAZTESA-N 1 0 291.439 1.860 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(OC)c1O ZINC000757926459 577061120 /nfs/dbraw/zinc/06/11/20/577061120.db2.gz LUDWAFUVHBCUGM-HNNXBMFYSA-N 1 0 297.351 1.459 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892043603 617437328 /nfs/dbraw/zinc/43/73/28/617437328.db2.gz DOMSKTPLNAUXSJ-ZJUUUORDSA-N 1 0 251.330 1.347 20 10 CDCDRO C[C@@H](NC(=O)NCC1([NH3+])CCC1)c1ccccc1O ZINC000892053361 617446302 /nfs/dbraw/zinc/44/63/02/617446302.db2.gz KNFWBCBQHPNNOW-SNVBAGLBSA-N 1 0 263.341 1.634 20 10 CDCDRO C[C@]1(CNC(=O)N2Cc3cccc(O)c3C2)CCC[NH2+]C1 ZINC000892057911 617452124 /nfs/dbraw/zinc/45/21/24/617452124.db2.gz RYDYHGPZBJSDFJ-INIZCTEOSA-N 1 0 289.379 1.807 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O ZINC000892281116 617684644 /nfs/dbraw/zinc/68/46/44/617684644.db2.gz OILGVKGFDOTCRY-WCFLWFBJSA-N 1 0 277.368 1.893 20 10 CDCDRO CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891947881 617815167 /nfs/dbraw/zinc/81/51/67/617815167.db2.gz MEFVPYDQRUCYRV-CQSZACIVSA-N 1 0 278.400 1.674 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000840974749 617948551 /nfs/dbraw/zinc/94/85/51/617948551.db2.gz NYNQAGALZABESW-LLVKDONJSA-N 1 0 281.375 1.894 20 10 CDCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000135720057 618072145 /nfs/dbraw/zinc/07/21/45/618072145.db2.gz BNIIWMBFZVHVMG-LLVKDONJSA-N 1 0 250.342 1.911 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)C[C@H](C)O)c(O)c1OC ZINC000893043103 618094359 /nfs/dbraw/zinc/09/43/59/618094359.db2.gz SUMQZDOCRVPOJP-QWRGUYRKSA-N 1 0 283.368 1.906 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000894281404 618448674 /nfs/dbraw/zinc/44/86/74/618448674.db2.gz SZIBKKQVVHJRHP-ZDUSSCGKSA-N 1 0 292.379 1.808 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1C ZINC000818234389 618503363 /nfs/dbraw/zinc/50/33/63/618503363.db2.gz ZDKUHLJIDMYQEX-LBPRGKRZSA-N 1 0 276.336 1.246 20 10 CDCDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1(F)F ZINC000894160072 618638849 /nfs/dbraw/zinc/63/88/49/618638849.db2.gz KGRBLKIKMFSIAW-CHWSQXEVSA-N 1 0 298.333 1.897 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC(=O)NC(C)C)c1O ZINC000894169613 618650745 /nfs/dbraw/zinc/65/07/45/618650745.db2.gz GPARYXHKIXKNAZ-UHFFFAOYSA-N 1 0 280.368 1.714 20 10 CDCDRO CC[C@H]([NH3+])CNCc1ccc(N2CCOCC2)cc1 ZINC000841070340 618681392 /nfs/dbraw/zinc/68/13/92/618681392.db2.gz PPHOVEUQFQLSHW-AWEZNQCLSA-N 1 0 263.385 1.350 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+][C@H](C)[C@@H]2C)c(O)c1 ZINC000843057006 618691227 /nfs/dbraw/zinc/69/12/27/618691227.db2.gz FBWDFFKWYPWUIZ-NEPJUHHUSA-N 1 0 264.369 1.973 20 10 CDCDRO C[C@@H]1[NH2+]CCN(Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000843057223 618691274 /nfs/dbraw/zinc/69/12/74/618691274.db2.gz GUZRMRRTWRPJAA-UWVGGRQHSA-N 1 0 264.325 1.303 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C)C2)c1O ZINC000894241891 618745854 /nfs/dbraw/zinc/74/58/54/618745854.db2.gz ODWCNIXIXVQGQA-GFCCVEGCSA-N 1 0 250.342 1.503 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CO[C@H]2CCOC2)c1O ZINC000894338719 618793503 /nfs/dbraw/zinc/79/35/03/618793503.db2.gz JNYJPQNWBGICMZ-OCCSQVGLSA-N 1 0 295.379 1.993 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000894397799 618855398 /nfs/dbraw/zinc/85/53/98/618855398.db2.gz RSOAGBDYBSPSJZ-GFCCVEGCSA-N 1 0 290.363 1.562 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1O ZINC000894453300 618894231 /nfs/dbraw/zinc/89/42/31/618894231.db2.gz OCNSUYCMGNAMMT-NSPYISDASA-N 1 0 285.409 1.908 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000894533405 618945979 /nfs/dbraw/zinc/94/59/79/618945979.db2.gz IRGIQDVGVLURSM-DOMZBBRYSA-N 1 0 263.337 1.523 20 10 CDCDRO COc1cc(C)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000894582393 618975642 /nfs/dbraw/zinc/97/56/42/618975642.db2.gz ZGANSTBLBHMDRN-OKILXGFUSA-N 1 0 276.380 1.703 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000894643675 619002873 /nfs/dbraw/zinc/00/28/73/619002873.db2.gz RYYIWVKPUVDHCM-GXTWGEPZSA-N 1 0 295.379 1.444 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894653173 619005371 /nfs/dbraw/zinc/00/53/71/619005371.db2.gz QKGALYFOOYFWBK-LBPRGKRZSA-N 1 0 269.341 1.196 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cc(C)cc(OC)c1O ZINC000894851488 619097356 /nfs/dbraw/zinc/09/73/56/619097356.db2.gz MGDPDAXQKXVSOR-UHFFFAOYSA-N 1 0 266.341 1.407 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1O ZINC000894993872 619182735 /nfs/dbraw/zinc/18/27/35/619182735.db2.gz KYCUYIOFTVGFPK-TZMCWYRMSA-N 1 0 295.379 1.586 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CCC(CO)(CO)CC2)c1O ZINC000895475226 619685825 /nfs/dbraw/zinc/68/58/25/619685825.db2.gz UMRWASVWXDCHAF-UHFFFAOYSA-N 1 0 295.379 1.276 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000895471966 619690449 /nfs/dbraw/zinc/69/04/49/619690449.db2.gz DAGXEBSDYIQCMF-UMSPYCQHSA-N 1 0 251.326 1.570 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCN2C)cc1OC ZINC000896594318 620160576 /nfs/dbraw/zinc/16/05/76/620160576.db2.gz IESKDDBSIDBLTQ-NSHDSACASA-N 1 0 266.341 1.203 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1O ZINC000897684231 621072465 /nfs/dbraw/zinc/07/24/65/621072465.db2.gz LKFJZRRRAGGMSV-QMTHXVAHSA-N 1 0 252.333 1.704 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC[C@H](O)C2CC2)cc1OC ZINC000898202956 621360022 /nfs/dbraw/zinc/36/00/22/621360022.db2.gz OPTGCPVODHNGQX-LBPRGKRZSA-N 1 0 281.352 1.660 20 10 CDCDRO COC[C@@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000902564617 624949835 /nfs/dbraw/zinc/94/98/35/624949835.db2.gz UWHWCHMTIHLERN-CYBMUJFWSA-N 1 0 288.347 1.788 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1 ZINC000841079222 626170648 /nfs/dbraw/zinc/17/06/48/626170648.db2.gz NSPULXDZTGZTKY-STQMWFEESA-N 1 0 251.349 1.542 20 10 CDCDRO [NH3+]C1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000904449189 626300106 /nfs/dbraw/zinc/30/01/06/626300106.db2.gz FZVKIGXGWLHXHT-UHFFFAOYSA-N 1 0 271.158 1.736 20 10 CDCDRO C[C@H](O)C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905703278 626931976 /nfs/dbraw/zinc/93/19/76/626931976.db2.gz HKSAPIVTIRQPIZ-SWLSCSKDSA-N 1 0 265.401 1.326 20 10 CDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(O)cc1O ZINC000910951833 629115485 /nfs/dbraw/zinc/11/54/85/629115485.db2.gz WAIDOGAVHIQWLH-GHMZBOCLSA-N 1 0 278.352 1.587 20 10 CDCDRO [NH3+]CCCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042412408 1158519432 /nfs/dbraw/zinc/51/94/32/1158519432.db2.gz LPRCNUUFSWLCHA-UHFFFAOYSA-N 1 0 273.174 1.983 20 10 CDCDRO C[C@H]([NH3+])c1ccc(NCC(=O)c2ccc(O)c(O)c2)cn1 ZINC001170320630 1162336706 /nfs/dbraw/zinc/33/67/06/1162336706.db2.gz FQUXEVQPMJUEMR-VIFPVBQESA-N 1 0 287.319 1.807 20 10 CDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c1O ZINC000808693998 1162902394 /nfs/dbraw/zinc/90/23/94/1162902394.db2.gz XHULROOXHYNYJO-PWSUYJOCSA-N 1 0 286.803 1.927 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000281109726 1159561029 /nfs/dbraw/zinc/56/10/29/1159561029.db2.gz BCWJKYXNPXUEFG-YPMHNXCESA-N 1 0 276.336 1.631 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955609 1160689033 /nfs/dbraw/zinc/68/90/33/1160689033.db2.gz HYNVIMLIVJIVJE-SWLSCSKDSA-N 1 0 290.411 1.723 20 10 CDCDRO [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@]2(C(=O)[O-])C1 ZINC001608265886 1164473146 /nfs/dbraw/zinc/47/31/46/1164473146.db2.gz CONCYDRCTOJBOZ-NVBFEUDRSA-N 1 0 294.326 1.155 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1Cl ZINC000826123031 1166404846 /nfs/dbraw/zinc/40/48/46/1166404846.db2.gz CQEHHTFZHVFDHN-YPMHNXCESA-N 1 0 285.771 1.529 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccc(O)c(O)c1)[C@H]1CCSC1 ZINC000778927676 1166798114 /nfs/dbraw/zinc/79/81/14/1166798114.db2.gz SNUJMOHQWNEVMB-NSHDSACASA-N 1 0 296.392 1.151 20 10 CDCDRO C[C@]1(C(=O)NCc2cccc(Cl)c2O)CC[NH2+]C1 ZINC001573596201 1170702331 /nfs/dbraw/zinc/70/23/31/1170702331.db2.gz GAFZPEVFKICVJL-ZDUSSCGKSA-N 1 0 268.744 1.661 20 10 CDCDRO CC(C)c1ccc(O)c(CN2CC[NH2+][C@H](CCO)C2)c1 ZINC001575858463 1171283871 /nfs/dbraw/zinc/28/38/71/1171283871.db2.gz GNFHXXIAXIBZAN-OAHLLOKOSA-N 1 0 278.396 1.672 20 10 CDCDRO COc1ccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000020534919 1171426340 /nfs/dbraw/zinc/42/63/40/1171426340.db2.gz MXLSMCSAPGOJED-INIZCTEOSA-N 1 0 289.423 1.911 20 10 CDCDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(N)cc1 ZINC001576801319 1171524331 /nfs/dbraw/zinc/52/43/31/1171524331.db2.gz RXWJKHPGWDCCKG-CYBMUJFWSA-N 1 0 277.412 1.546 20 10 CDCDRO O=C(NCc1c(O)ccc2ccccc21)[C@]1(F)CC[NH2+]C1 ZINC001580708069 1172519275 /nfs/dbraw/zinc/51/92/75/1172519275.db2.gz IUNZPUGCQQDFNE-INIZCTEOSA-N 1 0 288.322 1.863 20 10 CDCDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O ZINC000126657600 1175483016 /nfs/dbraw/zinc/48/30/16/1175483016.db2.gz UIDQBBAOVPDJJS-NXEZZACHSA-N 1 0 250.298 1.098 20 10 CDCDRO CC(C)CNC(=O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000134639476 1175820465 /nfs/dbraw/zinc/82/04/65/1175820465.db2.gz OWDWJBDHPWNUSI-UHFFFAOYSA-N 1 0 262.353 1.483 20 10 CDCDRO Cc1cc(C(=O)NC2C[NH2+]C2)c(C)n1-c1ccccn1 ZINC000237719508 1178758462 /nfs/dbraw/zinc/75/84/62/1178758462.db2.gz PEZLDVFSWHLHCN-UHFFFAOYSA-N 1 0 270.336 1.191 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779485226 828452204 /nfs/dbraw/zinc/45/22/04/828452204.db2.gz ZONZYFQNHQHECA-FNORWQNLSA-N 1 0 290.363 1.665 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c(O)c1 ZINC000848429976 822765350 /nfs/dbraw/zinc/76/53/50/822765350.db2.gz ZMUVRBUGMGGKCM-CJNGLKHVSA-N 1 0 290.363 1.407 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCC[NH3+] ZINC000841826763 822784425 /nfs/dbraw/zinc/78/44/25/822784425.db2.gz ISNGFFPCIQUFAW-UHFFFAOYSA-N 1 0 278.400 1.551 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(N)cn2)cc1 ZINC000841845636 828552310 /nfs/dbraw/zinc/55/23/10/828552310.db2.gz BWTIPFHZWCKHQY-AWEZNQCLSA-N 1 0 299.378 1.160 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000840959036 823713777 /nfs/dbraw/zinc/71/37/77/823713777.db2.gz XESKGOCLTFCUQO-NSHDSACASA-N 1 0 278.352 1.311 20 10 CDCDRO C[C@@H](NC(=O)N1CC[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882307 823731518 /nfs/dbraw/zinc/73/15/18/823731518.db2.gz INLBQLGLUMQJJR-CHWSQXEVSA-N 1 0 290.411 1.804 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)O ZINC000877568229 823755814 /nfs/dbraw/zinc/75/58/14/823755814.db2.gz HXOJFPPIRMORDN-SUMWQHHRSA-N 1 0 292.423 1.897 20 10 CDCDRO C[C@@H](CO)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000846056853 823813349 /nfs/dbraw/zinc/81/33/49/823813349.db2.gz BLSWWFDCWBVJRH-NSHDSACASA-N 1 0 293.363 1.961 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000826995117 823846854 /nfs/dbraw/zinc/84/68/54/823846854.db2.gz QSOYWVNIOOJUFI-LBPRGKRZSA-N 1 0 292.335 1.427 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000877786734 823892990 /nfs/dbraw/zinc/89/29/90/823892990.db2.gz VUMDWMSULWQXOM-UHFFFAOYSA-N 1 0 294.351 1.290 20 10 CDCDRO CC[C@@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000077452431 823909048 /nfs/dbraw/zinc/90/90/48/823909048.db2.gz HVKGGWMRPDGLBQ-HNNXBMFYSA-N 1 0 278.396 1.774 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000391571076 823910372 /nfs/dbraw/zinc/91/03/72/823910372.db2.gz UTXJEMAUPAQGCK-LLVKDONJSA-N 1 0 268.744 1.756 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000843434077 824006720 /nfs/dbraw/zinc/00/67/20/824006720.db2.gz HILLEPDRPNYLKJ-ZYHUDNBSSA-N 1 0 299.754 1.401 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000211633477 824035367 /nfs/dbraw/zinc/03/53/67/824035367.db2.gz NXXKHUUMBDDFPZ-GFCCVEGCSA-N 1 0 276.336 1.207 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000877303021 824058925 /nfs/dbraw/zinc/05/89/25/824058925.db2.gz BLXPPJADXATSNO-LBPRGKRZSA-N 1 0 283.393 1.758 20 10 CDCDRO NC(=O)C1([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000191482844 824077215 /nfs/dbraw/zinc/07/72/15/824077215.db2.gz RSVGDFLPBYRWLR-UHFFFAOYSA-N 1 0 273.380 1.784 20 10 CDCDRO O[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877700677 824099032 /nfs/dbraw/zinc/09/90/32/824099032.db2.gz SSOWZRXOPQHVLA-IRXDYDNUSA-N 1 0 290.407 1.651 20 10 CDCDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccccc1O ZINC000927083101 824133639 /nfs/dbraw/zinc/13/36/39/824133639.db2.gz DRYVCYSETSYAMK-VXGBXAGGSA-N 1 0 251.326 1.848 20 10 CDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]CCc1ccc(N)cc1 ZINC000817958247 824149758 /nfs/dbraw/zinc/14/97/58/824149758.db2.gz UVWWUYAWMSYKMN-DOMZBBRYSA-N 1 0 263.385 1.168 20 10 CDCDRO Cc1nc(CN2CCCc3cc(C[NH3+])ccc32)no1 ZINC000700946478 824169674 /nfs/dbraw/zinc/16/96/74/824169674.db2.gz IIWVKPDZFIQUMD-UHFFFAOYSA-N 1 0 258.325 1.790 20 10 CDCDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000858766595 824212817 /nfs/dbraw/zinc/21/28/17/824212817.db2.gz PIQGRTZGWRVPAC-CYBMUJFWSA-N 1 0 291.395 1.923 20 10 CDCDRO Cc1cccc(C[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000779432583 824237475 /nfs/dbraw/zinc/23/74/75/824237475.db2.gz WASXVKJPEHQBTR-UHFFFAOYSA-N 1 0 272.352 1.846 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CN(C)CCO1 ZINC000783518220 824240106 /nfs/dbraw/zinc/24/01/06/824240106.db2.gz KBIQTDFWIBNHSG-ZOWXZIJZSA-N 1 0 264.369 1.762 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000082698426 824252370 /nfs/dbraw/zinc/25/23/70/824252370.db2.gz BKYUXXNNYGXWCD-OAHLLOKOSA-N 1 0 259.353 1.023 20 10 CDCDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000135719543 824325532 /nfs/dbraw/zinc/32/55/32/824325532.db2.gz GBSAZEPEPGHATL-LLVKDONJSA-N 1 0 250.342 1.815 20 10 CDCDRO COc1ccc(CNC(=O)NC[C@H](C)[NH+](C)C)c(O)c1 ZINC000836622403 824393550 /nfs/dbraw/zinc/39/35/50/824393550.db2.gz ASUURAOJKGTRBH-JTQLQIEISA-N 1 0 281.356 1.150 20 10 CDCDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1O)C1CC1 ZINC000790562976 824404926 /nfs/dbraw/zinc/40/49/26/824404926.db2.gz RVRULNGLWCRTQK-NSHDSACASA-N 1 0 264.325 1.168 20 10 CDCDRO Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)c(O)c1O ZINC000182439666 824455710 /nfs/dbraw/zinc/45/57/10/824455710.db2.gz JEQYHZKDLVFIQD-UHFFFAOYSA-N 1 0 266.341 1.476 20 10 CDCDRO CC(C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122339 824573194 /nfs/dbraw/zinc/57/31/94/824573194.db2.gz OFPMGTQTQOZHFO-UHFFFAOYSA-N 1 0 278.396 1.508 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)ccc1N(C)C ZINC000839665049 824575694 /nfs/dbraw/zinc/57/56/94/824575694.db2.gz GLJSIWJQFKWVFX-ZBFHGGJFSA-N 1 0 278.396 1.236 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000842514266 824585724 /nfs/dbraw/zinc/58/57/24/824585724.db2.gz VUDYCNBMNWPLKR-HNNXBMFYSA-N 1 0 259.353 1.166 20 10 CDCDRO CN(C)c1ccc(CN2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000783715971 824616445 /nfs/dbraw/zinc/61/64/45/824616445.db2.gz ZYVFBIIIHCQXKX-UHFFFAOYSA-N 1 0 291.439 1.641 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(O)c1 ZINC000876528595 824701305 /nfs/dbraw/zinc/70/13/05/824701305.db2.gz ZQXWMTVPWIRFOW-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109773015 824707991 /nfs/dbraw/zinc/70/79/91/824707991.db2.gz WJRQWLBEOOCRRC-LLVKDONJSA-N 1 0 250.342 1.739 20 10 CDCDRO CCCS(=O)(=O)CCN1CCCc2cc(C[NH3+])ccc21 ZINC000226421092 824712544 /nfs/dbraw/zinc/71/25/44/824712544.db2.gz QKYSNYFUMRAYGA-UHFFFAOYSA-N 1 0 296.436 1.723 20 10 CDCDRO O=C1C[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CN1 ZINC000922185161 824837861 /nfs/dbraw/zinc/83/78/61/824837861.db2.gz ZICYFFBJUVXORP-GFCCVEGCSA-N 1 0 260.337 1.237 20 10 CDCDRO COCC1([NH2+]Cc2cccc(OC)c2O)CCOCC1 ZINC000814302252 824931411 /nfs/dbraw/zinc/93/14/11/824931411.db2.gz QQFSHXZEPLAIFY-UHFFFAOYSA-N 1 0 281.352 1.686 20 10 CDCDRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004331 824974228 /nfs/dbraw/zinc/97/42/28/824974228.db2.gz FNXUSCQMJOMQML-CYBMUJFWSA-N 1 0 297.349 1.886 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CCn2cccn2)cc1 ZINC000844399445 825036586 /nfs/dbraw/zinc/03/65/86/825036586.db2.gz JQMUGGSOOMHMKR-UHFFFAOYSA-N 1 0 288.395 1.960 20 10 CDCDRO C[NH2+][C@H](C)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272419 825043798 /nfs/dbraw/zinc/04/37/98/825043798.db2.gz UKYVFZHENZZAAW-LLVKDONJSA-N 1 0 259.357 1.673 20 10 CDCDRO C[C@H](CO)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809745924 825125883 /nfs/dbraw/zinc/12/58/83/825125883.db2.gz NPFJLAQZLHJIAJ-GFCCVEGCSA-N 1 0 282.359 1.475 20 10 CDCDRO C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1O ZINC000827940862 825188130 /nfs/dbraw/zinc/18/81/30/825188130.db2.gz JONBRGDHIGUIFB-QWHCGFSZSA-N 1 0 292.379 1.538 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000776217820 825192506 /nfs/dbraw/zinc/19/25/06/825192506.db2.gz BCXGZOLWTVRRAV-LLVKDONJSA-N 1 0 269.341 1.542 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(O)c1 ZINC000777222052 825290692 /nfs/dbraw/zinc/29/06/92/825290692.db2.gz PWWCUKOWFLSGSX-ZDUSSCGKSA-N 1 0 288.351 1.829 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCCN2CCCO)c1O ZINC000824559232 825393187 /nfs/dbraw/zinc/39/31/87/825393187.db2.gz LLAGKBGLFDIPKG-CQSZACIVSA-N 1 0 294.395 1.337 20 10 CDCDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(F)ccc1O ZINC000809768646 825408104 /nfs/dbraw/zinc/40/81/04/825408104.db2.gz RPDMGOXESLOVBR-ZDUSSCGKSA-N 1 0 271.332 1.749 20 10 CDCDRO CON(C)C(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000808748237 825433943 /nfs/dbraw/zinc/43/39/43/825433943.db2.gz KSSHAELXKLVMCC-LBPRGKRZSA-N 1 0 279.384 1.813 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706723699 825537857 /nfs/dbraw/zinc/53/78/57/825537857.db2.gz BGHAQCSCIUEYAI-ZYHUDNBSSA-N 1 0 257.717 1.285 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000776774680 825569344 /nfs/dbraw/zinc/56/93/44/825569344.db2.gz FFMBYDXWLDCUGU-ZDUSSCGKSA-N 1 0 288.351 1.748 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@]1(C)CO ZINC000827700424 828805087 /nfs/dbraw/zinc/80/50/87/828805087.db2.gz SQDMLJFXLHUSQX-BONVTDFDSA-N 1 0 279.336 1.571 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000927144359 828808656 /nfs/dbraw/zinc/80/86/56/828808656.db2.gz KMZMCAVYXPGONC-GMTAPVOTSA-N 1 0 251.326 1.822 20 10 CDCDRO CN(C)C1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000397875154 825675446 /nfs/dbraw/zinc/67/54/46/825675446.db2.gz LNLLNYZZIOQOFE-UHFFFAOYSA-N 1 0 289.423 1.707 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000841720273 828811507 /nfs/dbraw/zinc/81/15/07/828811507.db2.gz UCSGADXNOOHUBS-AWEZNQCLSA-N 1 0 290.411 1.775 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000843056796 825753317 /nfs/dbraw/zinc/75/33/17/825753317.db2.gz AFCRYVZFFSENJO-BXKDBHETSA-N 1 0 254.305 1.079 20 10 CDCDRO CC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748966 825780986 /nfs/dbraw/zinc/78/09/86/825780986.db2.gz UBMGSBVINUZHNE-DOMZBBRYSA-N 1 0 291.395 1.375 20 10 CDCDRO C[N@H+](C[C@H](O)CNCc1ccc2c(c1)CCO2)C1CC1 ZINC000818996264 825801619 /nfs/dbraw/zinc/80/16/19/825801619.db2.gz CYDYSZIWQJVRIH-OAHLLOKOSA-N 1 0 276.380 1.166 20 10 CDCDRO CC(=O)c1cc(F)cc(Cn2cc([C@@H](C)[NH3+])nn2)c1O ZINC000880995957 825864757 /nfs/dbraw/zinc/86/47/57/825864757.db2.gz JUOSHAGHFZVSAR-SSDOTTSWSA-N 1 0 278.287 1.393 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)CC(C)(CO)CO ZINC000876748240 825924627 /nfs/dbraw/zinc/92/46/27/825924627.db2.gz ZEZYUDWWDOQSII-UHFFFAOYSA-N 1 0 253.342 1.123 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000775396957 825901146 /nfs/dbraw/zinc/90/11/46/825901146.db2.gz YZCJGNYTJJBBAG-CYBMUJFWSA-N 1 0 298.452 1.974 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000877072967 826019741 /nfs/dbraw/zinc/01/97/41/826019741.db2.gz ZMKAYEBSKJMXIZ-AWEZNQCLSA-N 1 0 261.325 1.257 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(O)c1O ZINC000780907793 826043221 /nfs/dbraw/zinc/04/32/21/826043221.db2.gz XCRBJGLHPFPDPF-SNVBAGLBSA-N 1 0 276.336 1.373 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000844400454 826093153 /nfs/dbraw/zinc/09/31/53/826093153.db2.gz BZTHMGNUIPOKEY-HNNXBMFYSA-N 1 0 291.395 1.294 20 10 CDCDRO CCN(CC[NH3+])C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000877006884 826102489 /nfs/dbraw/zinc/10/24/89/826102489.db2.gz VDKVXSWVKJMUGR-UHFFFAOYSA-N 1 0 286.379 1.910 20 10 CDCDRO CC(C)(O)C[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000129989016 826153958 /nfs/dbraw/zinc/15/39/58/826153958.db2.gz KBFWSPGQSTVURL-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000856073373 826204342 /nfs/dbraw/zinc/20/43/42/826204342.db2.gz OIBNBQIDUKOTRI-SECBINFHSA-N 1 0 254.355 1.668 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2cc(OC)ccc2O)CCOC1 ZINC000775201063 826338720 /nfs/dbraw/zinc/33/87/20/826338720.db2.gz BMUVKZBGJXJSSJ-OAHLLOKOSA-N 1 0 281.352 1.686 20 10 CDCDRO C[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843048144 826344229 /nfs/dbraw/zinc/34/42/29/826344229.db2.gz PMCYEFJMKRXAJY-AWEZNQCLSA-N 1 0 275.396 1.317 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1ccccc1O ZINC000879647430 826347021 /nfs/dbraw/zinc/34/70/21/826347021.db2.gz CBDIZOSZZAIRNA-SNVBAGLBSA-N 1 0 293.367 1.667 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)C2 ZINC000848563894 826362668 /nfs/dbraw/zinc/36/26/68/826362668.db2.gz YQSYFAFCKARMIU-NWDGAFQWSA-N 1 0 284.363 1.655 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C2(CO)CC2)c1O ZINC000796501892 826408561 /nfs/dbraw/zinc/40/85/61/826408561.db2.gz FPQPKLTWXKCGOK-UHFFFAOYSA-N 1 0 267.300 1.691 20 10 CDCDRO CN(C)c1ccc(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000381306119 826413083 /nfs/dbraw/zinc/41/30/83/826413083.db2.gz OITSLYAJKJYMNF-AYIQCDPPSA-N 1 0 271.408 1.839 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1F ZINC000840974692 826434738 /nfs/dbraw/zinc/43/47/38/826434738.db2.gz FGFGZZGJFWSMFH-IUODEOHRSA-N 1 0 282.359 1.067 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Cl)ccc1O ZINC000817944786 826447681 /nfs/dbraw/zinc/44/76/81/826447681.db2.gz MDXZRIIYAYFDBB-LLVKDONJSA-N 1 0 283.803 1.601 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000829764748 826455163 /nfs/dbraw/zinc/45/51/63/826455163.db2.gz WGKVJJBIMHMODO-RDJZCZTQSA-N 1 0 287.407 1.677 20 10 CDCDRO C[S@](=O)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000116918449 826510605 /nfs/dbraw/zinc/51/06/05/826510605.db2.gz PZBCLGQMWBDRSL-MRXNPFEDSA-N 1 0 261.774 1.904 20 10 CDCDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC000817860499 826636203 /nfs/dbraw/zinc/63/62/03/826636203.db2.gz OERYIJOIDWVPEF-DYEKYZERSA-N 1 0 275.396 1.643 20 10 CDCDRO CC[C@H]([NH2+]CCNCCOC)c1ccc(C)cc1O ZINC000817965097 826768862 /nfs/dbraw/zinc/76/88/62/826768862.db2.gz PLWJAWBTMHQOFW-AWEZNQCLSA-N 1 0 266.385 1.977 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000779192949 826800944 /nfs/dbraw/zinc/80/09/44/826800944.db2.gz RHBGJSIWQLBMLN-GFCCVEGCSA-N 1 0 261.300 1.832 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CC[C@H](C)O)c1O ZINC000228674645 826814862 /nfs/dbraw/zinc/81/48/62/826814862.db2.gz WDCIHWVGVKEEIC-QMMMGPOBSA-N 1 0 259.733 1.915 20 10 CDCDRO CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000312032287 826823921 /nfs/dbraw/zinc/82/39/21/826823921.db2.gz YDKKRKYJEHZNGF-IUODEOHRSA-N 1 0 266.385 1.801 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1O ZINC000848916380 826827269 /nfs/dbraw/zinc/82/72/69/826827269.db2.gz GUZPAJQWEMESNA-GJZGRUSLSA-N 1 0 279.380 1.832 20 10 CDCDRO C[N@H+](CCN1CCCC1=O)Cc1cc(F)ccc1O ZINC000779021280 826846321 /nfs/dbraw/zinc/84/63/21/826846321.db2.gz ZDWIGKNPNUTMAL-UHFFFAOYSA-N 1 0 266.316 1.586 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c(O)c1 ZINC000876624458 826885385 /nfs/dbraw/zinc/88/53/85/826885385.db2.gz FKQGDYBTHPJECJ-AWEZNQCLSA-N 1 0 289.379 1.690 20 10 CDCDRO CC(C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000096480993 826888824 /nfs/dbraw/zinc/88/88/24/826888824.db2.gz ONBKHGWEDVZZAW-UHFFFAOYSA-N 1 0 264.369 1.384 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922938244 827036511 /nfs/dbraw/zinc/03/65/11/827036511.db2.gz BPIZQQZLPLVQMF-LLVKDONJSA-N 1 0 267.325 1.296 20 10 CDCDRO OC[C@@H](CC(F)F)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000717745422 827039091 /nfs/dbraw/zinc/03/90/91/827039091.db2.gz QIVPMWGGUWRPDN-LLVKDONJSA-N 1 0 257.280 1.727 20 10 CDCDRO COc1cccc(CNC[C@H]2CCCC[NH2+]2)c1O ZINC000841033407 827039819 /nfs/dbraw/zinc/03/98/19/827039819.db2.gz UCRAAWHHLDTOKA-GFCCVEGCSA-N 1 0 250.342 1.633 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000856073274 827072445 /nfs/dbraw/zinc/07/24/45/827072445.db2.gz MSRMOGKMQSAQTB-RYWCDNDXSA-N 1 0 290.363 1.712 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841651777 827351544 /nfs/dbraw/zinc/35/15/44/827351544.db2.gz AUPWFCQLQDGDQA-LLVKDONJSA-N 1 0 264.373 1.147 20 10 CDCDRO COc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)c(O)c1 ZINC000794387950 827494757 /nfs/dbraw/zinc/49/47/57/827494757.db2.gz PRUTXEFQRHFXGW-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000775734440 827510653 /nfs/dbraw/zinc/51/06/53/827510653.db2.gz PPEPNFBVOMHKQD-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@H]1[NH2+]CCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000843056922 827610622 /nfs/dbraw/zinc/61/06/22/827610622.db2.gz CHDJOYQACWLBBM-CABCVRRESA-N 1 0 289.423 1.705 20 10 CDCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000839131475 827693344 /nfs/dbraw/zinc/69/33/44/827693344.db2.gz LISQIMRRIIRFCG-PHIMTYICSA-N 1 0 275.304 1.817 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000862210345 827712031 /nfs/dbraw/zinc/71/20/31/827712031.db2.gz IMMSAEXOINTDRH-SNVBAGLBSA-N 1 0 297.349 1.728 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CCCC[NH3+])c1 ZINC000828667872 827735987 /nfs/dbraw/zinc/73/59/87/827735987.db2.gz VJBFFXYTGHFAJR-SNVBAGLBSA-N 1 0 266.341 1.707 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000876582150 827798443 /nfs/dbraw/zinc/79/84/43/827798443.db2.gz ULHGPXRPIBFQLZ-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846144569 827802123 /nfs/dbraw/zinc/80/21/23/827802123.db2.gz LFWXUMYHDOSYFD-GHMZBOCLSA-N 1 0 269.341 1.449 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000824887093 827872738 /nfs/dbraw/zinc/87/27/38/827872738.db2.gz PSTRRQALPBOHBY-GFCCVEGCSA-N 1 0 279.359 1.602 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C3([NH+](C)C)CC3)ccc21 ZINC000824676958 827876783 /nfs/dbraw/zinc/87/67/83/827876783.db2.gz YCPAIWSXLVHVHK-UHFFFAOYSA-N 1 0 287.407 1.779 20 10 CDCDRO OC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877044855 827941470 /nfs/dbraw/zinc/94/14/70/827941470.db2.gz JJVNTKUPQKJANJ-KRWDZBQOSA-N 1 0 290.407 1.508 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1F ZINC000872267413 827961281 /nfs/dbraw/zinc/96/12/81/827961281.db2.gz YKMVTEHGWHFCFR-BETUJISGSA-N 1 0 264.344 1.970 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCC(=O)N(C)C ZINC000876982340 828000790 /nfs/dbraw/zinc/00/07/90/828000790.db2.gz YSAGCEXDYHAHLB-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO C[C@H]1COCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000398948055 828046134 /nfs/dbraw/zinc/04/61/34/828046134.db2.gz QMEIWCQKASNFDZ-JTQLQIEISA-N 1 0 265.309 1.732 20 10 CDCDRO COc1ccc(N2CC[NH+](CC(C)(C)O)CC2)c(OC)c1 ZINC000879462026 828093130 /nfs/dbraw/zinc/09/31/30/828093130.db2.gz LKCLVUKAWIPQCP-UHFFFAOYSA-N 1 0 294.395 1.597 20 10 CDCDRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccccc1O ZINC000721875413 828155985 /nfs/dbraw/zinc/15/59/85/828155985.db2.gz VRQCVAIAOVMOJH-LBPRGKRZSA-N 1 0 298.408 1.468 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000228935066 828320575 /nfs/dbraw/zinc/32/05/75/828320575.db2.gz PLLKTTWNOPOGLO-SECBINFHSA-N 1 0 280.324 1.124 20 10 CDCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001206221727 912995856 /nfs/dbraw/zinc/99/58/56/912995856.db2.gz ISVCFBMMTOPIMA-NSHDSACASA-N 1 0 276.258 1.563 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC001346737991 895098815 /nfs/dbraw/zinc/09/88/15/895098815.db2.gz CRVHZSLVSGRDQZ-UHFFFAOYSA-N 1 0 276.384 1.539 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1O ZINC001140178582 895201992 /nfs/dbraw/zinc/20/19/92/895201992.db2.gz PJPHHLPORLHUOQ-OAHLLOKOSA-N 1 0 290.407 1.916 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000699842001 914345282 /nfs/dbraw/zinc/34/52/82/914345282.db2.gz XLDVHUQBNZLYCR-CMPLNLGQSA-N 1 0 251.326 1.915 20 10 CDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1c(O)ccc(F)c1F)C2 ZINC001235993287 914505707 /nfs/dbraw/zinc/50/57/07/914505707.db2.gz QZDCUKXSUKQABD-ISVAXAHUSA-N 1 0 254.280 1.594 20 10 CDCDRO CCOC(=O)c1c(C[N@H+](C)CCO)c2ccccc2n1C ZINC001236255266 914820591 /nfs/dbraw/zinc/82/05/91/914820591.db2.gz BUNGEUCLWUOIMF-UHFFFAOYSA-N 1 0 290.363 1.779 20 10 CDCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000689524409 907735464 /nfs/dbraw/zinc/73/54/64/907735464.db2.gz DWKYDXCPOMZSCY-SNVBAGLBSA-N 1 0 282.340 1.750 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172027177 911136792 /nfs/dbraw/zinc/13/67/92/911136792.db2.gz VIDRWLAEBWLMDK-AWEZNQCLSA-N 1 0 274.364 1.977 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001231591277 911786640 /nfs/dbraw/zinc/78/66/40/911786640.db2.gz YYEPAQRVORYOMI-DGCLKSJQSA-N 1 0 253.317 1.853 20 10 CDCDRO COc1cc(CN2CC[C@@H]([NH3+])[C@H](F)CC2)cc(O)c1O ZINC001206167338 911790527 /nfs/dbraw/zinc/79/05/27/911790527.db2.gz YKPSKATYCXDNGM-GHMZBOCLSA-N 1 0 284.331 1.368 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cc(O)c(O)c(O)c2)CC[C@@H]1F ZINC001206185177 912127378 /nfs/dbraw/zinc/12/73/78/912127378.db2.gz LIFIPTVDHPICOX-UWVGGRQHSA-N 1 0 270.304 1.065 20 10 CDCDRO CCOCC[NH+](CCOCC)Cc1ccc(O)cc1O ZINC001204278590 916582073 /nfs/dbraw/zinc/58/20/73/916582073.db2.gz GCPKPMGIKKABGN-UHFFFAOYSA-N 1 0 283.368 1.973 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001238064075 917787859 /nfs/dbraw/zinc/78/78/59/917787859.db2.gz NWCYHHPSZAEASZ-WCQYABFASA-N 1 0 269.316 1.015 20 10 CDCDRO COc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc(O)c1O ZINC001204346496 917966769 /nfs/dbraw/zinc/96/67/69/917966769.db2.gz SKBQIBKRYPDQDR-INIZCTEOSA-N 1 0 292.379 1.634 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccnnc1 ZINC001139982843 936665294 /nfs/dbraw/zinc/66/52/94/936665294.db2.gz DFGKWMMQKQNJLR-UHFFFAOYSA-N 1 0 298.390 1.945 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN3CC(O)C3)cc2)CC1 ZINC001140299798 936699318 /nfs/dbraw/zinc/69/93/18/936699318.db2.gz GDAAMQDLVQBYAZ-UHFFFAOYSA-N 1 0 275.396 1.005 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN(C)C3COC3)cc2)CC1 ZINC001140304444 936699606 /nfs/dbraw/zinc/69/96/06/936699606.db2.gz PWPUQUALPZYSTD-UHFFFAOYSA-N 1 0 289.423 1.659 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1O ZINC001140743993 936748542 /nfs/dbraw/zinc/74/85/42/936748542.db2.gz HMEQMMAJAHGLPJ-CYBMUJFWSA-N 1 0 293.363 1.522 20 10 CDCDRO Cc1c(O)ccc(CN2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC001140745607 936749044 /nfs/dbraw/zinc/74/90/44/936749044.db2.gz MNGJXJZUZLAQCZ-LLVKDONJSA-N 1 0 285.365 1.025 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)CO)c(O)c1 ZINC001140853450 936764763 /nfs/dbraw/zinc/76/47/63/936764763.db2.gz YDVAPJNEAYQZCS-CQSZACIVSA-N 1 0 282.384 1.023 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001140952338 936783643 /nfs/dbraw/zinc/78/36/43/936783643.db2.gz NSZGAKIJOFOCNG-MRXNPFEDSA-N 1 0 274.364 1.803 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145136 936820244 /nfs/dbraw/zinc/82/02/44/936820244.db2.gz QPYZSSOHDJXAFK-CQSZACIVSA-N 1 0 289.379 1.226 20 10 CDCDRO O=C1CCCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)N1 ZINC001141159948 936822263 /nfs/dbraw/zinc/82/22/63/936822263.db2.gz OJMBYQDKBCFNRI-UHFFFAOYSA-N 1 0 290.363 1.733 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141161800 936822972 /nfs/dbraw/zinc/82/29/72/936822972.db2.gz YPPWHYRKXGAIOV-NSHDSACASA-N 1 0 265.309 1.625 20 10 CDCDRO O=C1CC[N@@H+](Cc2cc(O)ccc2O)C[C@H]2CCCN12 ZINC001141162916 936823518 /nfs/dbraw/zinc/82/35/18/936823518.db2.gz KKKIGMQDXJWLLE-GFCCVEGCSA-N 1 0 276.336 1.295 20 10 CDCDRO COc1cc(C(=O)NCC(C)(C)C[NH+](C)C)cc(O)c1O ZINC001193114141 923461340 /nfs/dbraw/zinc/46/13/40/923461340.db2.gz MRXBFTLFMYCEEJ-UHFFFAOYSA-N 1 0 296.367 1.424 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(F)ccc2O)CCC1(F)F ZINC001205770767 924880632 /nfs/dbraw/zinc/88/06/32/924880632.db2.gz NYFXDXAUXRUWQE-JTQLQIEISA-N 1 0 274.286 1.947 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203880264 925168499 /nfs/dbraw/zinc/16/84/99/925168499.db2.gz NCDPNYUKXASIFZ-XQQFMLRXSA-N 1 0 291.347 1.871 20 10 CDCDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC001119649358 925459526 /nfs/dbraw/zinc/45/95/26/925459526.db2.gz XIRBXMZOWHYEFO-AWEZNQCLSA-N 1 0 292.379 1.979 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccccc1O ZINC000827758569 925960236 /nfs/dbraw/zinc/96/02/36/925960236.db2.gz SFYLJQLJKLLBOR-LBPRGKRZSA-N 1 0 262.353 1.881 20 10 CDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(O)cc2O)CC[N@@H+]1C ZINC000828108519 926044092 /nfs/dbraw/zinc/04/40/92/926044092.db2.gz WSLUXKVYYGSDBK-BXKDBHETSA-N 1 0 264.325 1.054 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)ncn2)c1 ZINC000776252902 926482592 /nfs/dbraw/zinc/48/25/92/926482592.db2.gz GJDQNLGYLUCKNP-UHFFFAOYSA-N 1 0 259.309 1.789 20 10 CDCDRO CCCC[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001252112520 926683849 /nfs/dbraw/zinc/68/38/49/926683849.db2.gz POAPECCYWNXRSO-LLVKDONJSA-N 1 0 269.341 1.487 20 10 CDCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC001169449240 928041659 /nfs/dbraw/zinc/04/16/59/928041659.db2.gz QEKMZJVTTDXIOG-LLVKDONJSA-N 1 0 280.368 1.834 20 10 CDCDRO CN(C)C(=O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691428096 928410855 /nfs/dbraw/zinc/41/08/55/928410855.db2.gz JKJORBCERYUIEN-UHFFFAOYSA-N 1 0 287.157 1.333 20 10 CDCDRO Oc1ccc(CC[NH2+][C@@H]2CCCC3(C2)OCCO3)cc1O ZINC001169910383 928512759 /nfs/dbraw/zinc/51/27/59/928512759.db2.gz SPLLAJJCARMSLV-CYBMUJFWSA-N 1 0 293.363 1.916 20 10 CDCDRO Oc1ccc(CNc2ccc3c([nH+]2)NCCO3)cc1O ZINC001169997296 928914227 /nfs/dbraw/zinc/91/42/27/928914227.db2.gz YIVOQAMFOAPZIX-UHFFFAOYSA-N 1 0 273.292 1.909 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CNc1cccc(O)c1O ZINC001253195332 929937007 /nfs/dbraw/zinc/93/70/07/929937007.db2.gz QQMPHPNDUSTMFB-JTQLQIEISA-N 1 0 254.330 1.212 20 10 CDCDRO OCCC[N@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001116443811 937449187 /nfs/dbraw/zinc/44/91/87/937449187.db2.gz IIMZLROJRIEXEV-UHFFFAOYSA-N 1 0 278.396 1.464 20 10 CDCDRO C[NH+](C)CC1(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000821070920 931004022 /nfs/dbraw/zinc/00/40/22/931004022.db2.gz QKXWDJRJKGXEQI-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@H]1O ZINC001144500079 931858257 /nfs/dbraw/zinc/85/82/57/931858257.db2.gz OMWOFWDPKXMBNY-BXKDBHETSA-N 1 0 267.325 1.396 20 10 CDCDRO C[C@]1(O)CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500393 931859681 /nfs/dbraw/zinc/85/96/81/931859681.db2.gz SWIPUGZUIFUICP-AWEZNQCLSA-N 1 0 267.325 1.540 20 10 CDCDRO CC(C)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500624 931860225 /nfs/dbraw/zinc/86/02/25/931860225.db2.gz WXLOCUBNMWHMFT-UHFFFAOYSA-N 1 0 266.341 1.329 20 10 CDCDRO COc1cccc(CN[C@H](C)c2noc(C)n2)c1O ZINC001117646277 937539649 /nfs/dbraw/zinc/53/96/49/937539649.db2.gz XEGPHACYONJAKF-MRVPVSSYSA-N 1 0 263.297 1.943 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC12CC2 ZINC001144520358 931871248 /nfs/dbraw/zinc/87/12/48/931871248.db2.gz MOKPFORJDVHEIR-LLVKDONJSA-N 1 0 293.319 1.188 20 10 CDCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@H]1CCCOC1 ZINC001144520171 931871457 /nfs/dbraw/zinc/87/14/57/931871457.db2.gz ISIWBTOFHQGEBS-VIFPVBQESA-N 1 0 253.298 1.414 20 10 CDCDRO CC1(C)COCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509567 931875635 /nfs/dbraw/zinc/87/56/35/931875635.db2.gz ZPSLAQZDGKBRTQ-UHFFFAOYSA-N 1 0 253.298 1.414 20 10 CDCDRO CC1(C)C[N@H+](Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144514750 931878170 /nfs/dbraw/zinc/87/81/70/931878170.db2.gz QXCBSDYTGRGKHZ-UHFFFAOYSA-N 1 0 265.309 1.604 20 10 CDCDRO O=C(C[C@@H]1CCC[NH2+]C1)N1CCc2cccc(O)c2C1 ZINC001160872297 932207847 /nfs/dbraw/zinc/20/78/47/932207847.db2.gz IJKUJSYXVCYXHN-LBPRGKRZSA-N 1 0 274.364 1.667 20 10 CDCDRO CN(C)c1cc[nH+]cc1NC(=O)c1cccc(O)c1O ZINC001148212481 932667888 /nfs/dbraw/zinc/66/78/88/932667888.db2.gz AHQMCTNHXNMORY-UHFFFAOYSA-N 1 0 273.292 1.811 20 10 CDCDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(O)c(O)c(O)c1 ZINC001148589585 932753623 /nfs/dbraw/zinc/75/36/23/932753623.db2.gz CRDFXRGRFXPXRP-UHFFFAOYSA-N 1 0 282.340 1.121 20 10 CDCDRO OCC[NH2+]C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000686279359 934027945 /nfs/dbraw/zinc/02/79/45/934027945.db2.gz LKCZXQJNQSEVQQ-UHFFFAOYSA-N 1 0 268.332 1.078 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC001120677330 937824897 /nfs/dbraw/zinc/82/48/97/937824897.db2.gz NRKOXJHIJNJAIZ-ZWNOBZJWSA-N 1 0 262.357 1.148 20 10 CDCDRO C[C@@H](CC(=O)NCc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001122538736 937940342 /nfs/dbraw/zinc/94/03/42/937940342.db2.gz HIJYAXJECZNUKM-LBPRGKRZSA-N 1 0 275.396 1.911 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3ccccc3O)C2)C1 ZINC001203555640 939692629 /nfs/dbraw/zinc/69/26/29/939692629.db2.gz FYRDMKKZRHIAOO-UHFFFAOYSA-N 1 0 260.337 1.446 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC001203621555 939697450 /nfs/dbraw/zinc/69/74/50/939697450.db2.gz XCXZSBIKHQKWMC-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO CC[N@H+](Cc1ccc(OC)cc1O)C1CN(C)C1 ZINC001203634539 939698741 /nfs/dbraw/zinc/69/87/41/939698741.db2.gz KWQYFZFGIUIKHY-UHFFFAOYSA-N 1 0 250.342 1.537 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1 ZINC001203671242 939700623 /nfs/dbraw/zinc/70/06/23/939700623.db2.gz LOXMWVIJUZWIGV-HNNXBMFYSA-N 1 0 276.336 1.113 20 10 CDCDRO C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)[C@@H]1CO ZINC001204276733 939751769 /nfs/dbraw/zinc/75/17/69/939751769.db2.gz PROCRQDLNUJGGL-ZWNOBZJWSA-N 1 0 251.326 1.691 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001204281524 939752241 /nfs/dbraw/zinc/75/22/41/939752241.db2.gz UEQPGTRSPJGUBT-NSHDSACASA-N 1 0 284.306 1.623 20 10 CDCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)CC[C@H]21 ZINC001204281438 939752342 /nfs/dbraw/zinc/75/23/42/939752342.db2.gz FEUIHFHSYJEBHI-SMDDNHRTSA-N 1 0 290.363 1.541 20 10 CDCDRO COc1cc(CN(C)CC[NH+]2CCCC2)cc(O)c1O ZINC001204346041 939758276 /nfs/dbraw/zinc/75/82/76/939758276.db2.gz KCTWTIZYZVTSOW-UHFFFAOYSA-N 1 0 280.368 1.634 20 10 CDCDRO CC1([NH3+])CN(Cc2cc(O)c(Br)cc2O)C1 ZINC001204993405 939812087 /nfs/dbraw/zinc/81/20/87/939812087.db2.gz IJPNXSKUIJMUBK-UHFFFAOYSA-N 1 0 287.157 1.393 20 10 CDCDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001205229712 939839944 /nfs/dbraw/zinc/83/99/44/939839944.db2.gz OKIWRWYCZCUHSI-AWEZNQCLSA-N 1 0 286.322 1.346 20 10 CDCDRO C[C@@]1([NH3+])CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205281670 939876132 /nfs/dbraw/zinc/87/61/32/939876132.db2.gz XMZBEPFLUDUXKB-OAHLLOKOSA-N 1 0 278.352 1.794 20 10 CDCDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001276516531 940166678 /nfs/dbraw/zinc/16/66/78/940166678.db2.gz GLQGUAXCPLIRSQ-INIZCTEOSA-N 1 0 292.379 1.721 20 10 CDCDRO [NH3+][C@H]1CCN[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217757661 941018150 /nfs/dbraw/zinc/01/81/50/941018150.db2.gz QPCRWWGJPMRCDJ-UONOGXRCSA-N 1 0 295.346 1.889 20 10 CDCDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)Cc1ccc(N)cc1)C2 ZINC001220716770 941466457 /nfs/dbraw/zinc/46/64/57/941466457.db2.gz RCALELNJAKKNKW-PHZGNYQRSA-N 1 0 287.407 1.943 20 10 CDCDRO Oc1cc(O)c(CN2CCC[C@]23CCC[NH2+]C3)cc1O ZINC001222252604 941578933 /nfs/dbraw/zinc/57/89/33/941578933.db2.gz HOJLMWODAJIIBI-HNNXBMFYSA-N 1 0 278.352 1.521 20 10 CDCDRO COc1ccc(C[NH2+]C23CC(C(=O)N(C)C)(C2)C3)c(O)c1 ZINC001277456864 942622653 /nfs/dbraw/zinc/62/26/53/942622653.db2.gz INOYCNJBHVYGFV-UHFFFAOYSA-N 1 0 290.363 1.501 20 10 CDCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]2C1 ZINC001231563357 942928445 /nfs/dbraw/zinc/92/84/45/942928445.db2.gz OSBUKOYVQDSNOX-OCCSQVGLSA-N 1 0 290.363 1.474 20 10 CDCDRO C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(C(=O)[O-])ccc3O)C2)C1 ZINC001231565592 942930539 /nfs/dbraw/zinc/93/05/39/942930539.db2.gz HRVKSYLZELHWNV-INIZCTEOSA-N 1 0 290.363 1.618 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)cc1O ZINC001231634205 942949458 /nfs/dbraw/zinc/94/94/58/942949458.db2.gz JJQITHPSNYRKSU-BXKDBHETSA-N 1 0 271.288 1.011 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c(O)cc1O ZINC001231635349 942951135 /nfs/dbraw/zinc/95/11/35/942951135.db2.gz XEVFLWSOMDEKMT-BONVTDFDSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)cc1O ZINC001231638131 942954455 /nfs/dbraw/zinc/95/44/55/942954455.db2.gz VJBQEUAAOBUUSU-QMTHXVAHSA-N 1 0 279.336 1.717 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001231848699 943028213 /nfs/dbraw/zinc/02/82/13/943028213.db2.gz KEMVOUJVTBJSCH-WFASDCNBSA-N 1 0 278.396 1.964 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261191 943192082 /nfs/dbraw/zinc/19/20/82/943192082.db2.gz WLVVLNJWPJNVHB-QMMMGPOBSA-N 1 0 285.727 1.746 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001277659670 943255438 /nfs/dbraw/zinc/25/54/38/943255438.db2.gz CFPJLBZHDSSITE-IAQYHMDHSA-N 1 0 276.336 1.008 20 10 CDCDRO CCN1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232833623 943412211 /nfs/dbraw/zinc/41/22/11/943412211.db2.gz BILKIYWTKWYHII-UHFFFAOYSA-N 1 0 263.385 1.596 20 10 CDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232833721 943412728 /nfs/dbraw/zinc/41/27/28/943412728.db2.gz DBRPBHNARINIGH-FZMZJTMJSA-N 1 0 264.369 1.661 20 10 CDCDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232834934 943412876 /nfs/dbraw/zinc/41/28/76/943412876.db2.gz QZCPASVKKSXIIB-CYBMUJFWSA-N 1 0 278.352 1.596 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC001232838284 943416230 /nfs/dbraw/zinc/41/62/30/943416230.db2.gz COVPCDUKGAVUIX-CYBMUJFWSA-N 1 0 250.342 1.679 20 10 CDCDRO COC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1O)C1CC1 ZINC001232840941 943417519 /nfs/dbraw/zinc/41/75/19/943417519.db2.gz NQGHGWOIMRIFAV-UHFFFAOYSA-N 1 0 292.379 1.986 20 10 CDCDRO Oc1cc(CN2CC[NH+](C3CCC3)CC2)cc(O)c1O ZINC001233009808 943460190 /nfs/dbraw/zinc/46/01/90/943460190.db2.gz BYYKMTXTODGZHR-UHFFFAOYSA-N 1 0 278.352 1.474 20 10 CDCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)c(O)c(O)c1 ZINC001233015427 943463354 /nfs/dbraw/zinc/46/33/54/943463354.db2.gz NHITXZCSZMYMGA-FOSCPWQOSA-N 1 0 279.336 1.945 20 10 CDCDRO COC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016390 943464740 /nfs/dbraw/zinc/46/47/40/943464740.db2.gz VNTBNKFSOXTWCA-LLVKDONJSA-N 1 0 295.335 1.579 20 10 CDCDRO C[C@@H]1CN(Cc2c(O)ccc(F)c2F)CC[N@@H+]1C ZINC001233334972 943548376 /nfs/dbraw/zinc/54/83/76/943548376.db2.gz BVLNGZUSTHSSCV-SECBINFHSA-N 1 0 256.296 1.806 20 10 CDCDRO C[C@@]1(O)CCCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482790 943591341 /nfs/dbraw/zinc/59/13/41/943591341.db2.gz CAZDPEIWJORVNF-CQSZACIVSA-N 1 0 267.325 1.540 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1O ZINC001233483400 943591975 /nfs/dbraw/zinc/59/19/75/943591975.db2.gz YHJPFBCASBDHBF-KOLCDFICSA-N 1 0 265.309 1.272 20 10 CDCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485928 943594391 /nfs/dbraw/zinc/59/43/91/943594391.db2.gz QLWFPBSRNSYAFN-SCZZXKLOSA-N 1 0 253.298 1.149 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1O ZINC001233486645 943595757 /nfs/dbraw/zinc/59/57/57/943595757.db2.gz WKIUXGKREKJBRS-HGNGGELXSA-N 1 0 253.273 1.736 20 10 CDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1c(O)cccc1F ZINC001263199989 943784820 /nfs/dbraw/zinc/78/48/20/943784820.db2.gz WVSOLKZDMFMCAJ-QMMMGPOBSA-N 1 0 252.289 1.288 20 10 CDCDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc(O)c1O ZINC001235072778 944041452 /nfs/dbraw/zinc/04/14/52/944041452.db2.gz LHOTXNVFNAQOCL-GHMZBOCLSA-N 1 0 264.325 1.043 20 10 CDCDRO O=C([O-])c1ccc(O)c(CN2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235121792 944060579 /nfs/dbraw/zinc/06/05/79/944060579.db2.gz ZNRBYWSALARDPT-MRXNPFEDSA-N 1 0 290.363 1.808 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(OC)c1 ZINC001235987409 944352161 /nfs/dbraw/zinc/35/21/61/944352161.db2.gz FSPGXOJZLOXNPZ-BONVTDFDSA-N 1 0 278.352 1.333 20 10 CDCDRO CN1CCCc2cc(CN3C[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001236024915 944380809 /nfs/dbraw/zinc/38/08/09/944380809.db2.gz UVJDSLPORTTYRR-GDBMZVCRSA-N 1 0 257.381 1.602 20 10 CDCDRO COC(=O)c1c(CN2C[C@@H]3C[C@]3([NH3+])C2)c2ccccc2n1C ZINC001236032250 944385364 /nfs/dbraw/zinc/38/53/64/944385364.db2.gz VSAUOAVLDXLVQA-GTNSWQLSSA-N 1 0 299.374 1.498 20 10 CDCDRO c1cc(N2CCCC2)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236295676 944453549 /nfs/dbraw/zinc/45/35/49/944453549.db2.gz YSDYMANRISYLBH-GDBMZVCRSA-N 1 0 257.381 1.690 20 10 CDCDRO Oc1ccc2ccccc2c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236300058 944458683 /nfs/dbraw/zinc/45/86/83/944458683.db2.gz ZYFJALSWOASDFQ-SWLSCSKDSA-N 1 0 254.333 1.949 20 10 CDCDRO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)cc2O)n1C ZINC000393227095 944485594 /nfs/dbraw/zinc/48/55/94/944485594.db2.gz YVKYXFLDIJDLKQ-SNVBAGLBSA-N 1 0 260.341 1.988 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCOC[C@@H]2C)c(O)c1 ZINC001236807679 944575968 /nfs/dbraw/zinc/57/59/68/944575968.db2.gz IUZSKZGPEHLSDH-NSHDSACASA-N 1 0 251.326 1.930 20 10 CDCDRO COCC1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236817028 944578804 /nfs/dbraw/zinc/57/88/04/944578804.db2.gz BQGIQRWUNUERSZ-UHFFFAOYSA-N 1 0 251.326 1.787 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001237485373 944811305 /nfs/dbraw/zinc/81/13/05/944811305.db2.gz OVJAENCVHHNOQJ-OAHLLOKOSA-N 1 0 260.337 1.413 20 10 CDCDRO Cc1cccc(O)c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001237496494 944816546 /nfs/dbraw/zinc/81/65/46/944816546.db2.gz YVGHQRKXPMRFNC-HNNXBMFYSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@H]2CO)c(O)c(OC)c1 ZINC001237674458 944918057 /nfs/dbraw/zinc/91/80/57/944918057.db2.gz IMCXAENIQCONLU-LBPRGKRZSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1cc(C[NH+]2CC(C)(CO)C2)c(O)c(OC)c1 ZINC001237675431 944920836 /nfs/dbraw/zinc/92/08/36/944920836.db2.gz XKFKHHUOKBWDMX-UHFFFAOYSA-N 1 0 267.325 1.224 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC001238071461 945052477 /nfs/dbraw/zinc/05/24/77/945052477.db2.gz XSXSHJNMKAWCBK-UHFFFAOYSA-N 1 0 294.326 1.914 20 10 CDCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC001262562823 946712383 /nfs/dbraw/zinc/71/23/83/946712383.db2.gz MWYJOJSVMLNXMW-UHFFFAOYSA-N 1 0 288.395 1.577 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001262586104 946740771 /nfs/dbraw/zinc/74/07/71/946740771.db2.gz UZKWALIOJGFOLJ-OLZOCXBDSA-N 1 0 262.357 1.338 20 10 CDCDRO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001253714504 952056609 /nfs/dbraw/zinc/05/66/09/952056609.db2.gz BOYGEIKNEUDMET-CHWSQXEVSA-N 1 0 269.341 1.128 20 10 CDCDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001308604929 956551413 /nfs/dbraw/zinc/55/14/13/956551413.db2.gz CEQRYWVOYTUCLB-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO CC1(C[NH2+]Cc2ccc3c(c2)CCCO3)OCCO1 ZINC001332314744 957514914 /nfs/dbraw/zinc/51/49/14/957514914.db2.gz KOSXIYUGTCTARS-UHFFFAOYSA-N 1 0 263.337 1.864 20 10 CDCDRO COc1ccc(C[NH2+]CC2(O)CCCC2)c(O)c1OC ZINC001333722893 958544373 /nfs/dbraw/zinc/54/43/73/958544373.db2.gz BMDCLFSTVABEPN-UHFFFAOYSA-N 1 0 281.352 1.804 20 10 CDCDRO CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC001334160791 958890488 /nfs/dbraw/zinc/89/04/88/958890488.db2.gz GVGJCBDZPWSUCI-OAHLLOKOSA-N 1 0 290.411 1.646 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001335490560 959841670 /nfs/dbraw/zinc/84/16/70/959841670.db2.gz HUSUNZRFIGSOHT-ABAIWWIYSA-N 1 0 288.395 1.551 20 10 CDCDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccc(N)cc1 ZINC001336118663 960211709 /nfs/dbraw/zinc/21/17/09/960211709.db2.gz ZSFCRXHZARLINP-UHFFFAOYSA-N 1 0 270.398 1.572 20 10 CDCDRO Nc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC001338625702 961917932 /nfs/dbraw/zinc/91/79/32/961917932.db2.gz RFDGJZKBEWIMMI-GFCCVEGCSA-N 1 0 262.357 1.068 20 10 CDCDRO C[N@H+](CC(=O)NCc1cccc(O)c1O)C1CCC1 ZINC001347542460 965579742 /nfs/dbraw/zinc/57/97/42/965579742.db2.gz MTYUWZITKDNNKH-UHFFFAOYSA-N 1 0 264.325 1.198 20 10 CDCDRO COC[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CCO1 ZINC001355225811 969093189 /nfs/dbraw/zinc/09/31/89/969093189.db2.gz JYVQRVBGAPMVGE-LBPRGKRZSA-N 1 0 297.351 1.257 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]2F)cc1 ZINC001521145488 970264217 /nfs/dbraw/zinc/26/42/17/970264217.db2.gz VZGIOQITWUPVAG-FRRDWIJNSA-N 1 0 265.332 1.227 20 10 CDCDRO CC[NH+](CC)CCNC(=O)NCc1cccc(OC)c1O ZINC000173265555 365681346 /nfs/dbraw/zinc/68/13/46/365681346.db2.gz DYRUPZUIGAKWJW-UHFFFAOYSA-N 1 0 295.383 1.542 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCN(C)CC2)c1O ZINC000019358778 356482567 /nfs/dbraw/zinc/48/25/67/356482567.db2.gz JGESVUQYYRXJHM-UHFFFAOYSA-N 1 0 250.342 1.538 20 10 CDCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000037740852 356922354 /nfs/dbraw/zinc/92/23/54/356922354.db2.gz IXDPEYQQOXMKQB-NSHDSACASA-N 1 0 270.398 1.448 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000179637424 357216693 /nfs/dbraw/zinc/21/66/93/357216693.db2.gz YWWVCKBMVLNCJZ-ZDUSSCGKSA-N 1 0 278.352 1.453 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000179950678 357232478 /nfs/dbraw/zinc/23/24/78/357232478.db2.gz AAOIVTMISBZNLW-OAHLLOKOSA-N 1 0 294.370 1.828 20 10 CDCDRO CCCCC[N@H+](CC(N)=O)Cc1cc2c(cc1O)OCO2 ZINC000180810625 357289920 /nfs/dbraw/zinc/28/99/20/357289920.db2.gz KDRJINUFYSAJBA-UHFFFAOYSA-N 1 0 294.351 1.598 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(C(=O)OC)CC2)c1O ZINC000188680598 357925901 /nfs/dbraw/zinc/92/59/01/357925901.db2.gz JTNGUXQPXIBHKP-UHFFFAOYSA-N 1 0 279.336 1.834 20 10 CDCDRO COC(=O)[C@@]1(C)CCCN1Cc1cc(OC)ccc1O ZINC000189988217 358048295 /nfs/dbraw/zinc/04/82/95/358048295.db2.gz XDVZXTIERNDHFT-OAHLLOKOSA-N 1 0 279.336 1.928 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000364245099 358117046 /nfs/dbraw/zinc/11/70/46/358117046.db2.gz HGXFAUDIOBHPOI-UHFFFAOYSA-N 1 0 296.370 1.847 20 10 CDCDRO CCN1CCC[N@H+](Cc2cc(OC)ccc2O)CC1=O ZINC000191546609 358138288 /nfs/dbraw/zinc/13/82/88/358138288.db2.gz UEPRAHHZMITBPM-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000226589385 359703081 /nfs/dbraw/zinc/70/30/81/359703081.db2.gz QJPUYOUROJHPAL-UHFFFAOYSA-N 1 0 256.321 1.199 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1C ZINC000267008514 363710250 /nfs/dbraw/zinc/71/02/50/363710250.db2.gz FYACACSPZOPSOX-CQSZACIVSA-N 1 0 267.394 1.961 20 10 CDCDRO COC[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)OC ZINC000230672278 360338440 /nfs/dbraw/zinc/33/84/40/360338440.db2.gz UAXGCNQWTMEHAN-ONGXEEELSA-N 1 0 257.305 1.843 20 10 CDCDRO COc1cccc(C[N@H+](CC(N)=O)C(C)C)c1O ZINC000133017238 361316231 /nfs/dbraw/zinc/31/62/31/361316231.db2.gz RKIIZQOPGDHKHY-UHFFFAOYSA-N 1 0 252.314 1.097 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1COCCN1)c1ccccc1O ZINC000530227799 361495133 /nfs/dbraw/zinc/49/51/33/361495133.db2.gz VWEMXEUIVAHANG-AAEUAGOBSA-N 1 0 250.342 1.421 20 10 CDCDRO Cc1nccnc1CC[NH2+]Cc1cc(F)ccc1O ZINC000293585987 370700373 /nfs/dbraw/zinc/70/03/73/370700373.db2.gz IDGJUNKTKDVJDG-UHFFFAOYSA-N 1 0 261.300 1.962 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(F)ccc1O)C(C)C ZINC000293760361 370784968 /nfs/dbraw/zinc/78/49/68/370784968.db2.gz XQVAQOAAMWWUFU-ZDUSSCGKSA-N 1 0 268.332 1.782 20 10 CDCDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccccc1O ZINC000293800266 370803707 /nfs/dbraw/zinc/80/37/07/370803707.db2.gz UXXOFYIPRPIBJG-LLVKDONJSA-N 1 0 260.341 1.804 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000272559707 365294039 /nfs/dbraw/zinc/29/40/39/365294039.db2.gz SXBRBXPLXZECGC-MNOVXSKESA-N 1 0 251.326 1.604 20 10 CDCDRO C[NH+](C)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000281662385 367670530 /nfs/dbraw/zinc/67/05/30/367670530.db2.gz JAEABZKXCYDMPA-FNORWQNLSA-N 1 0 290.363 1.712 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C(=O)NCCF)c1 ZINC000282707223 368000761 /nfs/dbraw/zinc/00/07/61/368000761.db2.gz PHZLLEQWQOOYHK-SNVBAGLBSA-N 1 0 254.305 1.264 20 10 CDCDRO CCCOc1ccc(CN2CC(=O)NCC2(C)C)c(O)c1 ZINC000282894618 368090218 /nfs/dbraw/zinc/09/02/18/368090218.db2.gz ZOYYLUWFDQSFIW-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1ccc(N(C)C[C@H](O)C[N@H+](C)C2CC2)c(OC)c1 ZINC000289332648 369545391 /nfs/dbraw/zinc/54/53/91/369545391.db2.gz HWLHWQLOJIRSEL-CYBMUJFWSA-N 1 0 294.395 1.595 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000294720671 371086633 /nfs/dbraw/zinc/08/66/33/371086633.db2.gz CLTKDSPARYXOKO-HDJSIYSDSA-N 1 0 275.396 1.693 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)c1c(F)ccc(O)c1O ZINC000295463319 371291536 /nfs/dbraw/zinc/29/15/36/371291536.db2.gz YSIQHUBADMEMCM-UHFFFAOYSA-N 1 0 284.331 1.699 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000296540047 378737564 /nfs/dbraw/zinc/73/75/64/378737564.db2.gz QWZBSWOEURSSRN-WDEREUQCSA-N 1 0 286.397 1.371 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Cl)ccc1O ZINC000295815215 378709593 /nfs/dbraw/zinc/70/95/93/378709593.db2.gz BIPSRAFOOAGPEZ-NYRNMGCKSA-N 1 0 257.717 1.456 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000370798107 390516374 /nfs/dbraw/zinc/51/63/74/390516374.db2.gz IMIKEQRZKILTFI-ZDUSSCGKSA-N 1 0 252.289 1.052 20 10 CDCDRO C[N@H+](Cc1ccccc1O)CC1(O)CCOCC1 ZINC000121153439 390881279 /nfs/dbraw/zinc/88/12/79/390881279.db2.gz PHXLMTYYBAXGQO-UHFFFAOYSA-N 1 0 251.326 1.366 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093361050 390901732 /nfs/dbraw/zinc/90/17/32/390901732.db2.gz ZQCVVQONVROWEN-GFCCVEGCSA-N 1 0 278.352 1.359 20 10 CDCDRO CC(C)N1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000296840446 391061914 /nfs/dbraw/zinc/06/19/14/391061914.db2.gz MYAKHTLQNMFXHD-OLZOCXBDSA-N 1 0 274.364 1.978 20 10 CDCDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1O ZINC000174854126 391128332 /nfs/dbraw/zinc/12/83/32/391128332.db2.gz QVLDOMCUFPJCHD-UHFFFAOYSA-N 1 0 276.296 1.629 20 10 CDCDRO CC(C)OCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179578371 391213228 /nfs/dbraw/zinc/21/32/28/391213228.db2.gz SPXRNZLSVAQLQZ-UHFFFAOYSA-N 1 0 278.396 1.935 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000183449853 391264146 /nfs/dbraw/zinc/26/41/46/391264146.db2.gz DSPBYJLREITICV-SECBINFHSA-N 1 0 268.744 1.661 20 10 CDCDRO CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)[NH+](C)C ZINC000236711071 391270494 /nfs/dbraw/zinc/27/04/94/391270494.db2.gz JMANELFPCHATST-AWEZNQCLSA-N 1 0 263.385 1.514 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000193674555 391344413 /nfs/dbraw/zinc/34/44/13/391344413.db2.gz LVPQLTGFFHQNIK-XPTSAGLGSA-N 1 0 262.353 1.623 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070576703 175992155 /nfs/dbraw/zinc/99/21/55/175992155.db2.gz CVSRTVLGTLYWNJ-DGCLKSJQSA-N 1 0 262.353 1.868 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000072313434 176368377 /nfs/dbraw/zinc/36/83/77/176368377.db2.gz XKWCXMFPLSKWFD-NSHDSACASA-N 1 0 264.325 1.111 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000280900059 328236907 /nfs/dbraw/zinc/23/69/07/328236907.db2.gz PROYVQQRHZGBOH-TUAOUCFPSA-N 1 0 283.343 1.827 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2COCCN2)cc1C ZINC000258809697 326879311 /nfs/dbraw/zinc/87/93/11/326879311.db2.gz BKPDBLQNPJFHKS-ZDUSSCGKSA-N 1 0 250.342 1.082 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](CO)SC)c1 ZINC000224856834 329244915 /nfs/dbraw/zinc/24/49/15/329244915.db2.gz LPSUYZHFQSZJCF-TVQRCGJNSA-N 1 0 271.382 1.603 20 10 CDCDRO CCC(CC)(C[NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000262009009 329996960 /nfs/dbraw/zinc/99/69/60/329996960.db2.gz QPJDBYDBDFRFDR-UHFFFAOYSA-N 1 0 263.385 1.693 20 10 CDCDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001168967869 1161996347 /nfs/dbraw/zinc/99/63/47/1161996347.db2.gz UAEFWMXAZFZUOS-CHIMOYNISA-N 1 0 296.323 1.166 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000299507714 519861434 /nfs/dbraw/zinc/86/14/34/519861434.db2.gz NESCWCUJNUAFNK-ZDUSSCGKSA-N 1 0 291.395 1.923 20 10 CDCDRO CCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801575 519876229 /nfs/dbraw/zinc/87/62/29/519876229.db2.gz MISPTSPABZCAQL-UHFFFAOYSA-N 1 0 261.369 1.424 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1OC ZINC000274847857 520428388 /nfs/dbraw/zinc/42/83/88/520428388.db2.gz ATWGTJDAUXKUNH-IACUBPJLSA-N 1 0 269.316 1.813 20 10 CDCDRO CC1(C[NH2+]Cc2cc3c(cc2O)OCO3)COC1 ZINC000083523117 520734310 /nfs/dbraw/zinc/73/43/10/520734310.db2.gz IHBXRCSCWCYHIC-UHFFFAOYSA-N 1 0 251.282 1.247 20 10 CDCDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000037643441 521716824 /nfs/dbraw/zinc/71/68/24/521716824.db2.gz YZLRQRDEBTYOMX-CYBMUJFWSA-N 1 0 261.369 1.269 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000266229173 522094715 /nfs/dbraw/zinc/09/47/15/522094715.db2.gz SYLJCBOKNPUAPJ-UHFFFAOYSA-N 1 0 287.363 1.754 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000275897313 522208609 /nfs/dbraw/zinc/20/86/09/522208609.db2.gz MOYFLTWNRKGTQG-LLVKDONJSA-N 1 0 286.397 1.209 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC)c1ccc(C)cc1O ZINC000291885047 522684641 /nfs/dbraw/zinc/68/46/41/522684641.db2.gz JXTWQHDIVQKJJO-JQWIXIFHSA-N 1 0 250.342 1.876 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccccc1O ZINC000274878200 522853142 /nfs/dbraw/zinc/85/31/42/522853142.db2.gz HANRRHPEPQRAKC-UKRRQHHQSA-N 1 0 275.352 1.900 20 10 CDCDRO COC(=O)CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866548 523075135 /nfs/dbraw/zinc/07/51/35/523075135.db2.gz UBZNNYJDWFDFML-UHFFFAOYSA-N 1 0 296.342 1.519 20 10 CDCDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618131 523608141 /nfs/dbraw/zinc/60/81/41/523608141.db2.gz MBWQKLDCERATDH-NSHDSACASA-N 1 0 270.348 1.760 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000290099120 524009592 /nfs/dbraw/zinc/00/95/92/524009592.db2.gz INCYDOSAFWQPHV-STQMWFEESA-N 1 0 283.299 1.237 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279352461 524734065 /nfs/dbraw/zinc/73/40/65/524734065.db2.gz GGXTWTPSHLIQIS-ZDUSSCGKSA-N 1 0 294.395 1.553 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1 ZINC000279833231 524752905 /nfs/dbraw/zinc/75/29/05/524752905.db2.gz QLTXQNKDKXHMKW-CYBMUJFWSA-N 1 0 292.379 1.749 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000227965280 525348719 /nfs/dbraw/zinc/34/87/19/525348719.db2.gz JYZSUHVGTPFEIC-BXUZGUMPSA-N 1 0 251.326 1.330 20 10 CDCDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000083399601 525545133 /nfs/dbraw/zinc/54/51/33/525545133.db2.gz RGFJMZSFWHGKES-SNVBAGLBSA-N 1 0 254.355 1.089 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(O)c1 ZINC000769524316 575356694 /nfs/dbraw/zinc/35/66/94/575356694.db2.gz LHXGWJQYSZIFEU-GFCCVEGCSA-N 1 0 292.379 1.878 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)c(O)c1 ZINC000765795039 576056775 /nfs/dbraw/zinc/05/67/75/576056775.db2.gz GVSRTPXKVMCVAZ-ZIAGYGMSSA-N 1 0 292.379 1.795 20 10 CDCDRO C[N@H+](CCn1cccn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768446345 576284094 /nfs/dbraw/zinc/28/40/94/576284094.db2.gz JRINDTKPCXCNLX-AWEZNQCLSA-N 1 0 289.335 1.147 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464735 576286592 /nfs/dbraw/zinc/28/65/92/576286592.db2.gz SWWZERAQXNWLFI-ZWNOBZJWSA-N 1 0 265.309 1.039 20 10 CDCDRO C[C@@H]1COCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465947 576288060 /nfs/dbraw/zinc/28/80/60/576288060.db2.gz UEPULPRSCUDMFS-IINYFYTJSA-N 1 0 279.336 1.286 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000744449913 576681415 /nfs/dbraw/zinc/68/14/15/576681415.db2.gz HZHRTKKKFCNYRY-GFCCVEGCSA-N 1 0 264.369 1.832 20 10 CDCDRO Nc1ccc(CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000746296117 576769763 /nfs/dbraw/zinc/76/97/63/576769763.db2.gz WMYVTMAHLICWRO-UHFFFAOYSA-N 1 0 296.374 1.555 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)C[N@@H+]1C1CC1 ZINC000753926759 576866309 /nfs/dbraw/zinc/86/63/09/576866309.db2.gz UFYZFBXUSOKODL-WCQYABFASA-N 1 0 289.379 1.817 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)S(C)(=O)=O)c1 ZINC000754084807 576878743 /nfs/dbraw/zinc/87/87/43/576878743.db2.gz CHIYFERPCRDGRU-JTQLQIEISA-N 1 0 287.381 1.314 20 10 CDCDRO COC(=O)N1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000754723785 576912589 /nfs/dbraw/zinc/91/25/89/576912589.db2.gz VKPYYJCIWJNFSI-UHFFFAOYSA-N 1 0 278.352 1.893 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000754890327 576921116 /nfs/dbraw/zinc/92/11/16/576921116.db2.gz QYEFFWMGMCZGJE-JTQLQIEISA-N 1 0 285.365 1.068 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[NH2+]CCC(=O)[O-])cc2)CC1 ZINC000789899242 598161675 /nfs/dbraw/zinc/16/16/75/598161675.db2.gz TWJZKNJIMBGYHV-UHFFFAOYSA-N 1 0 277.368 1.003 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)Cn2cccn2)c(O)c1OC ZINC000892552731 617498996 /nfs/dbraw/zinc/49/89/96/617498996.db2.gz BBMCAKMPEWOQIS-NSHDSACASA-N 1 0 291.351 1.784 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000892146189 617506862 /nfs/dbraw/zinc/50/68/62/617506862.db2.gz NTFIZIKSOMHCAX-BBBLOLIVSA-N 1 0 251.330 1.488 20 10 CDCDRO COc1ccc(C[NH2+]CCC2(C)OCCO2)c(O)c1OC ZINC000893579274 617613313 /nfs/dbraw/zinc/61/33/13/617613313.db2.gz BUPPCRLAVMGMJS-UHFFFAOYSA-N 1 0 297.351 1.652 20 10 CDCDRO CS/C=C\C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297355 617698543 /nfs/dbraw/zinc/69/85/43/617698543.db2.gz HLYPPTNVPCPTOK-YXVBKTCISA-N 1 0 279.409 1.745 20 10 CDCDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893661835 617812603 /nfs/dbraw/zinc/81/26/03/617812603.db2.gz SDFQUAKSKSBWSF-QMAVJUDZSA-N 1 0 281.352 1.826 20 10 CDCDRO COc1ccc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c(O)c1OC ZINC000893669271 617819026 /nfs/dbraw/zinc/81/90/26/617819026.db2.gz LSPGNJZXLQRISI-VXGBXAGGSA-N 1 0 294.395 1.934 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c(O)c1OC ZINC000893472326 617963192 /nfs/dbraw/zinc/96/31/92/617963192.db2.gz QHGOCLLDTNMHEM-GHMZBOCLSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000840977850 617983769 /nfs/dbraw/zinc/98/37/69/617983769.db2.gz KLSNYKGFOHXXBF-NWDGAFQWSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1O ZINC000922589372 618274278 /nfs/dbraw/zinc/27/42/78/618274278.db2.gz KDWHJTWCSPAISE-AWEZNQCLSA-N 1 0 264.369 1.593 20 10 CDCDRO COC(=O)c1c(C[NH2+]CCCO)c2cc(F)ccc2n1C ZINC000894145363 618626599 /nfs/dbraw/zinc/62/65/99/618626599.db2.gz AYUGVZRPXMLJDS-UHFFFAOYSA-N 1 0 294.326 1.576 20 10 CDCDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1(F)F ZINC000894160075 618638738 /nfs/dbraw/zinc/63/87/38/618638738.db2.gz KGRBLKIKMFSIAW-OLZOCXBDSA-N 1 0 298.333 1.897 20 10 CDCDRO Oc1ccc(Br)cc1CN[C@H]1CCC[NH2+]C1 ZINC000841043906 618678571 /nfs/dbraw/zinc/67/85/71/618678571.db2.gz YZYXHDGQMRJUIP-NSHDSACASA-N 1 0 285.185 1.996 20 10 CDCDRO COC[C@@]1(CNCc2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000841066599 618680230 /nfs/dbraw/zinc/68/02/30/618680230.db2.gz DDVCDBHGRBZFLT-AWEZNQCLSA-N 1 0 284.787 1.904 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843056950 618691071 /nfs/dbraw/zinc/69/10/71/618691071.db2.gz DCSRJWJQSMDUFD-UWVGGRQHSA-N 1 0 295.339 1.478 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843056952 618691440 /nfs/dbraw/zinc/69/14/40/618691440.db2.gz DCSRJWJQSMDUFD-ZJUUUORDSA-N 1 0 295.339 1.478 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000843057843 618691836 /nfs/dbraw/zinc/69/18/36/618691836.db2.gz MMBNDQHHTLOTTE-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2csnn2)cc1 ZINC000843298805 618701732 /nfs/dbraw/zinc/70/17/32/618701732.db2.gz QCAPHZDGHWUUHX-LLVKDONJSA-N 1 0 291.380 1.034 20 10 CDCDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894366913 618824199 /nfs/dbraw/zinc/82/41/99/618824199.db2.gz OMCKGTSWKHSFLU-ZDUSSCGKSA-N 1 0 294.395 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)O)c1O ZINC000894437958 618887050 /nfs/dbraw/zinc/88/70/50/618887050.db2.gz UACHTHDKCCDHPU-WDEREUQCSA-N 1 0 253.342 1.958 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895327946 619564984 /nfs/dbraw/zinc/56/49/84/619564984.db2.gz FGVHGVYFYZYOIW-DOMZBBRYSA-N 1 0 281.352 1.109 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1 ZINC000895332629 619571833 /nfs/dbraw/zinc/57/18/33/619571833.db2.gz XBXBMGRAIFLJQR-TZMCWYRMSA-N 1 0 251.326 1.018 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000911783235 629500209 /nfs/dbraw/zinc/50/02/09/629500209.db2.gz ROBJQKMFHZQQAO-HNNXBMFYSA-N 1 0 275.396 1.800 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000157780589 630611962 /nfs/dbraw/zinc/61/19/62/630611962.db2.gz AIRBVYRSFBGIEZ-GFCCVEGCSA-N 1 0 263.385 1.755 20 10 CDCDRO CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)[NH+](C)C ZINC000151545441 630693887 /nfs/dbraw/zinc/69/38/87/630693887.db2.gz VVPBQCRJXXCFNT-GXFFZTMASA-N 1 0 280.368 1.918 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001170503033 1162663168 /nfs/dbraw/zinc/66/31/68/1162663168.db2.gz AKMUKSLWMKQURT-GYSYKLTISA-N 1 0 295.335 1.063 20 10 CDCDRO CCc1cccc(C[NH2+]CC[S@@](=O)CC)c1O ZINC000691521280 1162042199 /nfs/dbraw/zinc/04/21/99/1162042199.db2.gz IKOXGDNECKCNCL-KRWDZBQOSA-N 1 0 255.383 1.813 20 10 CDCDRO C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001170098017 1162073100 /nfs/dbraw/zinc/07/31/00/1162073100.db2.gz JRHWIDNMMREMCX-PXWWUCIGSA-N 1 0 251.326 1.909 20 10 CDCDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cn1)Cc1ccccc1O ZINC001604807048 1163333790 /nfs/dbraw/zinc/33/37/90/1163333790.db2.gz GUNHMTVLAWPGMA-UHFFFAOYSA-N 1 0 296.334 1.599 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000876739341 1165905014 /nfs/dbraw/zinc/90/50/14/1165905014.db2.gz OWBNBNPPAVWTLB-NEPJUHHUSA-N 1 0 285.409 1.954 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000877120671 1165978461 /nfs/dbraw/zinc/97/84/61/1165978461.db2.gz LVGLFDHGHAEKSJ-SNVBAGLBSA-N 1 0 257.355 1.223 20 10 CDCDRO COc1c(O)c(C[NH2+]C2(C)COC2)ccc1[N+](=O)[O-] ZINC000877691361 1166078767 /nfs/dbraw/zinc/07/87/67/1166078767.db2.gz NWDGVFOCFTZNCY-UHFFFAOYSA-N 1 0 268.269 1.188 20 10 CDCDRO C[NH2+]C1CC(C(=O)NCc2cccc(Cl)c2O)C1 ZINC001578595430 1171959270 /nfs/dbraw/zinc/95/92/70/1171959270.db2.gz YQOBSUATRUUQND-UHFFFAOYSA-N 1 0 268.744 1.660 20 10 CDCDRO COc1cc(OC)cc(N(C)C(=O)C2=CCC[NH2+]CC2)c1 ZINC001579168976 1172111690 /nfs/dbraw/zinc/11/16/90/1172111690.db2.gz GXYJTVMMEDMHKX-UHFFFAOYSA-N 1 0 290.363 1.976 20 10 CDCDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001580374677 1172416136 /nfs/dbraw/zinc/41/61/36/1172416136.db2.gz WXYNIVGEWVYCRA-MWLCHTKSSA-N 1 0 264.325 1.232 20 10 CDCDRO O=C(NCc1cccc(O)c1O)[C@H]1C[NH2+]CCC12CCC2 ZINC001580718099 1172521174 /nfs/dbraw/zinc/52/11/74/1172521174.db2.gz BAPFLXUFPOWOHI-GFCCVEGCSA-N 1 0 290.363 1.494 20 10 CDCDRO COc1cccc(C[NH2+]CC(=O)NCC(C)C)c1O ZINC000134638702 1175820410 /nfs/dbraw/zinc/82/04/10/1175820410.db2.gz HDQQGRBZFMUORI-UHFFFAOYSA-N 1 0 266.341 1.263 20 10 CDCDRO CC(C)CNC(=O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311780996 1186691561 /nfs/dbraw/zinc/69/15/61/1186691561.db2.gz YLQOZRRGEAUFIM-GFCCVEGCSA-N 1 0 262.353 1.741 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000322860341 828820746 /nfs/dbraw/zinc/82/07/46/828820746.db2.gz BKMQGMFDZWMATB-QMMMGPOBSA-N 1 0 256.733 1.660 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCOC1 ZINC000037738432 833136068 /nfs/dbraw/zinc/13/60/68/833136068.db2.gz OZVSKSUCWQVEJU-HNNXBMFYSA-N 1 0 276.380 1.649 20 10 CDCDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c(C)cccc1O)CC2 ZINC000877003028 833167708 /nfs/dbraw/zinc/16/77/08/833167708.db2.gz JHOYMJVYQYSOCI-LBPRGKRZSA-N 1 0 272.352 1.705 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CC[NH2+]CC1CC1 ZINC000717181702 833300635 /nfs/dbraw/zinc/30/06/35/833300635.db2.gz MXHUVOGGAYFVST-UHFFFAOYSA-N 1 0 262.353 1.740 20 10 CDCDRO CON(C)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000883170918 833317825 /nfs/dbraw/zinc/31/78/25/833317825.db2.gz JAAXIWLHSSJFOD-WAYWQWQTSA-N 1 0 263.385 1.849 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000866418858 828860588 /nfs/dbraw/zinc/86/05/88/828860588.db2.gz WEYFTFIWBFTENH-KFWWJZLASA-N 1 0 264.369 1.553 20 10 CDCDRO [NH3+][C@@H](C[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000841048916 833325848 /nfs/dbraw/zinc/32/58/48/833325848.db2.gz GQWYIPBJEIELPJ-NSHDSACASA-N 1 0 285.185 1.982 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)CCOCCO)c1 ZINC000883350564 833326532 /nfs/dbraw/zinc/32/65/32/833326532.db2.gz JDJTXJUBHRRROX-AWEZNQCLSA-N 1 0 296.411 1.292 20 10 CDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876735782 833326954 /nfs/dbraw/zinc/32/69/54/833326954.db2.gz HTZQODPUWXBQME-GFCCVEGCSA-N 1 0 298.408 1.214 20 10 CDCDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000841959936 828895116 /nfs/dbraw/zinc/89/51/16/828895116.db2.gz SNINSLNHYJLGGU-UHFFFAOYSA-N 1 0 290.411 1.547 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc[nH]2)cc1 ZINC000832281950 833334168 /nfs/dbraw/zinc/33/41/68/833334168.db2.gz WAPJAGVKLARZNC-ZDUSSCGKSA-N 1 0 272.352 1.511 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c(O)c1 ZINC000780786230 833335121 /nfs/dbraw/zinc/33/51/21/833335121.db2.gz JIOMIBGGQDTUGV-NWDGAFQWSA-N 1 0 265.353 1.994 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1O ZINC000709453361 828983993 /nfs/dbraw/zinc/98/39/93/828983993.db2.gz CHRUNABUCGCAKK-LBPRGKRZSA-N 1 0 269.366 1.231 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841881094 829062823 /nfs/dbraw/zinc/06/28/23/829062823.db2.gz NYAOSAQWXRTEOC-QWRGUYRKSA-N 1 0 264.373 1.460 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090074941 833357889 /nfs/dbraw/zinc/35/78/89/833357889.db2.gz ODLXTGBPYOOFBQ-FZMZJTMJSA-N 1 0 261.369 1.634 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921988527 833392041 /nfs/dbraw/zinc/39/20/41/833392041.db2.gz FFTPTWPPAJRYSM-ADLMAVQZSA-N 1 0 267.394 1.868 20 10 CDCDRO Nc1ccc(CCNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000841922991 829323389 /nfs/dbraw/zinc/32/33/89/829323389.db2.gz WLTZVZSFTIBCKQ-CQSZACIVSA-N 1 0 276.384 1.253 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(O)cc1C ZINC000794702180 829329774 /nfs/dbraw/zinc/32/97/74/829329774.db2.gz FKATVURHOZBMFW-HNNXBMFYSA-N 1 0 278.352 1.407 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000776520973 829526426 /nfs/dbraw/zinc/52/64/26/829526426.db2.gz RKXGOENYMHIRBW-MRXNPFEDSA-N 1 0 295.379 1.883 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000827501303 829560510 /nfs/dbraw/zinc/56/05/10/829560510.db2.gz UJMYYJILEJJGMW-WAAGHKOSSA-N 1 0 279.292 1.162 20 10 CDCDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997385 829612876 /nfs/dbraw/zinc/61/28/76/829612876.db2.gz ZEUAPHFIOHKQLY-AWEZNQCLSA-N 1 0 293.363 1.415 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000156541005 829813945 /nfs/dbraw/zinc/81/39/45/829813945.db2.gz FEOQWTPXZOAUPW-RYUDHWBXSA-N 1 0 263.385 1.694 20 10 CDCDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000120182960 829836195 /nfs/dbraw/zinc/83/61/95/829836195.db2.gz LKQRORAVPMBWQE-MRXNPFEDSA-N 1 0 294.370 1.931 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846158879 829837720 /nfs/dbraw/zinc/83/77/20/829837720.db2.gz LUUXLLFKIOFMEH-JTQLQIEISA-N 1 0 280.368 1.824 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841981786 829846842 /nfs/dbraw/zinc/84/68/42/829846842.db2.gz IVOZKTYVJSJQLY-QWHCGFSZSA-N 1 0 277.368 1.804 20 10 CDCDRO CN1C[C@H]([N@H+](C)Cc2cc(F)ccc2O)CCC1=O ZINC000862428984 829862213 /nfs/dbraw/zinc/86/22/13/829862213.db2.gz YZDXXZYRVQDXKD-GFCCVEGCSA-N 1 0 266.316 1.584 20 10 CDCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000817676303 829879658 /nfs/dbraw/zinc/87/96/58/829879658.db2.gz CXTAXASIWIERBJ-STMXVASLSA-N 1 0 290.363 1.664 20 10 CDCDRO C[C@H](O)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862324135 833585575 /nfs/dbraw/zinc/58/55/75/833585575.db2.gz DHWUCHDVRSAAQX-VIFPVBQESA-N 1 0 258.312 1.843 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000923493410 829991472 /nfs/dbraw/zinc/99/14/72/829991472.db2.gz URDJSNTYQKNLBQ-LLVKDONJSA-N 1 0 280.343 1.905 20 10 CDCDRO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1O ZINC000870988286 830056155 /nfs/dbraw/zinc/05/61/55/830056155.db2.gz LONCWMZDNHJVCJ-MNOVXSKESA-N 1 0 280.393 1.665 20 10 CDCDRO C[NH2+][C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843045458 830260119 /nfs/dbraw/zinc/26/01/19/830260119.db2.gz RUGDLZCCYLNGKY-CQSZACIVSA-N 1 0 293.386 1.456 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000817984347 830328317 /nfs/dbraw/zinc/32/83/17/830328317.db2.gz QQSRVZUQPNIWCQ-NSHDSACASA-N 1 0 292.379 1.972 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862427765 830365954 /nfs/dbraw/zinc/36/59/54/830365954.db2.gz GDRGWQLAPSGYGZ-ZDUSSCGKSA-N 1 0 262.353 1.753 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000841656330 830376098 /nfs/dbraw/zinc/37/60/98/830376098.db2.gz ZRNMXMHQQSKNLP-CQSZACIVSA-N 1 0 276.384 1.289 20 10 CDCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000830360737 830726868 /nfs/dbraw/zinc/72/68/68/830726868.db2.gz SOKULXIXVZUVLA-DOMZBBRYSA-N 1 0 275.396 1.610 20 10 CDCDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(Cl)cc1O ZINC000841752323 830732305 /nfs/dbraw/zinc/73/23/05/830732305.db2.gz OHYLUVSSJKGQRY-MRVPVSSYSA-N 1 0 297.742 1.248 20 10 CDCDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000927079491 830787177 /nfs/dbraw/zinc/78/71/77/830787177.db2.gz FEBCAMZLTRRVFO-CMPLNLGQSA-N 1 0 269.316 1.987 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH3+])CCC1 ZINC000841967289 833752745 /nfs/dbraw/zinc/75/27/45/833752745.db2.gz RFHIKSYLDMLUGQ-UHFFFAOYSA-N 1 0 263.341 1.415 20 10 CDCDRO CC[C@]1(O)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000779217689 832073439 /nfs/dbraw/zinc/07/34/39/832073439.db2.gz UXUCSYMMQIADPV-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1ccc(O)c(CN(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000211556369 832093149 /nfs/dbraw/zinc/09/31/49/832093149.db2.gz NROJKVWGPIUTEL-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCN1CCOCC1 ZINC000840913831 832196056 /nfs/dbraw/zinc/19/60/56/832196056.db2.gz JGMHQOMXTITLMZ-UHFFFAOYSA-N 1 0 291.439 1.825 20 10 CDCDRO CN(C)c1ccc(CN2CCC([NH3+])CC2)cc1F ZINC000843047700 832220546 /nfs/dbraw/zinc/22/05/46/832220546.db2.gz WPYNOUHBJBGEGK-UHFFFAOYSA-N 1 0 251.349 1.815 20 10 CDCDRO [NH3+]CCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003566 832224244 /nfs/dbraw/zinc/22/42/44/832224244.db2.gz PIBWXWRQOCYQFA-CQSZACIVSA-N 1 0 292.379 1.639 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000122934706 833817496 /nfs/dbraw/zinc/81/74/96/833817496.db2.gz PHXFBLOSFKOZDI-HNNXBMFYSA-N 1 0 263.337 1.517 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2C)c1O ZINC000843347803 832317697 /nfs/dbraw/zinc/31/76/97/832317697.db2.gz OFOAUKRHSROBPO-SECBINFHSA-N 1 0 266.316 1.528 20 10 CDCDRO Cc1ccc(C[NH2+]C2(CO)CCOCC2)c(O)c1 ZINC000877036565 833825556 /nfs/dbraw/zinc/82/55/56/833825556.db2.gz GJZHLCRKSOTJBZ-UHFFFAOYSA-N 1 0 251.326 1.332 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCSc1nccs1 ZINC000829528010 832385018 /nfs/dbraw/zinc/38/50/18/832385018.db2.gz JBICZLLWQCTRDE-VHSXEESVSA-N 1 0 285.438 1.740 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c(O)c1 ZINC000788532979 832385357 /nfs/dbraw/zinc/38/53/57/832385357.db2.gz BFWXJCPDVFSVGC-XHDPSFHLSA-N 1 0 281.352 1.420 20 10 CDCDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406389 832397577 /nfs/dbraw/zinc/39/75/77/832397577.db2.gz FNNCVGFUGYRFKW-DYVFJYSZSA-N 1 0 290.407 1.915 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1OC ZINC000817412323 832436635 /nfs/dbraw/zinc/43/66/35/832436635.db2.gz IUWLXOPJHSPGMB-NWDGAFQWSA-N 1 0 295.379 1.860 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c1O ZINC000846140145 832449611 /nfs/dbraw/zinc/44/96/11/832449611.db2.gz HKHAOUSXGREETN-OLZOCXBDSA-N 1 0 294.395 1.772 20 10 CDCDRO [O-]c1c(F)cccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841077743 832488121 /nfs/dbraw/zinc/48/81/21/832488121.db2.gz CJWNMZWMIRHBMH-GFCCVEGCSA-N 1 0 250.317 1.763 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000828668229 833880742 /nfs/dbraw/zinc/88/07/42/833880742.db2.gz ZTAZXXOOFVZYJK-RNCFNFMXSA-N 1 0 278.352 1.705 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1c([O-])cccc1F ZINC000886603567 832709332 /nfs/dbraw/zinc/70/93/32/832709332.db2.gz QUBRPJGIPBHDBE-IMSIIYSGSA-N 1 0 269.316 1.722 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000858601362 832720566 /nfs/dbraw/zinc/72/05/66/832720566.db2.gz FRCKROOACIRWLX-PWSUYJOCSA-N 1 0 284.787 1.763 20 10 CDCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCc2cncn2C1 ZINC000830554866 832751601 /nfs/dbraw/zinc/75/16/01/832751601.db2.gz MXWQWMIUXZUIEV-NSHDSACASA-N 1 0 287.319 1.173 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000866684443 832857610 /nfs/dbraw/zinc/85/76/10/832857610.db2.gz YVFBBWXHCXSFBF-UFBFGSQYSA-N 1 0 266.316 1.655 20 10 CDCDRO COc1ccc(N2CCCN(C[C@@H](C)[NH3+])CC2)cc1 ZINC000844221265 832857708 /nfs/dbraw/zinc/85/77/08/832857708.db2.gz BJWDRCZTPGTMGY-CYBMUJFWSA-N 1 0 263.385 1.555 20 10 CDCDRO C[C@H]1C[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849731 832857742 /nfs/dbraw/zinc/85/77/42/832857742.db2.gz VEXMUDIWKGQPST-XJKSGUPXSA-N 1 0 287.407 1.711 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000841928895 832871837 /nfs/dbraw/zinc/87/18/37/832871837.db2.gz DYXXYMONXYTSBJ-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCCCSc1nccs1 ZINC000829527837 832871944 /nfs/dbraw/zinc/87/19/44/832871944.db2.gz HACPPMAHPUAJPA-VIFPVBQESA-N 1 0 285.438 1.882 20 10 CDCDRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(O)c1O ZINC000187115987 832880067 /nfs/dbraw/zinc/88/00/67/832880067.db2.gz PFUOBHDRPVCVDX-UHFFFAOYSA-N 1 0 252.314 1.216 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000724897082 832906855 /nfs/dbraw/zinc/90/68/55/832906855.db2.gz OMKKQLKZBBWSRG-ZKYQVNSYSA-N 1 0 251.326 1.847 20 10 CDCDRO CCCN(CC[NH+](C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779516189 832932738 /nfs/dbraw/zinc/93/27/38/832932738.db2.gz VLCBZGSKKXZCBW-VURMDHGXSA-N 1 0 292.379 1.911 20 10 CDCDRO O=C(C[NH+]1CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000821070747 833483703 /nfs/dbraw/zinc/48/37/03/833483703.db2.gz MARJTJYDESUGPC-UHFFFAOYSA-N 1 0 288.391 1.983 20 10 CDCDRO COCC1(O)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876750402 833614444 /nfs/dbraw/zinc/61/44/44/833614444.db2.gz SPCLMSAAJYMQSA-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO CCCCOC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996968 833773761 /nfs/dbraw/zinc/77/37/61/833773761.db2.gz OBTCJJRMJOFOAN-HNNXBMFYSA-N 1 0 279.380 1.889 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c1 ZINC000857068437 833839511 /nfs/dbraw/zinc/83/95/11/833839511.db2.gz UKNHIBLSVMYZQL-ZYHUDNBSSA-N 1 0 278.352 1.672 20 10 CDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819077187 833866608 /nfs/dbraw/zinc/86/66/08/833866608.db2.gz IXORLVKDFJXKJR-UHFFFAOYSA-N 1 0 279.384 1.561 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000842000536 833875058 /nfs/dbraw/zinc/87/50/58/833875058.db2.gz WWUWQMZSRFETEY-WDEREUQCSA-N 1 0 295.383 1.888 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c1O ZINC000775984590 833876845 /nfs/dbraw/zinc/87/68/45/833876845.db2.gz GZFWCEUIBZBRGC-VXGBXAGGSA-N 1 0 264.369 1.925 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000852834757 834088885 /nfs/dbraw/zinc/08/88/85/834088885.db2.gz ATBYICFSSRTTEQ-OAHLLOKOSA-N 1 0 293.411 1.588 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCO[C@@H]2CCOC2)cc1C ZINC000922938941 834209337 /nfs/dbraw/zinc/20/93/37/834209337.db2.gz YFVXUROCDXQUPY-CQSZACIVSA-N 1 0 265.353 1.904 20 10 CDCDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)ccc1O ZINC000717696524 834233647 /nfs/dbraw/zinc/23/36/47/834233647.db2.gz LKMFGZMWJYBUSA-VIFPVBQESA-N 1 0 267.222 1.934 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNC(=O)C2)c2c1c(F)ccc2O ZINC000840833084 834287197 /nfs/dbraw/zinc/28/71/97/834287197.db2.gz JHBLVTGJTHSOPN-YWVKMMECSA-N 1 0 278.327 1.805 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C=O)CC2)c1 ZINC000827877263 834298600 /nfs/dbraw/zinc/29/86/00/834298600.db2.gz KROLZIUANZXXGN-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000852801823 834324219 /nfs/dbraw/zinc/32/42/19/834324219.db2.gz ARKIQNVWLSBRPR-NDMJEZRESA-N 1 0 278.352 1.705 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000846960191 834369904 /nfs/dbraw/zinc/36/99/04/834369904.db2.gz MVFOSGNPWAMLRL-OLZOCXBDSA-N 1 0 281.327 1.983 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758884 834383485 /nfs/dbraw/zinc/38/34/85/834383485.db2.gz KUJCNJKTBALROG-NEPJUHHUSA-N 1 0 290.411 1.604 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCCCS(C)(=O)=O)cc1C ZINC000818225808 834385465 /nfs/dbraw/zinc/38/54/65/834385465.db2.gz IURXLKBKHQLKRG-UHFFFAOYSA-N 1 0 285.409 1.923 20 10 CDCDRO [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000843122009 834488762 /nfs/dbraw/zinc/48/87/62/834488762.db2.gz MXDDTACINXHECC-AWEZNQCLSA-N 1 0 291.395 1.212 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000883900148 834737633 /nfs/dbraw/zinc/73/76/33/834737633.db2.gz FMJPSTZQVZMMBF-NWDGAFQWSA-N 1 0 277.368 1.847 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000846147758 834815706 /nfs/dbraw/zinc/81/57/06/834815706.db2.gz VTVKUICZBRQFBF-UWVGGRQHSA-N 1 0 264.325 1.282 20 10 CDCDRO CC(C)N1CC[C@H](N2CCCc3cc(C[NH3+])ccc32)C1=O ZINC000843350745 834844856 /nfs/dbraw/zinc/84/48/56/834844856.db2.gz UMDHYKRBQQDFMB-INIZCTEOSA-N 1 0 287.407 1.907 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000828666755 834854369 /nfs/dbraw/zinc/85/43/69/834854369.db2.gz IFMAQEXJKVZNAD-UWVGGRQHSA-N 1 0 278.352 1.719 20 10 CDCDRO CON(C)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000883172455 834864450 /nfs/dbraw/zinc/86/44/50/834864450.db2.gz HNKBNASRVRJODH-UHFFFAOYSA-N 1 0 297.374 1.245 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000844166955 834865929 /nfs/dbraw/zinc/86/59/29/834865929.db2.gz VQSVDXNLZUWTFT-HNNXBMFYSA-N 1 0 291.395 1.137 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH+](C)C)CC2)c1 ZINC000830541087 834867908 /nfs/dbraw/zinc/86/79/08/834867908.db2.gz SAVWEVOPYJAUDB-JTQLQIEISA-N 1 0 278.352 1.672 20 10 CDCDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406739 834870569 /nfs/dbraw/zinc/87/05/69/834870569.db2.gz RRFFMUVKUBCBAB-CYBMUJFWSA-N 1 0 278.396 1.772 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c(O)c1 ZINC000876812273 834873264 /nfs/dbraw/zinc/87/32/64/834873264.db2.gz KNFYWYMMECUVLF-AAEUAGOBSA-N 1 0 251.326 1.282 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCOCCF)c1 ZINC000853091457 834917658 /nfs/dbraw/zinc/91/76/58/834917658.db2.gz JIDAYLQJUQHPGO-UHFFFAOYSA-N 1 0 257.305 1.867 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000709431861 835017277 /nfs/dbraw/zinc/01/72/77/835017277.db2.gz NTTKNOSMOPQAJH-NSHDSACASA-N 1 0 283.393 1.479 20 10 CDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000227975292 835107393 /nfs/dbraw/zinc/10/73/93/835107393.db2.gz XQWFJZXDJQXBPW-IUODEOHRSA-N 1 0 264.369 1.382 20 10 CDCDRO Cc1ccc(C[N@@H+](C)C2(CO)CCOCC2)c(O)c1 ZINC000877644701 835179915 /nfs/dbraw/zinc/17/99/15/835179915.db2.gz QTKWBTRVDXCUCI-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000836251401 835201273 /nfs/dbraw/zinc/20/12/73/835201273.db2.gz VHNJJJAHHWEFMQ-UHFFFAOYSA-N 1 0 292.427 1.892 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c(O)c1 ZINC000877493154 835300116 /nfs/dbraw/zinc/30/01/16/835300116.db2.gz HICZICCLEVNJDM-AAEUAGOBSA-N 1 0 292.379 1.938 20 10 CDCDRO CC(C)[C@@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000829527809 835358435 /nfs/dbraw/zinc/35/84/35/835358435.db2.gz GOUIXCJXWKNGES-SECBINFHSA-N 1 0 273.427 1.725 20 10 CDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984752 835409293 /nfs/dbraw/zinc/40/92/93/835409293.db2.gz GEEYJPVNZDLPRP-UHFFFAOYSA-N 1 0 291.395 1.569 20 10 CDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c1O ZINC000808693999 835428175 /nfs/dbraw/zinc/42/81/75/835428175.db2.gz XHULROOXHYNYJO-ZYHUDNBSSA-N 1 0 286.803 1.927 20 10 CDCDRO Cc1ccc(C[NH2+]CCCC(=O)N(C)C)c(O)c1 ZINC000876979873 835494034 /nfs/dbraw/zinc/49/40/34/835494034.db2.gz SCNBSUMUSSZNFN-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000883403213 835512902 /nfs/dbraw/zinc/51/29/02/835512902.db2.gz MXMKYZDHKLOPLG-LBPRGKRZSA-N 1 0 290.363 1.501 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Cl)ccc1O ZINC000866497290 835528499 /nfs/dbraw/zinc/52/84/99/835528499.db2.gz DQVVIQGYJBESTK-RLCGTCKNSA-N 1 0 271.744 1.846 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090074939 835545136 /nfs/dbraw/zinc/54/51/36/835545136.db2.gz ODLXTGBPYOOFBQ-SMDDNHRTSA-N 1 0 261.369 1.634 20 10 CDCDRO [O-]c1c(Cl)cccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000775746900 835566392 /nfs/dbraw/zinc/56/63/92/835566392.db2.gz HKIBIYJXKQVVAC-QWRGUYRKSA-N 1 0 252.745 1.697 20 10 CDCDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1=CC(=O)CS1 ZINC000854649845 835627714 /nfs/dbraw/zinc/62/77/14/835627714.db2.gz HKWSWQCSWKZNKN-WPRPVWTQSA-N 1 0 254.355 1.618 20 10 CDCDRO Cc1cc(Br)cc(CN2CC[NH2+]CC2)c1O ZINC000258568495 835629156 /nfs/dbraw/zinc/62/91/56/835629156.db2.gz OLJKBUULRBVDDQ-UHFFFAOYSA-N 1 0 285.185 1.868 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H](C)O ZINC000386694456 835634167 /nfs/dbraw/zinc/63/41/67/835634167.db2.gz LDUDWAKFFOJHOK-CZUORRHYSA-N 1 0 278.396 1.772 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001140948208 898960050 /nfs/dbraw/zinc/96/00/50/898960050.db2.gz YHXBFUCTPUQVFV-CABCVRRESA-N 1 0 265.353 1.266 20 10 CDCDRO COc1cc(CN2CC[C@@](C)([NH3+])C2)cc(O)c1O ZINC001204771448 905841051 /nfs/dbraw/zinc/84/10/51/905841051.db2.gz NFJHOTAKXZNQNP-CYBMUJFWSA-N 1 0 252.314 1.030 20 10 CDCDRO CN1CCOc2cc(CN3CC[C@@](C)([NH3+])C3)ccc21 ZINC001204782474 906379744 /nfs/dbraw/zinc/37/97/44/906379744.db2.gz FNHHXMXHBDJNDC-OAHLLOKOSA-N 1 0 261.369 1.438 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CCO1 ZINC001168079533 906747196 /nfs/dbraw/zinc/74/71/96/906747196.db2.gz PSHHFUKKCFHFOH-KOLCDFICSA-N 1 0 267.325 1.503 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCN(C3CC3)C(=O)C2)c1O ZINC001172014161 911102936 /nfs/dbraw/zinc/10/29/36/911102936.db2.gz VAUFVYAAQPKSPR-CYBMUJFWSA-N 1 0 274.364 1.944 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[C@@H]3CCC[NH2+]3)ccc21 ZINC000166477850 911540423 /nfs/dbraw/zinc/54/04/23/911540423.db2.gz IRWIFHNBQSGWQG-HNNXBMFYSA-N 1 0 287.407 1.827 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])CC[C@H]1F ZINC001206163299 911544003 /nfs/dbraw/zinc/54/40/03/911544003.db2.gz BKYJJIYBQUHALP-ZYHUDNBSSA-N 1 0 256.296 1.793 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206185018 912108578 /nfs/dbraw/zinc/10/85/78/912108578.db2.gz KMKQTCALNRBVIR-KBPBESRZSA-N 1 0 281.375 1.719 20 10 CDCDRO COc1cc(C)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001236579971 915688845 /nfs/dbraw/zinc/68/88/45/915688845.db2.gz POYXNYAMWAZHSH-RYUDHWBXSA-N 1 0 264.369 1.891 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2CC3(C2)C[NH+](C)C3)cc1 ZINC001180126577 916167509 /nfs/dbraw/zinc/16/75/09/916167509.db2.gz YNMFAHSHWWMYOR-RMKNXTFCSA-N 1 0 285.391 1.540 20 10 CDCDRO C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000211484190 936354803 /nfs/dbraw/zinc/35/48/03/936354803.db2.gz ILGSPQXEABUMMJ-UHFFFAOYSA-N 1 0 278.352 1.647 20 10 CDCDRO COC[C@@H]1COCCN1Cc1ccc2c(c1)CCCN2C ZINC001138358845 936525969 /nfs/dbraw/zinc/52/59/69/936525969.db2.gz CSNXWPIHJIDDQL-MRXNPFEDSA-N 1 0 290.407 1.916 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247398 919398133 /nfs/dbraw/zinc/39/81/33/919398133.db2.gz GSAALAOGUWLCGJ-HNNXBMFYSA-N 1 0 264.369 1.376 20 10 CDCDRO COc1cc(CN2CCOCC2)cc(C[NH+](C)C)c1O ZINC001139253393 936611705 /nfs/dbraw/zinc/61/17/05/936611705.db2.gz UDGAKCYKEQELKG-UHFFFAOYSA-N 1 0 280.368 1.295 20 10 CDCDRO Oc1ccc(F)cc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001140057821 936675135 /nfs/dbraw/zinc/67/51/35/936675135.db2.gz OSEWGJCHSBQNPO-ZDUSSCGKSA-N 1 0 281.327 1.647 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c1 ZINC001140624293 936732621 /nfs/dbraw/zinc/73/26/21/936732621.db2.gz OZJBRRNZPSVONR-UHFFFAOYSA-N 1 0 274.364 1.945 20 10 CDCDRO [O-]c1cccc(F)c1C[N@H+]1CCc2nncn2CC1 ZINC001137833209 922562801 /nfs/dbraw/zinc/56/28/01/922562801.db2.gz WXYBBEPBUQSJHC-UHFFFAOYSA-N 1 0 262.288 1.181 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC001140947688 936782513 /nfs/dbraw/zinc/78/25/13/936782513.db2.gz ATTQTMRYSHVZTC-UHFFFAOYSA-N 1 0 278.352 1.975 20 10 CDCDRO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145134 936820233 /nfs/dbraw/zinc/82/02/33/936820233.db2.gz QPYZSSOHDJXAFK-AWEZNQCLSA-N 1 0 289.379 1.226 20 10 CDCDRO COCC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156501 936821290 /nfs/dbraw/zinc/82/12/90/936821290.db2.gz YPFMEDZQBBNKIP-UHFFFAOYSA-N 1 0 251.326 1.956 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC001141156932 936821292 /nfs/dbraw/zinc/82/12/92/936821292.db2.gz YEIBJFGUDNUZSK-NSHDSACASA-N 1 0 277.242 1.597 20 10 CDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCS1 ZINC001141162512 936823797 /nfs/dbraw/zinc/82/37/97/936823797.db2.gz VMMZOCPEHMKDPP-CYBMUJFWSA-N 1 0 297.376 1.578 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000840178222 936942451 /nfs/dbraw/zinc/94/24/51/936942451.db2.gz NAPVFFHLPUNJSB-LBPRGKRZSA-N 1 0 292.379 1.619 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](C)CC[C@@H]2C[NH3+])cc1OC ZINC001205842941 925445436 /nfs/dbraw/zinc/44/54/36/925445436.db2.gz QAXSSHGPNCIMNG-DGCLKSJQSA-N 1 0 294.395 1.969 20 10 CDCDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(F)c(F)cc1O ZINC001142525015 937027651 /nfs/dbraw/zinc/02/76/51/937027651.db2.gz TVOCFSBASYJZTI-UWVGGRQHSA-N 1 0 254.280 1.559 20 10 CDCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000829425459 926263563 /nfs/dbraw/zinc/26/35/63/926263563.db2.gz AHCRSMMKRMYFBR-CZUORRHYSA-N 1 0 276.380 1.648 20 10 CDCDRO [NH3+]C[C@@H]1CCCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001206633699 937227910 /nfs/dbraw/zinc/22/79/10/937227910.db2.gz ZLWWYYJJPRLYJK-JTQLQIEISA-N 1 0 266.341 1.364 20 10 CDCDRO CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC001169588520 928240462 /nfs/dbraw/zinc/24/04/62/928240462.db2.gz ZQISXFZBEDKCGG-AWEZNQCLSA-N 1 0 262.353 1.801 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691431579 928419336 /nfs/dbraw/zinc/41/93/36/928419336.db2.gz WOXCOACKDSQJOW-ZETCQYMHSA-N 1 0 287.157 1.508 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(CC2)OCCO3)c(O)c1 ZINC001144504151 931865256 /nfs/dbraw/zinc/86/52/56/931865256.db2.gz NBLPXNYYTJPOSM-UHFFFAOYSA-N 1 0 281.308 1.142 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001144515458 931878942 /nfs/dbraw/zinc/87/89/42/931878942.db2.gz PFGLUBJEUXRJGV-OWUUHHOZSA-N 1 0 253.273 1.451 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCc3cccnc3C2)c(O)c1 ZINC001144515422 931879752 /nfs/dbraw/zinc/87/97/52/931879752.db2.gz OCKZFOGOAQHDNO-UHFFFAOYSA-N 1 0 272.304 1.757 20 10 CDCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118987589 937685071 /nfs/dbraw/zinc/68/50/71/937685071.db2.gz WRHXCODUSZZTAL-CQSZACIVSA-N 1 0 288.338 1.518 20 10 CDCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)C[NH3+] ZINC001157431959 938491407 /nfs/dbraw/zinc/49/14/07/938491407.db2.gz CCHWXBBQWQZNFU-FZMZJTMJSA-N 1 0 291.395 1.035 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(O)c1 ZINC001203620997 939697280 /nfs/dbraw/zinc/69/72/80/939697280.db2.gz MVRSDOZEDGKFRB-PWSUYJOCSA-N 1 0 251.326 1.746 20 10 CDCDRO COc1ccc(C[NH+]2CC([C@H](C)OC)C2)c(O)c1 ZINC001203634859 939699117 /nfs/dbraw/zinc/69/91/17/939699117.db2.gz YQDDVFTYHZJUHK-JTQLQIEISA-N 1 0 251.326 1.868 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001203670980 939700476 /nfs/dbraw/zinc/70/04/76/939700476.db2.gz HHMAMJPMZZQGJM-YPMHNXCESA-N 1 0 285.290 1.867 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c1 ZINC001203672980 939700721 /nfs/dbraw/zinc/70/07/21/939700721.db2.gz IOMMVITUNOKRDG-ZIAGYGMSSA-N 1 0 290.363 1.596 20 10 CDCDRO O=C1NCCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)O1 ZINC001203880337 939710793 /nfs/dbraw/zinc/71/07/93/939710793.db2.gz OINQGSRSUJFCIJ-UHFFFAOYSA-N 1 0 292.335 1.562 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]1C ZINC001203884619 939711839 /nfs/dbraw/zinc/71/18/39/939711839.db2.gz WAKVMDSYERDLAA-ONGXEEELSA-N 1 0 265.309 1.339 20 10 CDCDRO CN1CCC2(C[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1=O ZINC001204329361 939756589 /nfs/dbraw/zinc/75/65/89/939756589.db2.gz NZCAZUPVKQVPFE-UHFFFAOYSA-N 1 0 299.418 1.951 20 10 CDCDRO [NH3+][C@H]1CN(Cc2c(O)ccc(F)c2Cl)C[C@H]1F ZINC001204837196 939796787 /nfs/dbraw/zinc/79/67/87/939796787.db2.gz VMSPKMRWHRCZEV-BDAKNGLRSA-N 1 0 262.687 1.666 20 10 CDCDRO Nc1ccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205788576 939936297 /nfs/dbraw/zinc/93/62/97/939936297.db2.gz PFZNDHVCPFKBNV-NSHDSACASA-N 1 0 255.312 1.685 20 10 CDCDRO CCOc1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206146488 939986779 /nfs/dbraw/zinc/98/67/79/939986779.db2.gz UZZMYNDFRWLBMY-NSHDSACASA-N 1 0 286.322 1.959 20 10 CDCDRO CN1CCCc2cc(CN3CC[C@@](C)([NH3+])C3)ccc21 ZINC000405788715 940997923 /nfs/dbraw/zinc/99/79/23/940997923.db2.gz FCMKLZHOKFRSOA-MRXNPFEDSA-N 1 0 259.397 1.992 20 10 CDCDRO CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001276804601 941340448 /nfs/dbraw/zinc/34/04/48/941340448.db2.gz IPFLOTCNCAILBL-GASCZTMLSA-N 1 0 276.380 1.469 20 10 CDCDRO CCc1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC001276805197 941346381 /nfs/dbraw/zinc/34/63/81/941346381.db2.gz SMWUMAREWLYTHS-HOCLYGCPSA-N 1 0 276.380 1.469 20 10 CDCDRO CC(C)C[C@@](C)([NH3+])C(=O)NCCc1cc(O)c(O)cc1O ZINC001220114914 941414001 /nfs/dbraw/zinc/41/40/01/941414001.db2.gz BOPPRDAWFBYJHM-OAHLLOKOSA-N 1 0 296.367 1.226 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H]4C[C@]43C(N)=O)ccc21 ZINC001277254300 942246157 /nfs/dbraw/zinc/24/61/57/942246157.db2.gz QGOUTUZNVKPDPC-WMLDXEAASA-N 1 0 285.391 1.519 20 10 CDCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@@H](O)CO ZINC001231587305 942936934 /nfs/dbraw/zinc/93/69/34/942936934.db2.gz UDQPIJGKCARIRX-GFCCVEGCSA-N 1 0 261.321 1.330 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(O)cc1O ZINC001231634396 942949120 /nfs/dbraw/zinc/94/91/20/942949120.db2.gz LVJJBRFTBNHOAV-ZYHUDNBSSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@](O)(CF)C2)c(O)cc1O ZINC001231634087 942950274 /nfs/dbraw/zinc/95/02/74/942950274.db2.gz HZGJPSTUTZYPMQ-HNNXBMFYSA-N 1 0 299.342 1.793 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)cc1O ZINC001231634468 942950344 /nfs/dbraw/zinc/95/03/44/942950344.db2.gz NLJWNOFHEPVYGJ-AWEZNQCLSA-N 1 0 267.325 1.311 20 10 CDCDRO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c(O)cc1O ZINC001231637007 942951555 /nfs/dbraw/zinc/95/15/55/942951555.db2.gz CVQFTGUSBSPBHB-AOOOYVTPSA-N 1 0 277.320 1.517 20 10 CDCDRO COc1cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c(O)cc1O ZINC001231638964 942955038 /nfs/dbraw/zinc/95/50/38/942955038.db2.gz JCYDATAYGDYBAM-INIZCTEOSA-N 1 0 292.379 1.634 20 10 CDCDRO Cc1cc(C)c(C[N@@H+](C)CCC(=O)N(C)C)c(O)c1 ZINC001231846497 943025898 /nfs/dbraw/zinc/02/58/98/943025898.db2.gz NAHXGYNVKPGTAU-UHFFFAOYSA-N 1 0 264.369 1.919 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CC(N(C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001231846182 943026222 /nfs/dbraw/zinc/02/62/22/943026222.db2.gz HOAIWFVGYKYHNE-CQSZACIVSA-N 1 0 290.407 1.914 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1c(C)cc(C)cc1O ZINC001231844135 943026768 /nfs/dbraw/zinc/02/67/68/943026768.db2.gz HGLHZNZKFIJQSF-UHFFFAOYSA-N 1 0 250.342 1.706 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC001231854145 943032032 /nfs/dbraw/zinc/03/20/32/943032032.db2.gz ACMPSCKZJBEXEP-AWEZNQCLSA-N 1 0 291.395 1.472 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232258648 943189715 /nfs/dbraw/zinc/18/97/15/943189715.db2.gz BQLHFFGNRKYPKU-VXNVDRBHSA-N 1 0 257.717 1.706 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)Cc2cncnc2)c(O)c1 ZINC001232841963 943417269 /nfs/dbraw/zinc/41/72/69/943417269.db2.gz VQMQTZXFYROCQW-UHFFFAOYSA-N 1 0 272.352 1.880 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCOCC23CC3)c(O)c1 ZINC001232840807 943417575 /nfs/dbraw/zinc/41/75/75/943417575.db2.gz JYVSTUTVYPZHOB-UHFFFAOYSA-N 1 0 262.353 1.823 20 10 CDCDRO Oc1cc(CN2CC[NH+](C3CC3)CC2)cc(O)c1O ZINC001233009832 943460558 /nfs/dbraw/zinc/46/05/58/943460558.db2.gz CZYRHQPDPNKXEA-UHFFFAOYSA-N 1 0 264.325 1.083 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233012535 943461384 /nfs/dbraw/zinc/46/13/84/943461384.db2.gz JQRSCGJTWIAARE-ZDUSSCGKSA-N 1 0 253.298 1.150 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCC[C@@H](O)CC2)cc1O ZINC001233483279 943593140 /nfs/dbraw/zinc/59/31/40/943593140.db2.gz UBMLRZDRIUHQOF-SNVBAGLBSA-N 1 0 253.298 1.150 20 10 CDCDRO Cn1ncc2c1CN(Cc1cc(O)c(O)cc1O)CC2 ZINC001233486160 943594275 /nfs/dbraw/zinc/59/42/75/943594275.db2.gz AZAQTUNFCWBXHY-UHFFFAOYSA-N 1 0 275.308 1.095 20 10 CDCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487328 943595258 /nfs/dbraw/zinc/59/52/58/943595258.db2.gz ZIPNEMZKQUUMAW-LLVKDONJSA-N 1 0 294.351 1.294 20 10 CDCDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N)cc2)C1(C)C ZINC001263303546 943823134 /nfs/dbraw/zinc/82/31/34/943823134.db2.gz ACMXVNCVGDJXQZ-XJKSGUPXSA-N 1 0 291.395 1.418 20 10 CDCDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC001263321294 943829168 /nfs/dbraw/zinc/82/91/68/943829168.db2.gz CDTGNPXABSCKRY-BETUJISGSA-N 1 0 284.363 1.709 20 10 CDCDRO COc1cc(CN2CCCC[C@@]23CC[NH2+]C3)c(O)cc1O ZINC001235120259 944060403 /nfs/dbraw/zinc/06/04/03/944060403.db2.gz UGIXFANYHCYXRR-INIZCTEOSA-N 1 0 292.379 1.824 20 10 CDCDRO COc1cc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994171 944361648 /nfs/dbraw/zinc/36/16/48/944361648.db2.gz SLSJGDGCMQJMHT-NHYWBVRUSA-N 1 0 278.352 1.333 20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(C(C)C)cc1O ZINC001236058630 944395356 /nfs/dbraw/zinc/39/53/56/944395356.db2.gz RZBPUPDNVBJMAK-AWEZNQCLSA-N 1 0 292.379 1.462 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c(O)c1 ZINC001237049836 944647447 /nfs/dbraw/zinc/64/74/47/944647447.db2.gz LSWLRMNHOOJQNU-MRXNPFEDSA-N 1 0 290.363 1.503 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001237485850 944811434 /nfs/dbraw/zinc/81/14/34/944811434.db2.gz UVPDBJSDYUCHGA-AWEZNQCLSA-N 1 0 251.326 1.284 20 10 CDCDRO O=C1C[C@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)C[C@H]2C1 ZINC001254913759 947651434 /nfs/dbraw/zinc/65/14/34/947651434.db2.gz GIDNROBMUJWGLB-LGSVPQMISA-N 1 0 291.347 1.479 20 10 CDCDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3ccc(O)cc3O)C[C@H]2C1 ZINC001254923166 947654238 /nfs/dbraw/zinc/65/42/38/947654238.db2.gz BGNWYELXLABSMP-GDNZZTSVSA-N 1 0 261.321 1.945 20 10 CDCDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001255523884 947963054 /nfs/dbraw/zinc/96/30/54/947963054.db2.gz LBUWEEMLPZVFGL-SMDDNHRTSA-N 1 0 281.352 1.678 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC001249173661 949443703 /nfs/dbraw/zinc/44/37/03/949443703.db2.gz UUXBISHRSBPJBI-ZWNOBZJWSA-N 1 0 279.336 1.063 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)c(O)c1 ZINC001249172104 949443875 /nfs/dbraw/zinc/44/38/75/949443875.db2.gz IYEXEKDFWGYMNB-NSHDSACASA-N 1 0 279.336 1.328 20 10 CDCDRO Oc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2)c1O ZINC001251247558 950677187 /nfs/dbraw/zinc/67/71/87/950677187.db2.gz IJOCCSJSNATIHD-CYBMUJFWSA-N 1 0 289.331 1.627 20 10 CDCDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(N)cc1 ZINC001336286543 955402034 /nfs/dbraw/zinc/40/20/34/955402034.db2.gz RPNYTTYJOYLOCS-INIZCTEOSA-N 1 0 296.411 1.503 20 10 CDCDRO Cc1n[nH]c(CC[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC001329007981 955619340 /nfs/dbraw/zinc/61/93/40/955619340.db2.gz FEHKHIJLPKIXPL-UHFFFAOYSA-N 1 0 295.337 1.790 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC001308657325 956559440 /nfs/dbraw/zinc/55/94/40/956559440.db2.gz RXQGBISVGABUNB-JTQLQIEISA-N 1 0 264.325 1.016 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[NH2+]C(C)(C)C ZINC001318811318 958272901 /nfs/dbraw/zinc/27/29/01/958272901.db2.gz HRBFKQKRWUUTOP-UHFFFAOYSA-N 1 0 291.395 1.866 20 10 CDCDRO C=CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001335323606 959709617 /nfs/dbraw/zinc/70/96/17/959709617.db2.gz GXVLFKSCHBBUNG-CQSZACIVSA-N 1 0 261.369 1.658 20 10 CDCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC001336906400 960726979 /nfs/dbraw/zinc/72/69/79/960726979.db2.gz MEODTMZHZGTAHL-HNNXBMFYSA-N 1 0 290.411 1.643 20 10 CDCDRO O=C(CC[NH2+]C1CC1)NCc1c(O)cccc1F ZINC001341762993 963533429 /nfs/dbraw/zinc/53/34/29/963533429.db2.gz FNNFZPSNYVATKQ-UHFFFAOYSA-N 1 0 252.289 1.290 20 10 CDCDRO CCC(=O)N1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001356083108 969329345 /nfs/dbraw/zinc/32/93/45/969329345.db2.gz KBEJPAWKHXGCTR-UHFFFAOYSA-N 1 0 261.369 1.713 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])N(C)C)C2)cc1 ZINC000849043395 969428893 /nfs/dbraw/zinc/42/88/93/969428893.db2.gz BMQJIZFRLXKIEQ-GFCCVEGCSA-N 1 0 276.384 1.607 20 10 CDCDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(N)cc1 ZINC001577336847 1171645718 /nfs/dbraw/zinc/64/57/18/1171645718.db2.gz XXZCTNZMBGFTFX-GFCCVEGCSA-N 1 0 263.385 1.911 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2CCCNC2=O)c(O)c1 ZINC000295036566 199313788 /nfs/dbraw/zinc/31/37/88/199313788.db2.gz MFBTYUZDGWCBIH-ZDUSSCGKSA-N 1 0 278.352 1.549 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COCCOC ZINC000295086301 199337222 /nfs/dbraw/zinc/33/72/22/199337222.db2.gz RRPQKKQPVWATHX-OAHLLOKOSA-N 1 0 297.395 1.628 20 10 CDCDRO CC[C@H](CO)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298545681 356888176 /nfs/dbraw/zinc/88/81/76/356888176.db2.gz YBMGVNOIPOKWCD-CQSZACIVSA-N 1 0 293.411 1.072 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000037751859 356924969 /nfs/dbraw/zinc/92/49/69/356924969.db2.gz SLQXYFPUUZSARD-LLVKDONJSA-N 1 0 250.342 1.830 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000179587389 357214560 /nfs/dbraw/zinc/21/45/60/357214560.db2.gz PBHNBIBGMCHBKH-UHFFFAOYSA-N 1 0 272.352 1.896 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(O)C2)cc1OC ZINC000180634224 357278637 /nfs/dbraw/zinc/27/86/37/357278637.db2.gz OKRCYRHCTOHPMZ-AWEZNQCLSA-N 1 0 267.325 1.366 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191727402 358149737 /nfs/dbraw/zinc/14/97/37/358149737.db2.gz BUZHIBKXPOALQJ-PWSUYJOCSA-N 1 0 251.326 1.461 20 10 CDCDRO C[N@H+](CCn1cccn1)Cc1cc2c(cc1O)OCO2 ZINC000111169200 359188013 /nfs/dbraw/zinc/18/80/13/359188013.db2.gz GFAXZBOFJZKGCV-UHFFFAOYSA-N 1 0 275.308 1.449 20 10 CDCDRO COCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000111236043 359197073 /nfs/dbraw/zinc/19/70/73/359197073.db2.gz YQZGAGYJZYJTPA-LBPRGKRZSA-N 1 0 280.368 1.365 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C(C)(C)[NH3+])CC2)cc1F ZINC000237280120 359547656 /nfs/dbraw/zinc/54/76/56/359547656.db2.gz ROSSCDNIFHNUAD-UHFFFAOYSA-N 1 0 295.358 1.220 20 10 CDCDRO C[N@H+](CC(=O)NC[C@H]1CCCO1)Cc1ccccc1O ZINC000269604952 364260790 /nfs/dbraw/zinc/26/07/90/364260790.db2.gz BQJXARUCWPBVDD-CYBMUJFWSA-N 1 0 278.352 1.119 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000269998595 364416131 /nfs/dbraw/zinc/41/61/31/364416131.db2.gz QWEITKLCVWTUEX-AWEZNQCLSA-N 1 0 267.325 1.032 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000271828033 365001517 /nfs/dbraw/zinc/00/15/17/365001517.db2.gz OHOUSUNVVNVJRG-OAHLLOKOSA-N 1 0 299.367 1.287 20 10 CDCDRO Cc1ccc(O)c(CN2CCN(C(C)C)C(=O)C2)c1 ZINC000272515368 365271587 /nfs/dbraw/zinc/27/15/87/365271587.db2.gz JYTXXCOFVXJQIN-UHFFFAOYSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1 ZINC000273489338 365500604 /nfs/dbraw/zinc/50/06/04/365500604.db2.gz NXJWIYMFYQTZIA-IINYFYTJSA-N 1 0 291.351 1.519 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1 ZINC000273489336 365500933 /nfs/dbraw/zinc/50/09/33/365500933.db2.gz NXJWIYMFYQTZIA-HZMBPMFUSA-N 1 0 291.351 1.519 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000375556601 370862518 /nfs/dbraw/zinc/86/25/18/370862518.db2.gz HSIFLLICEXESHG-HNNXBMFYSA-N 1 0 276.336 1.775 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cccc(C)c1O ZINC000282401118 367867660 /nfs/dbraw/zinc/86/76/60/367867660.db2.gz CQJREXSSRNIRGE-UHFFFAOYSA-N 1 0 253.342 1.531 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000282616321 367961477 /nfs/dbraw/zinc/96/14/77/367961477.db2.gz LRRFDPMTLXQGOJ-OAHLLOKOSA-N 1 0 291.395 1.123 20 10 CDCDRO COc1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1C ZINC000273468949 371165253 /nfs/dbraw/zinc/16/52/53/371165253.db2.gz IVXQPMAYVOAWPD-CQSZACIVSA-N 1 0 251.326 1.245 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CC(=O)N2CCC2)C2CC2)cc1 ZINC000298724878 372259196 /nfs/dbraw/zinc/25/91/96/372259196.db2.gz PVYODRFPIKQUHG-UHFFFAOYSA-N 1 0 287.407 1.949 20 10 CDCDRO C[S@@](=O)C1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000281931686 390972421 /nfs/dbraw/zinc/97/24/21/390972421.db2.gz ZXLXZNFXICHUCP-GOSISDBHSA-N 1 0 271.357 1.922 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C)C1=O ZINC000174372165 391121672 /nfs/dbraw/zinc/12/16/72/391121672.db2.gz TVAAADMGHAVHCZ-ZDUSSCGKSA-N 1 0 262.353 1.835 20 10 CDCDRO O=C1C[N@@H+](Cc2ccccc2O)[C@H]2CCCC[C@@H]2N1 ZINC000179565376 391211426 /nfs/dbraw/zinc/21/14/26/391211426.db2.gz YWEYGBVSNFBVEF-STQMWFEESA-N 1 0 260.337 1.635 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000188493728 391458562 /nfs/dbraw/zinc/45/85/62/391458562.db2.gz ZMDHZMVAPXCFIY-SECBINFHSA-N 1 0 280.324 1.077 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)ccc21 ZINC000372449185 391853144 /nfs/dbraw/zinc/85/31/44/391853144.db2.gz YECCAPQAUZDIOE-QAPCUYQASA-N 1 0 299.418 1.685 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000172507315 391854732 /nfs/dbraw/zinc/85/47/32/391854732.db2.gz PNFLGFVMYKRWJT-LLVKDONJSA-N 1 0 278.352 1.504 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000035225046 172069506 /nfs/dbraw/zinc/06/95/06/172069506.db2.gz PKLYSWDDNWEOBR-CQSZACIVSA-N 1 0 261.369 1.511 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060296 174070526 /nfs/dbraw/zinc/07/05/26/174070526.db2.gz REUJDEVGAMGEQX-CMPLNLGQSA-N 1 0 267.325 1.467 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCOC1)OCO2 ZINC000042880300 174901745 /nfs/dbraw/zinc/90/17/45/174901745.db2.gz PMPWPKAMRDFHCZ-SNVBAGLBSA-N 1 0 265.309 1.637 20 10 CDCDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000128310382 260374151 /nfs/dbraw/zinc/37/41/51/260374151.db2.gz VREOYWROIPXGRA-LBPRGKRZSA-N 1 0 275.396 1.929 20 10 CDCDRO CCN(CC)c1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131560411 260406943 /nfs/dbraw/zinc/40/69/43/260406943.db2.gz KZSWHXFOFLASEY-QGZVFWFLSA-N 1 0 293.455 1.935 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000157199919 261142383 /nfs/dbraw/zinc/14/23/83/261142383.db2.gz INMQNRWMHBIYLW-JTQLQIEISA-N 1 0 264.325 1.098 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000161978912 261264732 /nfs/dbraw/zinc/26/47/32/261264732.db2.gz WNCWNKZIJBORNL-CQSZACIVSA-N 1 0 261.369 1.592 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000185781177 262070516 /nfs/dbraw/zinc/07/05/16/262070516.db2.gz UFRWNLINKPPRSO-GFCCVEGCSA-N 1 0 264.325 1.713 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000274934251 263031737 /nfs/dbraw/zinc/03/17/37/263031737.db2.gz OZUGCYYHUPHURV-UHFFFAOYSA-N 1 0 284.363 1.394 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1C ZINC000278566674 263049040 /nfs/dbraw/zinc/04/90/40/263049040.db2.gz DCMAWTIOJARLPY-SWLSCSKDSA-N 1 0 265.353 1.639 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1)OCO2 ZINC000188797504 264250459 /nfs/dbraw/zinc/25/04/59/264250459.db2.gz OTNZEVLVQHBULE-MWLCHTKSSA-N 1 0 265.309 1.372 20 10 CDCDRO CCC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000367528690 267097359 /nfs/dbraw/zinc/09/73/59/267097359.db2.gz IBSHJMPBDHOWBH-UHFFFAOYSA-N 1 0 262.353 1.837 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000371326973 267390593 /nfs/dbraw/zinc/39/05/93/267390593.db2.gz LABQXJVSKQDJTL-WBVHZDCISA-N 1 0 290.407 1.732 20 10 CDCDRO C[C@]1(CO)C[N@@H+](Cc2cc(F)ccc2O)C[C@@]1(C)CO ZINC000529668187 281350988 /nfs/dbraw/zinc/35/09/88/281350988.db2.gz GCIVRXJPSREIFD-GASCZTMLSA-N 1 0 283.343 1.344 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000264948790 328163491 /nfs/dbraw/zinc/16/34/91/328163491.db2.gz JUKWCAVBDCLLDC-AWEZNQCLSA-N 1 0 264.369 1.511 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1 ZINC000263774878 327518888 /nfs/dbraw/zinc/51/88/88/327518888.db2.gz UHKJVYCQXWCNFY-AWEZNQCLSA-N 1 0 275.396 1.853 20 10 CDCDRO Cc1ccc(O)c(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000128120742 329605073 /nfs/dbraw/zinc/60/50/73/329605073.db2.gz FJDXOKULQRFYKO-AWEZNQCLSA-N 1 0 264.369 1.463 20 10 CDCDRO C[C@H]([NH2+]Cc1ccccc1O)C(=O)NC(C)(C)C ZINC000134230474 329658162 /nfs/dbraw/zinc/65/81/62/329658162.db2.gz INQNTVIBFMCWHM-JTQLQIEISA-N 1 0 250.342 1.785 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248616731 329895960 /nfs/dbraw/zinc/89/59/60/329895960.db2.gz MACXUUNCOTUAPG-UBHSHLNASA-N 1 0 259.353 1.007 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000228064959 333294106 /nfs/dbraw/zinc/29/41/06/333294106.db2.gz VQDLSILAAOKLPF-RWSFTLGLSA-N 1 0 281.352 1.591 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)C)cc1F ZINC000051415149 1159341362 /nfs/dbraw/zinc/34/13/62/1159341362.db2.gz VBDKHNMNZOPYBQ-UHFFFAOYSA-N 1 0 281.375 1.896 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCN(CCF)CC2)c1O ZINC001140749072 1159418293 /nfs/dbraw/zinc/41/82/93/1159418293.db2.gz PZYIFQSFZGSZEW-UHFFFAOYSA-N 1 0 268.332 1.493 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186813676 520175522 /nfs/dbraw/zinc/17/55/22/520175522.db2.gz YLDXAUAVBLAFIA-LLVKDONJSA-N 1 0 250.342 1.830 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085369284 1161984405 /nfs/dbraw/zinc/98/44/05/1161984405.db2.gz IAVPRLDKVDSUPT-OLZOCXBDSA-N 1 0 262.353 1.868 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000236712056 520403992 /nfs/dbraw/zinc/40/39/92/520403992.db2.gz QXJWOHPHQCCHRZ-UHFFFAOYSA-N 1 0 263.385 1.659 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)[C@H](C)CO)c1O ZINC000292740796 521334422 /nfs/dbraw/zinc/33/44/22/521334422.db2.gz HIDQQASSDXQTRJ-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(O)CC(OCC)C2)c1O ZINC000277791807 521362752 /nfs/dbraw/zinc/36/27/52/521362752.db2.gz WJRUFVPQLBTISW-UHFFFAOYSA-N 1 0 295.379 1.811 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000280350254 522179492 /nfs/dbraw/zinc/17/94/92/522179492.db2.gz STQIAAFUKJVVSX-OAHLLOKOSA-N 1 0 261.369 1.450 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000278614189 522183506 /nfs/dbraw/zinc/18/35/06/522183506.db2.gz MAZDZRJPBGIRQN-UHFFFAOYSA-N 1 0 287.407 1.997 20 10 CDCDRO COC[C@@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045658155 522203690 /nfs/dbraw/zinc/20/36/90/522203690.db2.gz NKCQJZXHDKZLJK-VIFPVBQESA-N 1 0 253.298 1.493 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1F ZINC000280335440 522208904 /nfs/dbraw/zinc/20/89/04/522208904.db2.gz QSYYPVJJOSAQIS-UONOGXRCSA-N 1 0 296.386 1.626 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCC[NH3+] ZINC000237101430 522252244 /nfs/dbraw/zinc/25/22/44/522252244.db2.gz FLLWBCPWJWNRHI-UHFFFAOYSA-N 1 0 263.341 1.217 20 10 CDCDRO COc1cc(O)c(CN(C)CC[NH+](C)C)cc1OC ZINC000289921613 522768800 /nfs/dbraw/zinc/76/88/00/522768800.db2.gz VUIWGRQIJAKGJA-UHFFFAOYSA-N 1 0 268.357 1.403 20 10 CDCDRO COCC1(C(=O)N(C)Cc2ccccc2O)CC[NH2+]CC1 ZINC000234628498 522832586 /nfs/dbraw/zinc/83/25/86/522832586.db2.gz AKPBOUISJGYHND-UHFFFAOYSA-N 1 0 292.379 1.367 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@]3(F)CC[NH2+]C3)ccc21 ZINC000366329765 523861929 /nfs/dbraw/zinc/86/19/29/523861929.db2.gz PJOYCUOBPMJQNT-MRXNPFEDSA-N 1 0 291.370 1.387 20 10 CDCDRO CN(C)C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000070758264 523985066 /nfs/dbraw/zinc/98/50/66/523985066.db2.gz RJHRNWSYWRNSAR-UHFFFAOYSA-N 1 0 291.395 1.043 20 10 CDCDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccccc2O)C1 ZINC000299500443 524089794 /nfs/dbraw/zinc/08/97/94/524089794.db2.gz LQAUSYOBSQYMEF-ZDUSSCGKSA-N 1 0 291.395 1.923 20 10 CDCDRO C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H](C)[NH3+] ZINC000192124463 524132812 /nfs/dbraw/zinc/13/28/12/524132812.db2.gz DFQBCRJBBXOKLG-MNOVXSKESA-N 1 0 277.368 1.461 20 10 CDCDRO CS(=O)(=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000037740658 525126081 /nfs/dbraw/zinc/12/60/81/525126081.db2.gz QMALQUWLJCWVRZ-UHFFFAOYSA-N 1 0 296.436 1.811 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000292478418 525349594 /nfs/dbraw/zinc/34/95/94/525349594.db2.gz AOYAUVCVYAJGCJ-OLZOCXBDSA-N 1 0 251.326 1.330 20 10 CDCDRO COc1cccc(C[N@H+](CCO)C2CCC2)c1O ZINC000275978377 525922149 /nfs/dbraw/zinc/92/21/49/525922149.db2.gz LWQYCOXMMSHPLM-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1cccc(C[NH2+][C@@]2(CCO)CCOC2)c1O ZINC000278544496 526033739 /nfs/dbraw/zinc/03/37/39/526033739.db2.gz YAGQELGBCMYQOO-AWEZNQCLSA-N 1 0 267.325 1.032 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])cc1C ZINC001600286076 1174438700 /nfs/dbraw/zinc/43/87/00/1174438700.db2.gz JVNDUYKFNJIAJX-ZDUSSCGKSA-N 1 0 278.352 1.258 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000732289057 575087087 /nfs/dbraw/zinc/08/70/87/575087087.db2.gz KCHSRGOZQXIVOT-RYUDHWBXSA-N 1 0 296.392 1.125 20 10 CDCDRO Cn1cccc1CNC(=S)NC1CC[NH+](C)CC1 ZINC000743061013 576625556 /nfs/dbraw/zinc/62/55/56/576625556.db2.gz DNYVBEYJBCCDNZ-UHFFFAOYSA-N 1 0 266.414 1.083 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1ccccc1O ZINC000770510104 575458140 /nfs/dbraw/zinc/45/81/40/575458140.db2.gz JHAMETNBJJJQJW-UHFFFAOYSA-N 1 0 267.325 1.404 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000765799991 576057344 /nfs/dbraw/zinc/05/73/44/576057344.db2.gz ZYPKEWBHKGPNFV-LSDHHAIUSA-N 1 0 275.396 1.757 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(OC)c(C)c2)CCOC1 ZINC000766469115 576104997 /nfs/dbraw/zinc/10/49/97/576104997.db2.gz NQNZFFKYQJUQKQ-MRXNPFEDSA-N 1 0 293.363 1.815 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000768842891 576312424 /nfs/dbraw/zinc/31/24/24/576312424.db2.gz ZBDUAKMZBYWRLS-GFCCVEGCSA-N 1 0 291.347 1.935 20 10 CDCDRO OC[C@@H](CC1CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000754835033 576917879 /nfs/dbraw/zinc/91/78/79/576917879.db2.gz RMOFYTHNFDMFIN-LLVKDONJSA-N 1 0 265.309 1.372 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]CCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756505665 576992555 /nfs/dbraw/zinc/99/25/55/576992555.db2.gz VDKZSKKQMFTGRT-SCZZXKLOSA-N 1 0 287.356 1.714 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c(O)c1C ZINC000756662270 576999139 /nfs/dbraw/zinc/99/91/39/576999139.db2.gz ZNHIRPAPSPTUMK-ONGXEEELSA-N 1 0 250.342 1.924 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)cc1 ZINC000840834620 617442742 /nfs/dbraw/zinc/44/27/42/617442742.db2.gz XTJXSUJEEQFRPQ-OLZOCXBDSA-N 1 0 275.396 1.929 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000840882311 617517331 /nfs/dbraw/zinc/51/73/31/617517331.db2.gz IQFZQFMGTZIPNU-LLVKDONJSA-N 1 0 283.393 1.928 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)CC(C)C)c(O)c1OC ZINC000892669030 617575656 /nfs/dbraw/zinc/57/56/56/617575656.db2.gz OORFMWDRVXYDTM-LBPRGKRZSA-N 1 0 283.368 1.906 20 10 CDCDRO c1cc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc2c1OCC2 ZINC000044687434 617583849 /nfs/dbraw/zinc/58/38/49/617583849.db2.gz DFXPGFUUHDVAMS-CQSZACIVSA-N 1 0 258.365 1.948 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1O ZINC000840975341 617961483 /nfs/dbraw/zinc/96/14/83/617961483.db2.gz NIHIBYALHUKRDC-CABZTGNLSA-N 1 0 271.744 1.221 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)OC)c(O)c1OC ZINC000893911968 618168834 /nfs/dbraw/zinc/16/88/34/618168834.db2.gz XIGQYZYEABROPE-SECBINFHSA-N 1 0 255.314 1.534 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CC(C)(CO)CO)c1O ZINC000894033923 618252164 /nfs/dbraw/zinc/25/21/64/618252164.db2.gz JSHMFIATOJLHHT-UHFFFAOYSA-N 1 0 283.368 1.132 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1O ZINC000894285577 618473877 /nfs/dbraw/zinc/47/38/77/618473877.db2.gz VFXIHCBTYUDLEX-GFCCVEGCSA-N 1 0 278.352 1.420 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C[NH3+] ZINC000841100536 618682167 /nfs/dbraw/zinc/68/21/67/618682167.db2.gz HCLNCBUIHSIMGI-PWSUYJOCSA-N 1 0 252.333 1.948 20 10 CDCDRO CCOc1ccc(O)c(CN2CCCO[C@@H](C[NH3+])C2)c1 ZINC000841101197 618683355 /nfs/dbraw/zinc/68/33/55/618683355.db2.gz RMAHHCZQDWEEJN-AWEZNQCLSA-N 1 0 280.368 1.341 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000894197548 618686313 /nfs/dbraw/zinc/68/63/13/618686313.db2.gz VQFBFYCIQYZOQI-LBPRGKRZSA-N 1 0 292.379 1.810 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000894201147 618693577 /nfs/dbraw/zinc/69/35/77/618693577.db2.gz WTLUXYSYOIOPDO-JTQLQIEISA-N 1 0 279.258 1.722 20 10 CDCDRO Cc1c[nH]cc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298506 618701606 /nfs/dbraw/zinc/70/16/06/618701606.db2.gz NUKCNFTYJJZHHE-HNNXBMFYSA-N 1 0 286.379 1.819 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCNC2=O)c1O ZINC000894210305 618723819 /nfs/dbraw/zinc/72/38/19/618723819.db2.gz DMOYGWUTULBCMB-NSHDSACASA-N 1 0 264.325 1.077 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)NCCCSc1nccs1 ZINC000841855914 618760257 /nfs/dbraw/zinc/76/02/57/618760257.db2.gz DERGQXFBHLSWLG-MRVPVSSYSA-N 1 0 274.415 1.272 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)C2CC(O)C2)c1O ZINC000894461871 618900469 /nfs/dbraw/zinc/90/04/69/618900469.db2.gz KTMLWFFCFCWHTB-UHFFFAOYSA-N 1 0 251.326 1.664 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894461577 618900558 /nfs/dbraw/zinc/90/05/58/618900558.db2.gz IEYXKZIJCXDXJI-UKRRQHHQSA-N 1 0 295.379 1.993 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2cc(C)cc(OC)c2O)CCOC1 ZINC000894578861 618964743 /nfs/dbraw/zinc/96/47/43/618964743.db2.gz WDCFEZOAGOYMDN-MRXNPFEDSA-N 1 0 295.379 1.994 20 10 CDCDRO COc1ccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(O)c1OC ZINC000894640216 619001367 /nfs/dbraw/zinc/00/13/67/619001367.db2.gz YUBKCYCPCRIXMP-TXEJJXNPSA-N 1 0 294.395 1.934 20 10 CDCDRO COc1ccc(C[NH2+]C/C=C\CO)c(O)c1OC ZINC000895336175 619579209 /nfs/dbraw/zinc/57/92/09/619579209.db2.gz GGBNQUPLOVUYRB-ARJAWSKDSA-N 1 0 253.298 1.048 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1c(O)cccc1OC ZINC000897709301 621081440 /nfs/dbraw/zinc/08/14/40/621081440.db2.gz ADYSZSGOASWPAZ-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc(C)cc(OC)c1O ZINC000897710110 621082668 /nfs/dbraw/zinc/08/26/68/621082668.db2.gz YIVCDMDEZHDPEA-UHFFFAOYSA-N 1 0 280.368 1.667 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1OCCO1)OCO2 ZINC000902623178 625044912 /nfs/dbraw/zinc/04/49/12/625044912.db2.gz VGXNBUAIQMLHSF-LLVKDONJSA-N 1 0 293.319 1.458 20 10 CDCDRO O=C(CNc1cnc2c(c1)C[NH2+]CC2)c1ccc(O)c(O)c1 ZINC001170314567 1162335087 /nfs/dbraw/zinc/33/50/87/1162335087.db2.gz DQVPHUWMTKWPPO-UHFFFAOYSA-N 1 0 299.330 1.433 20 10 CDCDRO COc1cccc(N)c1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170570838 1162957384 /nfs/dbraw/zinc/95/73/84/1162957384.db2.gz LNOCXNRIHPIUEK-CABZTGNLSA-N 1 0 251.330 1.066 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[NH2+][C@@H]1C)c1ccc(N(C)C)cc1 ZINC001576213386 1171362521 /nfs/dbraw/zinc/36/25/21/1171362521.db2.gz YXZACAUJXDBGSL-ZOWXZIJZSA-N 1 0 290.411 1.863 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)NCc1c(O)cccc1F ZINC001578238944 1171846122 /nfs/dbraw/zinc/84/61/22/1171846122.db2.gz MKWPQDOMXTVFOM-NEPJUHHUSA-N 1 0 281.331 1.471 20 10 CDCDRO Cc1cc(O)c(CN2CCN(C)C[C@@H]2C[NH3+])cc1Cl ZINC001579637886 1172231802 /nfs/dbraw/zinc/23/18/02/1172231802.db2.gz GKYCMXHAKOVCOP-LBPRGKRZSA-N 1 0 283.803 1.429 20 10 CDCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC000019965218 1172587496 /nfs/dbraw/zinc/58/74/96/1172587496.db2.gz CASWUGJRTTUTIK-UHFFFAOYSA-N 1 0 294.351 1.808 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(O)CCOC1 ZINC000230669450 1178155707 /nfs/dbraw/zinc/15/57/07/1178155707.db2.gz WZHLHSKQORVMIY-HSMVNMDESA-N 1 0 277.364 1.990 20 10 CDCDRO COc1ccc(CNC[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000702641464 837393646 /nfs/dbraw/zinc/39/36/46/837393646.db2.gz MMMZQYKSBOEZEQ-OAHLLOKOSA-N 1 0 264.369 1.160 20 10 CDCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000831971066 837413007 /nfs/dbraw/zinc/41/30/07/837413007.db2.gz QLHKNKRSWXTALI-GFCCVEGCSA-N 1 0 261.369 1.412 20 10 CDCDRO Nc1ccc(CCNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000841923348 837711745 /nfs/dbraw/zinc/71/17/45/837711745.db2.gz DFBQHEUCDCOUDK-ZDUSSCGKSA-N 1 0 276.384 1.110 20 10 CDCDRO COc1cc(O)c(C[NH2+]Cc2ccc[nH]c2=O)cc1OC ZINC000862536351 837832638 /nfs/dbraw/zinc/83/26/38/837832638.db2.gz JSARSJYIEAOIQC-UHFFFAOYSA-N 1 0 290.319 1.800 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000886228993 835754270 /nfs/dbraw/zinc/75/42/70/835754270.db2.gz JERBQJNHKNTBGZ-STQMWFEESA-N 1 0 281.352 1.420 20 10 CDCDRO Cc1nonc1CNCc1cc(F)cc(F)c1[O-] ZINC000883203393 835760026 /nfs/dbraw/zinc/76/00/26/835760026.db2.gz AVTBLWMOBLFMDM-UHFFFAOYSA-N 1 0 255.224 1.652 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000846146645 835761485 /nfs/dbraw/zinc/76/14/85/835761485.db2.gz RTLRMCAUKUKLPZ-QWHCGFSZSA-N 1 0 293.411 1.297 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000846165466 835767002 /nfs/dbraw/zinc/76/70/02/835767002.db2.gz MSYWKVYSUOLLNA-UWVGGRQHSA-N 1 0 266.341 1.528 20 10 CDCDRO CN1CCCc2cc(CNC(=O)N[C@H]3CC[NH2+]C3)ccc21 ZINC000841760693 835802433 /nfs/dbraw/zinc/80/24/33/835802433.db2.gz YLEOXXFAFORDSM-AWEZNQCLSA-N 1 0 288.395 1.230 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000382571317 835803324 /nfs/dbraw/zinc/80/33/24/835803324.db2.gz QNGXDAMOJWJNHY-RNCFNFMXSA-N 1 0 257.305 1.579 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)c(O)c1 ZINC000877596679 835823257 /nfs/dbraw/zinc/82/32/57/835823257.db2.gz PXXYXOKUQDTPHE-LBPRGKRZSA-N 1 0 273.340 1.182 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000788270870 835840067 /nfs/dbraw/zinc/84/00/67/835840067.db2.gz UPYKLCCRVYYTIV-PWSUYJOCSA-N 1 0 252.333 1.847 20 10 CDCDRO Cc1cc(C)c(O)c(CN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000164368355 835888008 /nfs/dbraw/zinc/88/80/08/835888008.db2.gz XOPCZCDPLDIQNG-UHFFFAOYSA-N 1 0 292.423 1.898 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000841059164 835888980 /nfs/dbraw/zinc/88/89/80/835888980.db2.gz ZZFURLNAFYKLOL-WDEREUQCSA-N 1 0 295.339 1.669 20 10 CDCDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877074733 835959555 /nfs/dbraw/zinc/95/95/55/835959555.db2.gz REEYSBNZCUAJMJ-QGZVFWFLSA-N 1 0 292.423 1.754 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000182557854 836026807 /nfs/dbraw/zinc/02/68/07/836026807.db2.gz PRFAPCZIIGCITO-ZDUSSCGKSA-N 1 0 269.366 1.358 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000930160588 836151265 /nfs/dbraw/zinc/15/12/65/836151265.db2.gz SCMVVLNQQAIOPP-XJKSGUPXSA-N 1 0 276.380 1.336 20 10 CDCDRO CN(C)c1ccc([C@H](N)C[NH2+]CC2=CCCOC2)cc1 ZINC000863642061 836194823 /nfs/dbraw/zinc/19/48/23/836194823.db2.gz PPJBIVQQMYWBOK-MRXNPFEDSA-N 1 0 275.396 1.689 20 10 CDCDRO COc1ccc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889305 836313330 /nfs/dbraw/zinc/31/33/30/836313330.db2.gz GCXRXIRVLMQFKX-CQSZACIVSA-N 1 0 275.396 1.427 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCNC2=O)cc1C ZINC000886324586 836319145 /nfs/dbraw/zinc/31/91/45/836319145.db2.gz ZRRMJOAESOMXAB-UHFFFAOYSA-N 1 0 263.341 1.118 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000848907592 836339895 /nfs/dbraw/zinc/33/98/95/836339895.db2.gz FYQDRVDFGFKEGJ-GJZGRUSLSA-N 1 0 279.380 1.689 20 10 CDCDRO COC[C@@]1(CN[C@H](C)c2ccc(F)cc2O)CCC[NH2+]1 ZINC000817973007 836359155 /nfs/dbraw/zinc/35/91/55/836359155.db2.gz BAYOTWRREKIORA-ABAIWWIYSA-N 1 0 282.359 1.951 20 10 CDCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121179 836404352 /nfs/dbraw/zinc/40/43/52/836404352.db2.gz AYHQVUNDQLCPPN-STQMWFEESA-N 1 0 278.396 1.507 20 10 CDCDRO Cc1ncoc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267047 836443890 /nfs/dbraw/zinc/44/38/90/836443890.db2.gz LVJMXSVHDVAJIK-ZDUSSCGKSA-N 1 0 288.351 1.479 20 10 CDCDRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccccc1O ZINC000886229554 836497725 /nfs/dbraw/zinc/49/77/25/836497725.db2.gz ROCAYSMPNDEALI-OLZOCXBDSA-N 1 0 251.326 1.412 20 10 CDCDRO COc1ccc(CNC(=[NH2+])NCC(F)F)c(O)c1 ZINC000887357983 836556410 /nfs/dbraw/zinc/55/64/10/836556410.db2.gz MHTBOIFDHODVCY-UHFFFAOYSA-N 1 0 259.256 1.280 20 10 CDCDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@H](O)C[NH3+] ZINC000841092278 836725414 /nfs/dbraw/zinc/72/54/14/836725414.db2.gz LYKGVXFBOYDMHD-SECBINFHSA-N 1 0 279.167 1.450 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000841081292 836824050 /nfs/dbraw/zinc/82/40/50/836824050.db2.gz SRQWDCYXIMZKBK-SECBINFHSA-N 1 0 283.328 1.526 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CC1(O)CCOCC1 ZINC000783714744 836851543 /nfs/dbraw/zinc/85/15/43/836851543.db2.gz BIENSASSVBUBIO-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(O)c1O ZINC000185706511 836865926 /nfs/dbraw/zinc/86/59/26/836865926.db2.gz CIXUZORMNVATTR-LBPRGKRZSA-N 1 0 278.352 1.510 20 10 CDCDRO [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H](CO)CCF ZINC000846098099 836881063 /nfs/dbraw/zinc/88/10/63/836881063.db2.gz YZFYFYCUHRKTDB-MRVPVSSYSA-N 1 0 265.687 1.995 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000848907888 836881127 /nfs/dbraw/zinc/88/11/27/836881127.db2.gz KGSGNHUQWFKLPY-KGLIPLIRSA-N 1 0 292.423 1.842 20 10 CDCDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016368282 836882372 /nfs/dbraw/zinc/88/23/72/836882372.db2.gz NMCHUXMYIMBJKM-GFCCVEGCSA-N 1 0 289.339 1.673 20 10 CDCDRO COCCC[N@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000783730714 836973725 /nfs/dbraw/zinc/97/37/25/836973725.db2.gz WBUPOLIPEOEAMU-UHFFFAOYSA-N 1 0 284.375 1.723 20 10 CDCDRO COc1cc(O)c(CN(C)C2(C[NH3+])CCC2)cc1OC ZINC000843125236 837013870 /nfs/dbraw/zinc/01/38/70/837013870.db2.gz OOVPMDJWNLVCFM-UHFFFAOYSA-N 1 0 280.368 1.723 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710229 837126900 /nfs/dbraw/zinc/12/69/00/837126900.db2.gz UQAIJVBMMOFYCW-UHFFFAOYSA-N 1 0 290.411 1.696 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCCC1=O ZINC000846087968 837880794 /nfs/dbraw/zinc/88/07/94/837880794.db2.gz VWOOBZKEIDVWNN-UHFFFAOYSA-N 1 0 275.396 1.773 20 10 CDCDRO CC[C@@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819381107 837902419 /nfs/dbraw/zinc/90/24/19/837902419.db2.gz VSVPJUBIKMBJIG-DZGCQCFKSA-N 1 0 278.396 1.882 20 10 CDCDRO COc1cccc(O)c1CN[C@@H](CC[NH3+])C(F)(F)F ZINC000841090588 838083116 /nfs/dbraw/zinc/08/31/16/838083116.db2.gz LRVRLNVCAVQFCT-NSHDSACASA-N 1 0 278.274 1.770 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000831002655 838227977 /nfs/dbraw/zinc/22/79/77/838227977.db2.gz NAFABULTKVAYPT-HNNXBMFYSA-N 1 0 276.384 1.304 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCC[NH3+])c1 ZINC000817977378 838739534 /nfs/dbraw/zinc/73/95/34/838739534.db2.gz JBNBVKFWWOPKQQ-MNOVXSKESA-N 1 0 280.368 1.957 20 10 CDCDRO O[C@H](CNc1ccccc1OCCF)C[NH+]1CCCC1 ZINC000863559093 838741692 /nfs/dbraw/zinc/74/16/92/838741692.db2.gz GSKNFLJEPMXECQ-CYBMUJFWSA-N 1 0 282.359 1.904 20 10 CDCDRO OCCOCC[N@H+](Cc1ccccc1O)C1CCC1 ZINC000827210948 838803244 /nfs/dbraw/zinc/80/32/44/838803244.db2.gz UPMIFEAKALPVBD-UHFFFAOYSA-N 1 0 265.353 1.756 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC000843434043 838852287 /nfs/dbraw/zinc/85/22/87/838852287.db2.gz GYWKOMBIHCKWRI-OLZOCXBDSA-N 1 0 279.336 1.056 20 10 CDCDRO COCCOc1ccccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000819427632 838869844 /nfs/dbraw/zinc/86/98/44/838869844.db2.gz UFXIOBKIIYWYLI-CQSZACIVSA-N 1 0 294.395 1.579 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@](CO)(COC)C2)c1O ZINC000825158447 838886172 /nfs/dbraw/zinc/88/61/72/838886172.db2.gz LUGHCCGGCXVDIS-MRXNPFEDSA-N 1 0 295.379 1.622 20 10 CDCDRO CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(OC)ccc1O ZINC000779215178 838911192 /nfs/dbraw/zinc/91/11/92/838911192.db2.gz JZADRMFILZRBJN-CQSZACIVSA-N 1 0 292.379 1.844 20 10 CDCDRO CCC[NH2+]CCNCc1ccc(OCC)cc1O ZINC000841047267 838938732 /nfs/dbraw/zinc/93/87/32/838938732.db2.gz YNJBSUNBMZFITP-UHFFFAOYSA-N 1 0 252.358 1.880 20 10 CDCDRO CCOc1ccc(C[NH2+]CCOCCF)c(O)c1 ZINC000853091877 839184479 /nfs/dbraw/zinc/18/44/79/839184479.db2.gz XSBSTZNDAPKZRA-UHFFFAOYSA-N 1 0 257.305 1.867 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000822971269 839315705 /nfs/dbraw/zinc/31/57/05/839315705.db2.gz BLCSXJGLOJBNBX-CYBMUJFWSA-N 1 0 278.352 1.587 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCOC1 ZINC000037738433 839364807 /nfs/dbraw/zinc/36/48/07/839364807.db2.gz OZVSKSUCWQVEJU-OAHLLOKOSA-N 1 0 276.380 1.649 20 10 CDCDRO COCC(COC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167820 839472835 /nfs/dbraw/zinc/47/28/35/839472835.db2.gz FHNUIQSHLBDGFH-SNVBAGLBSA-N 1 0 269.341 1.713 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000841652378 839562713 /nfs/dbraw/zinc/56/27/13/839562713.db2.gz DDWRHWROCLGVOD-HIFRSBDPSA-N 1 0 288.395 1.256 20 10 CDCDRO OCC1(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000395888262 839735535 /nfs/dbraw/zinc/73/55/35/839735535.db2.gz YLCVKZKLDFCTES-UHFFFAOYSA-N 1 0 290.407 1.775 20 10 CDCDRO COC[C@@]1(CN[C@H]2CCc3cccc(O)c32)CCC[NH2+]1 ZINC000817975027 839843197 /nfs/dbraw/zinc/84/31/97/839843197.db2.gz QBFFNHNNGLXKHD-BBRMVZONSA-N 1 0 276.380 1.738 20 10 CDCDRO NC(=O)CC[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964233 839867555 /nfs/dbraw/zinc/86/75/55/839867555.db2.gz ORSBXMMLIGSIBC-UHFFFAOYSA-N 1 0 279.409 1.205 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000840965842 840030122 /nfs/dbraw/zinc/03/01/22/840030122.db2.gz OHVKAVLFMHWPQM-UHFFFAOYSA-N 1 0 285.365 1.068 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCO[C@H]1CCOC1)OCO2 ZINC000922939258 840090604 /nfs/dbraw/zinc/09/06/04/840090604.db2.gz MTOGIZXGGLPWRG-NSHDSACASA-N 1 0 281.308 1.016 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841848670 840092103 /nfs/dbraw/zinc/09/21/03/840092103.db2.gz VTEWPDAFUDXEFD-UHFFFAOYSA-N 1 0 292.427 1.842 20 10 CDCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000876997286 840163188 /nfs/dbraw/zinc/16/31/88/840163188.db2.gz SBAFXVYAKAYQSG-CQSZACIVSA-N 1 0 261.369 1.268 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000312881797 840192698 /nfs/dbraw/zinc/19/26/98/840192698.db2.gz UUKVGIUGJURHRS-UHFFFAOYSA-N 1 0 263.385 1.757 20 10 CDCDRO CCCN1CC[C@@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000850394934 840314239 /nfs/dbraw/zinc/31/42/39/840314239.db2.gz JGVMVWQDOWTMGK-GFCCVEGCSA-N 1 0 264.369 1.975 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000827901514 840436274 /nfs/dbraw/zinc/43/62/74/840436274.db2.gz OUYZXCBDIXKRIS-PWSUYJOCSA-N 1 0 279.359 1.506 20 10 CDCDRO COc1cc(O)c(CN2CCC[NH2+]CC2)cc1OC ZINC000843047673 840460920 /nfs/dbraw/zinc/46/09/20/840460920.db2.gz VAHFDVNYJAWICJ-UHFFFAOYSA-N 1 0 266.341 1.205 20 10 CDCDRO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c(O)c1 ZINC000877574744 840511971 /nfs/dbraw/zinc/51/19/71/840511971.db2.gz UEYXDZXWEQTOBV-AWEZNQCLSA-N 1 0 291.395 1.936 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1ccc(N(C)C)c(F)c1 ZINC000809740851 840714079 /nfs/dbraw/zinc/71/40/79/840714079.db2.gz KJVYNIOQKLENJS-UHFFFAOYSA-N 1 0 297.418 1.902 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C[C@H](C)[NH3+])CC2)cc1 ZINC000037607255 840738199 /nfs/dbraw/zinc/73/81/99/840738199.db2.gz NKPVLDLQCYZYLE-LBPRGKRZSA-N 1 0 277.368 1.081 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1O ZINC000783507649 840839559 /nfs/dbraw/zinc/83/95/59/840839559.db2.gz CVYDOBVYQFQNRI-QWHCGFSZSA-N 1 0 264.369 1.764 20 10 CDCDRO COc1ccc(O)c(CNC(=O)CC[NH2+]C(C)(C)C)c1 ZINC000934941984 840876942 /nfs/dbraw/zinc/87/69/42/840876942.db2.gz HROCEUHVEOLNLN-UHFFFAOYSA-N 1 0 280.368 1.795 20 10 CDCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984555 840890782 /nfs/dbraw/zinc/89/07/82/840890782.db2.gz CBIDRXLYTHYELQ-LLVKDONJSA-N 1 0 272.389 1.705 20 10 CDCDRO c1cc2c(cc1C[NH2+]C[C@H]1CNCCO1)CCCO2 ZINC000258890321 840892850 /nfs/dbraw/zinc/89/28/50/840892850.db2.gz KAGOSDFRIYCFGA-CQSZACIVSA-N 1 0 262.353 1.090 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825750010 840932012 /nfs/dbraw/zinc/93/20/12/840932012.db2.gz ZOQOAEMSFPGCDU-SNVBAGLBSA-N 1 0 259.733 1.451 20 10 CDCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877424334 841145388 /nfs/dbraw/zinc/14/53/88/841145388.db2.gz JAWMVDVEXPXNBG-HOCLYGCPSA-N 1 0 295.379 1.611 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c(O)c1 ZINC000870931773 841339238 /nfs/dbraw/zinc/33/92/38/841339238.db2.gz MRHLVHHHAZVZTH-KLPPZKSPSA-N 1 0 278.352 1.535 20 10 CDCDRO CC[NH+](CC)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000103529524 841375741 /nfs/dbraw/zinc/37/57/41/841375741.db2.gz LIAUOOYCNSYFBV-LLVKDONJSA-N 1 0 280.368 1.920 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000825158516 841396147 /nfs/dbraw/zinc/39/61/47/841396147.db2.gz NQBVENMEJPDZEL-OAHLLOKOSA-N 1 0 265.353 1.531 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000846166588 841584153 /nfs/dbraw/zinc/58/41/53/841584153.db2.gz AKAORRAZTRXVBF-RWMBFGLXSA-N 1 0 295.379 1.696 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000707704887 841702101 /nfs/dbraw/zinc/70/21/01/841702101.db2.gz WGGLFRIICYBWBK-GARJFASQSA-N 1 0 251.326 1.822 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000851657436 841841371 /nfs/dbraw/zinc/84/13/71/841841371.db2.gz AXNKDGLDHYQEIG-VIFPVBQESA-N 1 0 288.442 1.532 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000842631884 841841856 /nfs/dbraw/zinc/84/18/56/841841856.db2.gz QBAYFUHXUPYASP-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO COC[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCCOC1 ZINC000883184368 841857215 /nfs/dbraw/zinc/85/72/15/841857215.db2.gz VELQAHMLPHWUOM-UONOGXRCSA-N 1 0 265.353 1.923 20 10 CDCDRO CN1CC[C@](O)(C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000705720940 841860995 /nfs/dbraw/zinc/86/09/95/841860995.db2.gz ZEPNVOWINIKEHR-WFASDCNBSA-N 1 0 262.353 1.036 20 10 CDCDRO C[C@@H]([NH2+]CCn1ccccc1=O)c1ccccc1O ZINC000879648884 841869781 /nfs/dbraw/zinc/86/97/81/841869781.db2.gz FSGWESQJHRQHDV-GFCCVEGCSA-N 1 0 258.321 1.905 20 10 CDCDRO c1cc2c(cc1C[NH2+]CCO[C@@H]1CCOC1)CCCO2 ZINC000922936038 841881403 /nfs/dbraw/zinc/88/14/03/841881403.db2.gz XDCDDILFLQPJSS-OAHLLOKOSA-N 1 0 277.364 1.907 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1c(C)cccc1O ZINC000876737985 841883668 /nfs/dbraw/zinc/88/36/68/841883668.db2.gz WMSBHWLBOKGACN-UHFFFAOYSA-N 1 0 281.352 1.712 20 10 CDCDRO COc1cc(O)c(CN2CC[N@H+](C)[C@H](C)[C@H]2C)cc1OC ZINC000775986687 841999040 /nfs/dbraw/zinc/99/90/40/841999040.db2.gz RYAPJMKSKNWKML-VXGBXAGGSA-N 1 0 294.395 1.934 20 10 CDCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000224856085 842015921 /nfs/dbraw/zinc/01/59/21/842015921.db2.gz YIGYDLBQYCDXDS-CMPLNLGQSA-N 1 0 255.383 1.903 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000856073273 842022708 /nfs/dbraw/zinc/02/27/08/842022708.db2.gz MSRMOGKMQSAQTB-DIECRNLCSA-N 1 0 290.363 1.712 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCCO2)cc1 ZINC000832278446 842052110 /nfs/dbraw/zinc/05/21/10/842052110.db2.gz CDDZTOCQPSWTNH-LSDHHAIUSA-N 1 0 291.395 1.438 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1F ZINC000886201622 842070116 /nfs/dbraw/zinc/07/01/16/842070116.db2.gz LCRXWMPWRFTSOW-FZMZJTMJSA-N 1 0 250.317 1.770 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)CN2CCOCC2)c(O)c1 ZINC000876932525 842078496 /nfs/dbraw/zinc/07/84/96/842078496.db2.gz OJHPUUWEARFGDD-CYBMUJFWSA-N 1 0 264.369 1.511 20 10 CDCDRO OC[C@@]1([C@H]([NH2+]Cc2ccccc2O)C2CC2)CCCO1 ZINC000816667105 842148118 /nfs/dbraw/zinc/14/81/18/842148118.db2.gz CMRSCMJDLWFJIT-HZPDHXFCSA-N 1 0 277.364 1.802 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC000840974509 842206355 /nfs/dbraw/zinc/20/63/55/842206355.db2.gz BYTGVPJXMZYSPO-ZBFHGGJFSA-N 1 0 287.359 1.721 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](O)c2ccco2)c1O ZINC000304528010 842222351 /nfs/dbraw/zinc/22/23/51/842222351.db2.gz MEICFWYACXFKAR-NSHDSACASA-N 1 0 263.293 1.817 20 10 CDCDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000779499310 842278784 /nfs/dbraw/zinc/27/87/84/842278784.db2.gz MVHQIPPQHAQEOG-DWMUBGRBSA-N 1 0 288.347 1.464 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c(O)c1 ZINC000856811935 842342514 /nfs/dbraw/zinc/34/25/14/842342514.db2.gz PKUMCZKSIKEELA-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846145755 842527125 /nfs/dbraw/zinc/52/71/25/842527125.db2.gz QBUSSRCLHROAGS-NSHDSACASA-N 1 0 280.368 1.920 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832903 842527186 /nfs/dbraw/zinc/52/71/86/842527186.db2.gz XDIVKMVOEPNXQF-AWEZNQCLSA-N 1 0 288.395 1.599 20 10 CDCDRO CN1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CCC1=O ZINC000862428296 842698109 /nfs/dbraw/zinc/69/81/09/842698109.db2.gz PDJUAUSDXNGYMA-LLVKDONJSA-N 1 0 292.335 1.174 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000123903241 842710950 /nfs/dbraw/zinc/71/09/50/842710950.db2.gz JUTIKLRXJVIBFL-AWEZNQCLSA-N 1 0 261.369 1.496 20 10 CDCDRO COc1cccc(C[NH2+]CCCc2cnn(C)c2)c1O ZINC000237197462 842806466 /nfs/dbraw/zinc/80/64/66/842806466.db2.gz KJVPVFQIMFPKQB-UHFFFAOYSA-N 1 0 275.352 1.857 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000776222586 842862542 /nfs/dbraw/zinc/86/25/42/842862542.db2.gz GCCHQJDSNPIZTF-WCQYABFASA-N 1 0 294.395 1.982 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000931769067 842877768 /nfs/dbraw/zinc/87/77/68/842877768.db2.gz VQLSEHIXKMIXEV-NSHDSACASA-N 1 0 255.289 1.594 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000843056799 842881351 /nfs/dbraw/zinc/88/13/51/842881351.db2.gz AFCRYVZFFSENJO-SKDRFNHKSA-N 1 0 254.305 1.079 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@]23CC[NH2+]C3)c1 ZINC000828667867 842923128 /nfs/dbraw/zinc/92/31/28/842923128.db2.gz VIADQBULASMWCR-WNMQOVRZSA-N 1 0 290.363 1.578 20 10 CDCDRO COCC(COC)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000840954652 842934705 /nfs/dbraw/zinc/93/47/05/842934705.db2.gz LYRJLPDGBIBHFD-UHFFFAOYSA-N 1 0 294.395 1.171 20 10 CDCDRO C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841881609 842950131 /nfs/dbraw/zinc/95/01/31/842950131.db2.gz AGOGXVOIGHIEPP-DGCLKSJQSA-N 1 0 276.384 1.556 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)ccc1N(C)C ZINC000815099845 842970289 /nfs/dbraw/zinc/97/02/89/842970289.db2.gz MXQZRXVEOYCWML-ZBFHGGJFSA-N 1 0 260.381 1.875 20 10 CDCDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2O)C1=O ZINC001272619634 914193822 /nfs/dbraw/zinc/19/38/22/914193822.db2.gz XIRINVWDJBERJU-HNNXBMFYSA-N 1 0 260.337 1.589 20 10 CDCDRO Oc1cccc(C[NH2+][C@@H]2CCCC3(C2)OCCO3)c1O ZINC000715736432 921197742 /nfs/dbraw/zinc/19/77/42/921197742.db2.gz ZUXJDGLFGYTHJY-GFCCVEGCSA-N 1 0 279.336 1.873 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(O)c1 ZINC001204823166 907517069 /nfs/dbraw/zinc/51/70/69/907517069.db2.gz HHGGTCLYRGCTFE-KGLIPLIRSA-N 1 0 281.375 1.719 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCS(=O)(=O)CC2)c1 ZINC000093476688 908210129 /nfs/dbraw/zinc/21/01/29/908210129.db2.gz FBQKVXYPNDOXFD-UHFFFAOYSA-N 1 0 283.393 1.710 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)NC ZINC000697915072 909574723 /nfs/dbraw/zinc/57/47/23/909574723.db2.gz FTLKIIJPMSLADY-JTQLQIEISA-N 1 0 286.759 1.668 20 10 CDCDRO CCOCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172415270 911643838 /nfs/dbraw/zinc/64/38/38/911643838.db2.gz UMULZRUMZVTRDA-SNVBAGLBSA-N 1 0 267.325 1.685 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001204276594 916555361 /nfs/dbraw/zinc/55/53/61/916555361.db2.gz OBSNNQARVXOVEC-AWEZNQCLSA-N 1 0 265.309 1.089 20 10 CDCDRO NC(=O)C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219755 936494803 /nfs/dbraw/zinc/49/48/03/936494803.db2.gz MYNLWTYAZLDICF-UHFFFAOYSA-N 1 0 273.380 1.594 20 10 CDCDRO COCCCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC001203562315 918404945 /nfs/dbraw/zinc/40/49/45/918404945.db2.gz IACRSCLHPUESDY-UHFFFAOYSA-N 1 0 278.396 1.936 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c(O)c1 ZINC001272767096 919203807 /nfs/dbraw/zinc/20/38/07/919203807.db2.gz WUWKOENKZUYUDE-INIZCTEOSA-N 1 0 274.364 1.755 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC(N3CCOCC3)C2)c1O ZINC001140179900 936684577 /nfs/dbraw/zinc/68/45/77/936684577.db2.gz QUOQQHQDWXTVCB-UHFFFAOYSA-N 1 0 276.380 1.525 20 10 CDCDRO Cc1ccc(C)c(CN2CCOC[C@H]2C[NH+](C)C)c1O ZINC001140184279 936684917 /nfs/dbraw/zinc/68/49/17/936684917.db2.gz QEWMQNKSQXBMDX-CQSZACIVSA-N 1 0 278.396 1.771 20 10 CDCDRO OC1CCN(c2ccc(C[NH+]3CC4(COC4)C3)cc2)CC1 ZINC001140281379 936697749 /nfs/dbraw/zinc/69/77/49/936697749.db2.gz DPVMRDWOLCQQIS-UHFFFAOYSA-N 1 0 288.391 1.480 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCc3nccn3CC2)c1 ZINC001140623421 936731982 /nfs/dbraw/zinc/73/19/82/936731982.db2.gz RNQHAOBDUXBPND-UHFFFAOYSA-N 1 0 257.337 1.955 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1 ZINC001140621834 936732073 /nfs/dbraw/zinc/73/20/73/936732073.db2.gz QYEJQIGGNDZPPP-MRXNPFEDSA-N 1 0 274.364 1.803 20 10 CDCDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660435 936736053 /nfs/dbraw/zinc/73/60/53/936736053.db2.gz RNWAJXCJNMRUPT-HNNXBMFYSA-N 1 0 294.370 1.619 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+](C)[C@@H]2CCN(C)C2)c1O ZINC001140745354 936748794 /nfs/dbraw/zinc/74/87/94/936748794.db2.gz GSALJZGBGJDRHY-GFCCVEGCSA-N 1 0 250.342 1.542 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749547 936749433 /nfs/dbraw/zinc/74/94/33/936749433.db2.gz DHZOQNWAJXDLEA-OAHLLOKOSA-N 1 0 279.336 1.791 20 10 CDCDRO Cc1c(O)ccc(CN2CCC[C@@H]3C[N@@H+](C)C[C@H]32)c1O ZINC001140748492 936749891 /nfs/dbraw/zinc/74/98/91/936749891.db2.gz HMYWIHSGVVVKNM-TZMCWYRMSA-N 1 0 276.380 1.932 20 10 CDCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140750164 936750260 /nfs/dbraw/zinc/75/02/60/936750260.db2.gz WWLKQKUJLOENDQ-CYBMUJFWSA-N 1 0 292.379 1.897 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001140850289 936764494 /nfs/dbraw/zinc/76/44/94/936764494.db2.gz ILOXHXLPNYUAOH-BBRMVZONSA-N 1 0 294.395 1.023 20 10 CDCDRO COc1cc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(OC)c1 ZINC001141031345 936794683 /nfs/dbraw/zinc/79/46/83/936794683.db2.gz DJBQTEUNKJNIIE-OLZOCXBDSA-N 1 0 299.342 1.704 20 10 CDCDRO Oc1ccc(O)c(CN2CCN(c3cnccn3)CC2)c1 ZINC001141155820 936821497 /nfs/dbraw/zinc/82/14/97/936821497.db2.gz KTDXUPXBDPEXKO-UHFFFAOYSA-N 1 0 286.335 1.210 20 10 CDCDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156773 936821580 /nfs/dbraw/zinc/82/15/80/936821580.db2.gz URRIRJIRXQSXEK-GFCCVEGCSA-N 1 0 291.269 1.845 20 10 CDCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160397 936822573 /nfs/dbraw/zinc/82/25/73/936822573.db2.gz XDCXPTPEFLEDKA-MNOVXSKESA-N 1 0 279.336 1.871 20 10 CDCDRO Oc1ccc(O)c(C[NH+]2CCC(n3cnnc3)CC2)c1 ZINC001141161756 936822747 /nfs/dbraw/zinc/82/27/47/936822747.db2.gz WYYLCYCNXTVZEQ-UHFFFAOYSA-N 1 0 274.324 1.526 20 10 CDCDRO Cc1cc(C)c(CNC(=O)C2CC[NH+](C)CC2)c(O)c1 ZINC001143317538 937152606 /nfs/dbraw/zinc/15/26/06/937152606.db2.gz VAJLMDJUFBSQAK-UHFFFAOYSA-N 1 0 276.380 1.967 20 10 CDCDRO C[C@@H](Cn1cncn1)[NH2+]CCCSc1nccs1 ZINC000850437489 927428789 /nfs/dbraw/zinc/42/87/89/927428789.db2.gz QCRKJGTVUAOSDZ-JTQLQIEISA-N 1 0 283.426 1.895 20 10 CDCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC001169624819 928249603 /nfs/dbraw/zinc/24/96/03/928249603.db2.gz MHGRADUXPSQMPU-CQSZACIVSA-N 1 0 262.353 1.835 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCCCS(C)(=O)=O)cc1 ZINC000692843459 937234884 /nfs/dbraw/zinc/23/48/84/937234884.db2.gz UTGCDPQUPJWYOZ-UHFFFAOYSA-N 1 0 284.425 1.667 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(O)c1 ZINC001144503996 931864895 /nfs/dbraw/zinc/86/48/95/931864895.db2.gz HMISCMFJVLWJKK-XCBNKYQSSA-N 1 0 271.263 1.890 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](N3CCCC3)C2)c(O)c1 ZINC001144509324 931875458 /nfs/dbraw/zinc/87/54/58/931875458.db2.gz SPDBZFFMBASNMA-NSHDSACASA-N 1 0 278.352 1.474 20 10 CDCDRO C[N@H+](CCc1ccncc1)Cc1c(O)cc(O)cc1O ZINC001144509276 931875498 /nfs/dbraw/zinc/87/54/98/931875498.db2.gz RMPLMKWGBJCMRB-UHFFFAOYSA-N 1 0 274.320 1.873 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC001144515743 931881315 /nfs/dbraw/zinc/88/13/15/931881315.db2.gz XAPSYVMBZXLWDK-GFCCVEGCSA-N 1 0 265.309 1.414 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(=O)[O-])ccc1O ZINC001276055048 932478420 /nfs/dbraw/zinc/47/84/20/932478420.db2.gz AHKAKHWIRVDLLK-AGUYFDCRSA-N 1 0 290.363 1.805 20 10 CDCDRO C[C@H]1C[C@@H](C(=O)NCc2cccc(O)c2O)CC[N@@H+]1C ZINC001123890461 936239924 /nfs/dbraw/zinc/23/99/24/936239924.db2.gz YTHQNPXIUZTYPD-QWRGUYRKSA-N 1 0 278.352 1.444 20 10 CDCDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001120681284 937825256 /nfs/dbraw/zinc/82/52/56/937825256.db2.gz HXDRVVQEQNVOGQ-UHFFFAOYSA-N 1 0 290.411 1.895 20 10 CDCDRO CC[C@@H](F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001121809521 937883385 /nfs/dbraw/zinc/88/33/85/937883385.db2.gz FURSUDSGXUBSHV-OLZOCXBDSA-N 1 0 267.348 1.617 20 10 CDCDRO CNc1ccccc1NCCC[NH+]1CCN(C)CC1 ZINC001161710175 938924352 /nfs/dbraw/zinc/92/43/52/938924352.db2.gz OQKBMOWCXKUFDN-UHFFFAOYSA-N 1 0 262.401 1.778 20 10 CDCDRO Nc1ccc(Nc2ccc([C@H](C[NH3+])CO)cc2)nc1 ZINC001163049443 939184869 /nfs/dbraw/zinc/18/48/69/939184869.db2.gz ATSKTKJUYIKZFT-LLVKDONJSA-N 1 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ZINC001231842968 943026103 /nfs/dbraw/zinc/02/61/03/943026103.db2.gz QSYDTAHAKZINAC-UHFFFAOYSA-N 1 0 276.380 1.525 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CC(N3CCOCC3)C2)c(O)c1 ZINC001231845734 943026252 /nfs/dbraw/zinc/02/62/52/943026252.db2.gz RLCKUULXAGIJTP-UHFFFAOYSA-N 1 0 276.380 1.525 20 10 CDCDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)c(O)cc1O ZINC001232262555 943194148 /nfs/dbraw/zinc/19/41/48/943194148.db2.gz JJEFHQRYUDROSE-UWVGGRQHSA-N 1 0 268.744 1.640 20 10 CDCDRO CC[N@H+](CCN(C)C)Cc1ccc(N(C)C)cc1O ZINC001232835116 943412463 /nfs/dbraw/zinc/41/24/63/943412463.db2.gz WMWQYUFACYUMIM-UHFFFAOYSA-N 1 0 265.401 1.842 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC3(COC3)C2)c(O)c1 ZINC001232836752 943414260 /nfs/dbraw/zinc/41/42/60/943414260.db2.gz SSOAMUBDUFHPIE-UHFFFAOYSA-N 1 0 262.353 1.681 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@@H]1CCCOC1 ZINC001233014714 943462834 /nfs/dbraw/zinc/46/28/34/943462834.db2.gz BUWMYKUCHSRBSD-SNVBAGLBSA-N 1 0 253.298 1.414 20 10 CDCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233017455 943464561 /nfs/dbraw/zinc/46/45/61/943464561.db2.gz WHXYBIIURRHAKA-GFCCVEGCSA-N 1 0 280.368 1.720 20 10 CDCDRO Cc1noc([C@@H]2CC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233017740 943466233 /nfs/dbraw/zinc/46/62/33/943466233.db2.gz ZTIXYJWFDXKTQB-SNVBAGLBSA-N 1 0 291.307 1.484 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@@H+](C)C1 ZINC001234473561 943857482 /nfs/dbraw/zinc/85/74/82/943857482.db2.gz HWFJBIJYVKPDJI-SECBINFHSA-N 1 0 251.282 1.383 20 10 CDCDRO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000389186444 944169659 /nfs/dbraw/zinc/16/96/59/944169659.db2.gz SHCIIPSMUSXGAN-INIZCTEOSA-N 1 0 289.423 1.707 20 10 CDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC001235983186 944347021 /nfs/dbraw/zinc/34/70/21/944347021.db2.gz YLPSOXWJGAQCOP-ZWNOBZJWSA-N 1 0 252.745 1.969 20 10 CDCDRO COc1cc(C[N@H+](C)CCO)c(O)cc1Br ZINC001236255512 944438275 /nfs/dbraw/zinc/43/82/75/944438275.db2.gz GLPXBLAFWDMGHC-UHFFFAOYSA-N 1 0 290.157 1.587 20 10 CDCDRO COc1cc(C)c(CN2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236251231 944436493 /nfs/dbraw/zinc/43/64/93/944436493.db2.gz QYMPYMIBCWKFNI-LLVKDONJSA-N 1 0 250.342 1.632 20 10 CDCDRO Oc1cccc(OC(F)(F)F)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236295093 944454005 /nfs/dbraw/zinc/45/40/05/944454005.db2.gz PQKZCCGFYPIWNO-SCZZXKLOSA-N 1 0 288.269 1.694 20 10 CDCDRO COc1cc(C)c(CN2CC[N@@H+]3CC[C@H]3C2)c(O)c1 ZINC001236812986 944578988 /nfs/dbraw/zinc/57/89/88/944578988.db2.gz DDPUADRFHLROTI-LBPRGKRZSA-N 1 0 262.353 1.599 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)c(O)c1 ZINC001236820483 944582160 /nfs/dbraw/zinc/58/21/60/944582160.db2.gz MGCVHAFGDDAPBG-GFCCVEGCSA-N 1 0 292.379 1.762 20 10 CDCDRO CNC(=O)C[N@H+](C)Cc1ccc(C(C)C)cc1O ZINC001237046301 944645553 /nfs/dbraw/zinc/64/55/53/944645553.db2.gz SQKKYQZBNOWPDZ-UHFFFAOYSA-N 1 0 250.342 1.693 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)c1 ZINC001237049440 944646474 /nfs/dbraw/zinc/64/64/74/944646474.db2.gz FQMZHNVERAAHIY-HNNXBMFYSA-N 1 0 265.353 1.995 20 10 CDCDRO Oc1cc(O)c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237410299 944761326 /nfs/dbraw/zinc/76/13/26/944761326.db2.gz COEQQRICMAMGFM-ZYHUDNBSSA-N 1 0 278.352 1.377 20 10 CDCDRO COc1cc(CN2CC3(C2)C[NH+](C)C3)c(O)c(OC)c1 ZINC001237678161 944921149 /nfs/dbraw/zinc/92/11/49/944921149.db2.gz VJBYVCBYYQILCH-UHFFFAOYSA-N 1 0 278.352 1.157 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(O)c1 ZINC001249173693 949440235 /nfs/dbraw/zinc/44/02/35/949440235.db2.gz VGZDGXIXTMWJRE-RISCZKNCSA-N 1 0 293.363 1.310 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC001249178950 949441101 /nfs/dbraw/zinc/44/11/01/949441101.db2.gz WRKBCMYVJGSWPQ-CYBMUJFWSA-N 1 0 279.336 1.064 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001303225685 956068766 /nfs/dbraw/zinc/06/87/66/956068766.db2.gz NDTFOKBQEOOBKF-LBPRGKRZSA-N 1 0 292.379 1.834 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1CO ZINC001308910787 956600636 /nfs/dbraw/zinc/60/06/36/956600636.db2.gz BNKWUCBOUFGWHT-PHIMTYICSA-N 1 0 271.744 1.078 20 10 CDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774461 959347855 /nfs/dbraw/zinc/34/78/55/959347855.db2.gz ILBJJZCUUUYWQJ-HOCLYGCPSA-N 1 0 294.395 1.115 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC001335680771 959970352 /nfs/dbraw/zinc/97/03/52/959970352.db2.gz ZHUMHDBHPCFNOF-YPMHNXCESA-N 1 0 262.357 1.195 20 10 CDCDRO Nc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC001349370664 966329285 /nfs/dbraw/zinc/32/92/85/966329285.db2.gz FGXJWCJYWKCHAD-UHFFFAOYSA-N 1 0 286.339 1.037 20 10 CDCDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001575338102 1171154359 /nfs/dbraw/zinc/15/43/59/1171154359.db2.gz LCZKECYAKCVOEI-UHFFFAOYSA-N 1 0 263.385 1.157 20 10 CDCDRO CC[C@@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000075643574 342314003 /nfs/dbraw/zinc/31/40/03/342314003.db2.gz ULAHGWGNDZWANO-OAHLLOKOSA-N 1 0 278.396 1.978 20 10 CDCDRO COc1cc(C)cc(CN[C@]23CCC[C@H]2C[NH2+]C3)c1O ZINC001579144890 1172105690 /nfs/dbraw/zinc/10/56/90/1172105690.db2.gz LECMNNZSNLATSX-BBRMVZONSA-N 1 0 276.380 1.941 20 10 CDCDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001579347672 1172152128 /nfs/dbraw/zinc/15/21/28/1172152128.db2.gz LOHCBSPWCLQAPQ-ZIAGYGMSSA-N 1 0 297.424 1.219 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000036794559 356884223 /nfs/dbraw/zinc/88/42/23/356884223.db2.gz OJTKAZVHZSHXOX-QWRGUYRKSA-N 1 0 250.342 1.876 20 10 CDCDRO COc1cccc(C[NH+]2CCC(C)(O)CC2)c1O ZINC000179725754 357222112 /nfs/dbraw/zinc/22/21/12/357222112.db2.gz PGRLYSCJLGEEFY-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)COC2)c(O)c1 ZINC000294832132 199203302 /nfs/dbraw/zinc/20/33/02/199203302.db2.gz RDNVMIJHDGIYMT-GFCCVEGCSA-N 1 0 265.353 1.669 20 10 CDCDRO COc1cccc(CNC(=O)/C=C/C[NH+](C)C)c1O ZINC000269178747 364151127 /nfs/dbraw/zinc/15/11/27/364151127.db2.gz KMRRTSNEDWHFRH-VMPITWQZSA-N 1 0 264.325 1.135 20 10 CDCDRO CCCN(CC(=O)OCC)Cc1cc2c(cc1O)OCO2 ZINC000270095731 364457697 /nfs/dbraw/zinc/45/76/97/364457697.db2.gz DJVHXKDTFHBBHX-UHFFFAOYSA-N 1 0 295.335 1.896 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(O)(COC)CC2)c1O ZINC000271178408 364962252 /nfs/dbraw/zinc/96/22/52/364962252.db2.gz KLKOULACBQBBNH-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@@H](COC)OC)ccc1OC ZINC000272627295 365328220 /nfs/dbraw/zinc/32/82/20/365328220.db2.gz AEFHJOXFNNIHDP-HNNXBMFYSA-N 1 0 297.395 1.983 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297933696 372038511 /nfs/dbraw/zinc/03/85/11/372038511.db2.gz XTNNISBDQUVVSW-KGLIPLIRSA-N 1 0 276.380 1.690 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282462235 295168651 /nfs/dbraw/zinc/16/86/51/295168651.db2.gz VSDJFGIHMIRNIG-APBUJDDRSA-N 1 0 283.393 1.963 20 10 CDCDRO COc1cccc(CNC(=O)C[N@H+](C)C(C)C)c1O ZINC000105649365 390515998 /nfs/dbraw/zinc/51/59/98/390515998.db2.gz TUGOKOHLUXLSBH-UHFFFAOYSA-N 1 0 266.341 1.357 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(C)(C)O)c1O ZINC000092970294 390898362 /nfs/dbraw/zinc/89/83/62/390898362.db2.gz DETKOQRPTLEELR-UHFFFAOYSA-N 1 0 269.316 1.937 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173190150 391102852 /nfs/dbraw/zinc/10/28/52/391102852.db2.gz BUMMXWOTFLMCTQ-UHFFFAOYSA-N 1 0 291.395 1.818 20 10 CDCDRO Cc1cc(CN2CC[C@@H](S(C)(=O)=O)C2)ccc1N(C)C ZINC000293988866 391039199 /nfs/dbraw/zinc/03/91/99/391039199.db2.gz FILWWIJVKICKGR-CQSZACIVSA-N 1 0 296.436 1.680 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(O)c1O ZINC000182319623 391232591 /nfs/dbraw/zinc/23/25/91/391232591.db2.gz YEYITQIQLKBTFK-SNVBAGLBSA-N 1 0 278.352 1.619 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000179577724 391212605 /nfs/dbraw/zinc/21/26/05/391212605.db2.gz FUKHVOBDBAFZDP-ZDUSSCGKSA-N 1 0 281.352 1.374 20 10 CDCDRO Cc1nsc(N2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000179580022 391212691 /nfs/dbraw/zinc/21/26/91/391212691.db2.gz PUVVWTIQOJTDRY-UHFFFAOYSA-N 1 0 290.392 1.874 20 10 CDCDRO CCOc1cccc(C[N@H+](CCO)C2CCOCC2)c1O ZINC000275848180 391352170 /nfs/dbraw/zinc/35/21/70/391352170.db2.gz HTHXGEHOBRIJML-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CC(N)=O)cc1 ZINC000135716346 393309741 /nfs/dbraw/zinc/30/97/41/393309741.db2.gz ZJMBZJQKTMMFAW-GFCCVEGCSA-N 1 0 263.385 1.886 20 10 CDCDRO CCOc1cccc(CN2CCC[NH2+]CC2)c1O ZINC000038086958 174097723 /nfs/dbraw/zinc/09/77/23/174097723.db2.gz CJMXKKJPKNHKMU-UHFFFAOYSA-N 1 0 250.342 1.586 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1O ZINC000036933245 260052988 /nfs/dbraw/zinc/05/29/88/260052988.db2.gz DWJRVQMBGSEXHD-STQMWFEESA-N 1 0 264.369 1.764 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000159767483 261193947 /nfs/dbraw/zinc/19/39/47/261193947.db2.gz PMZFYKOIPZOYCR-UHFFFAOYSA-N 1 0 292.379 1.878 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc(F)ccc1O ZINC000186178707 262083284 /nfs/dbraw/zinc/08/32/84/262083284.db2.gz WKWJYJPCVAVJCC-NOZJJQNGSA-N 1 0 255.289 1.333 20 10 CDCDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(F)ccc1O ZINC000186221813 262084500 /nfs/dbraw/zinc/08/45/00/262084500.db2.gz JINJETSFHJDQID-QMMMGPOBSA-N 1 0 254.305 1.693 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000185194074 262301803 /nfs/dbraw/zinc/30/18/03/262301803.db2.gz OKDBKRWYSFHYSP-NSHDSACASA-N 1 0 280.368 1.920 20 10 CDCDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(F)ccc1O ZINC000368132752 267146657 /nfs/dbraw/zinc/14/66/57/267146657.db2.gz GVNLUFMFACPWSU-VIFPVBQESA-N 1 0 252.289 1.242 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000296082339 290028335 /nfs/dbraw/zinc/02/83/35/290028335.db2.gz XLONPFJBMSXHSQ-ZLKJLUDKSA-N 1 0 250.342 1.163 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cc(F)ccc1O ZINC000186505715 327917035 /nfs/dbraw/zinc/91/70/35/327917035.db2.gz JWBRNJFWQUBKHG-VIFPVBQESA-N 1 0 266.316 1.708 20 10 CDCDRO C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCC[NH2+]C1 ZINC000237503191 328007855 /nfs/dbraw/zinc/00/78/55/328007855.db2.gz JYVZNAZRQSARLH-OAHLLOKOSA-N 1 0 261.369 1.317 20 10 CDCDRO CCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000378494816 329052812 /nfs/dbraw/zinc/05/28/12/329052812.db2.gz JZCRUFVHAMFRDR-UHFFFAOYSA-N 1 0 280.343 1.976 20 10 CDCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000230994747 329372891 /nfs/dbraw/zinc/37/28/91/329372891.db2.gz LOUVPZVWPVMRAC-UHFFFAOYSA-N 1 0 292.788 1.027 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000078640503 330327077 /nfs/dbraw/zinc/32/70/77/330327077.db2.gz ZTXGQHQMSIRUBI-NSHDSACASA-N 1 0 270.398 1.275 20 10 CDCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000219065863 333141128 /nfs/dbraw/zinc/14/11/28/333141128.db2.gz QBGWZUNKOCMBLQ-AMIZOPFISA-N 1 0 285.365 1.323 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000228094447 333294927 /nfs/dbraw/zinc/29/49/27/333294927.db2.gz JRSQOWXFMCJNRA-IINYFYTJSA-N 1 0 267.325 1.030 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H](CO)COC)ccc1OC ZINC000279812940 520186242 /nfs/dbraw/zinc/18/62/42/520186242.db2.gz OTXWXXLMCCHJOK-AWEZNQCLSA-N 1 0 283.368 1.329 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCC(N)=O)cc1F ZINC000289662101 522168441 /nfs/dbraw/zinc/16/84/41/522168441.db2.gz NHLFEZQZUDYGQW-UHFFFAOYSA-N 1 0 253.321 1.199 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCO1 ZINC000278555229 522754191 /nfs/dbraw/zinc/75/41/91/522754191.db2.gz BVRWNMUNRTZABO-JSGCOSHPSA-N 1 0 251.326 1.676 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC2(N(C)C)CCC2)cc1OC ZINC000275806353 522779163 /nfs/dbraw/zinc/77/91/63/522779163.db2.gz DAKGYCFLZXQDNO-UHFFFAOYSA-N 1 0 294.395 1.983 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000071266233 522802573 /nfs/dbraw/zinc/80/25/73/522802573.db2.gz YKEZBUIQKFKOPE-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000061375916 523604216 /nfs/dbraw/zinc/60/42/16/523604216.db2.gz FGERIHQPNYSTKO-UHFFFAOYSA-N 1 0 268.357 1.069 20 10 CDCDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000061376773 523610588 /nfs/dbraw/zinc/61/05/88/523610588.db2.gz CVKCGCBDSOINAW-CQSZACIVSA-N 1 0 279.428 1.981 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000290301098 524010576 /nfs/dbraw/zinc/01/05/76/524010576.db2.gz YVRHBTBSAAWXIH-OSMZGAPFSA-N 1 0 251.326 1.765 20 10 CDCDRO COc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1C ZINC000277430114 524069829 /nfs/dbraw/zinc/06/98/29/524069829.db2.gz CAEHNFKEWGMVBC-UHFFFAOYSA-N 1 0 290.407 1.958 20 10 CDCDRO Nc1ccc(CCNC(=O)CCCCCC[NH3+])cc1 ZINC000262589506 527172470 /nfs/dbraw/zinc/17/24/70/527172470.db2.gz ZDPIYXIVOBHJMG-UHFFFAOYSA-N 1 0 263.385 1.837 20 10 CDCDRO CCC[N@H+](C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000730285568 574910100 /nfs/dbraw/zinc/91/01/00/574910100.db2.gz XTENLWWQYDAFPV-NSHDSACASA-N 1 0 280.368 1.920 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000773753619 575837877 /nfs/dbraw/zinc/83/78/77/575837877.db2.gz LPXFZQHZYAOHKY-HNNXBMFYSA-N 1 0 275.396 1.805 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000764679228 575933427 /nfs/dbraw/zinc/93/34/27/575933427.db2.gz QONSJYMSSIOHHT-HNNXBMFYSA-N 1 0 295.379 1.668 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000765797247 576056950 /nfs/dbraw/zinc/05/69/50/576056950.db2.gz RBYQHCGCDHXZTD-NWDGAFQWSA-N 1 0 278.352 1.405 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(CCO)CC1 ZINC000768238270 576264768 /nfs/dbraw/zinc/26/47/68/576264768.db2.gz YKQJNMFEVLWAGF-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO CC(C)C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440315 576282740 /nfs/dbraw/zinc/28/27/40/576282740.db2.gz QJVFBORTMHWPER-CYBMUJFWSA-N 1 0 251.326 1.906 20 10 CDCDRO CCOC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768443233 576283712 /nfs/dbraw/zinc/28/37/12/576283712.db2.gz RVCIXAHLFAAKAX-OAHLLOKOSA-N 1 0 293.363 1.819 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(F)ccc1O ZINC000756616001 576997525 /nfs/dbraw/zinc/99/75/25/576997525.db2.gz YILIXKAAEMIXSN-OTYXRUKQSA-N 1 0 279.315 1.649 20 10 CDCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(F)ccc1O ZINC000756758612 577003391 /nfs/dbraw/zinc/00/33/91/577003391.db2.gz INGXQHLLDKCYRM-ZIBATOQPSA-N 1 0 282.359 1.901 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000840907571 617599350 /nfs/dbraw/zinc/59/93/50/617599350.db2.gz HLQLIRUHSWSDNU-ZDUSSCGKSA-N 1 0 261.369 1.368 20 10 CDCDRO [NH3+]C[C@H](NC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000892025450 617421072 /nfs/dbraw/zinc/42/10/72/617421072.db2.gz XHXSCAUSBPMHJM-LBPRGKRZSA-N 1 0 261.325 1.155 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH3+])c1ccccc1O ZINC000892057445 617448067 /nfs/dbraw/zinc/44/80/67/617448067.db2.gz ZVYALMQUWNUCOK-VHSXEESVSA-N 1 0 251.330 1.490 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CO)c(O)c1OC ZINC000891567678 617482170 /nfs/dbraw/zinc/48/21/70/617482170.db2.gz LGCRLGNOHQRONX-LLVKDONJSA-N 1 0 267.325 1.366 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000892580805 617517269 /nfs/dbraw/zinc/51/72/69/617517269.db2.gz NLAGIKLYDZGWSU-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892168517 617521934 /nfs/dbraw/zinc/52/19/34/617521934.db2.gz FBKIVRBOHZGKCZ-CMPLNLGQSA-N 1 0 275.352 1.545 20 10 CDCDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000892667920 617573789 /nfs/dbraw/zinc/57/37/89/617573789.db2.gz DIPZMIPWHHSPKJ-ZDUSSCGKSA-N 1 0 292.379 1.564 20 10 CDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCOC1 ZINC000840964304 617851036 /nfs/dbraw/zinc/85/10/36/617851036.db2.gz YXGHSNGCLIWNBP-LSDHHAIUSA-N 1 0 277.364 1.499 20 10 CDCDRO CC[C@]1(O)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893719950 617974694 /nfs/dbraw/zinc/97/46/94/617974694.db2.gz TXZWBIFSFSBMJR-HNNXBMFYSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCC[C@H]2C)c(O)c1OC ZINC000893355315 617655672 /nfs/dbraw/zinc/65/56/72/617655672.db2.gz CSLTYGOWKDGGIP-GFCCVEGCSA-N 1 0 294.395 1.983 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000840976448 617978061 /nfs/dbraw/zinc/97/80/61/617978061.db2.gz BWKGEKGSEXZCND-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO COC(=O)[C@H]1[C@H](C[N@H+](C)Cc2ccccc2O)C1(F)F ZINC000893961286 618208596 /nfs/dbraw/zinc/20/85/96/618208596.db2.gz DVPTYCJDCXMGGL-CMPLNLGQSA-N 1 0 285.290 1.878 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)c1O ZINC000894034233 618252403 /nfs/dbraw/zinc/25/24/03/618252403.db2.gz MZNBTVUMXYTKOY-LBPRGKRZSA-N 1 0 292.379 1.762 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(O)c1OC ZINC000894184874 618671832 /nfs/dbraw/zinc/67/18/32/618671832.db2.gz LZJDKLWRFFNCIL-OAHLLOKOSA-N 1 0 294.351 1.107 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000788266792 618916029 /nfs/dbraw/zinc/91/60/29/618916029.db2.gz BQXOGFDVNQMLQX-PWSUYJOCSA-N 1 0 251.326 1.746 20 10 CDCDRO COc1ccc(C[NH2+]CC2=CCCOC2)c(O)c1OC ZINC000894513827 618931588 /nfs/dbraw/zinc/93/15/88/618931588.db2.gz OYTSBNOARLGSGM-UHFFFAOYSA-N 1 0 279.336 1.846 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000894665674 619008394 /nfs/dbraw/zinc/00/83/94/619008394.db2.gz CLZGKWKEGYFRHM-SNVBAGLBSA-N 1 0 284.331 1.273 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c(O)c1OC ZINC000894769142 619046827 /nfs/dbraw/zinc/04/68/27/619046827.db2.gz LYOITBMJICDGBA-VXGBXAGGSA-N 1 0 281.352 1.660 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894929507 619149316 /nfs/dbraw/zinc/14/93/16/619149316.db2.gz PFLFWZHHUOWCQS-MRXNPFEDSA-N 1 0 295.379 1.540 20 10 CDCDRO CCCN1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000895439268 619667300 /nfs/dbraw/zinc/66/73/00/619667300.db2.gz ZLHBWLSBIVWOKW-ZDUSSCGKSA-N 1 0 294.395 1.983 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCC1CC[NH2+]CC1 ZINC000841923510 620532349 /nfs/dbraw/zinc/53/23/49/620532349.db2.gz JMIKOSLUYCXCQK-UHFFFAOYSA-N 1 0 277.368 1.533 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CN)C2CC2)c(O)c1 ZINC000841029202 621019995 /nfs/dbraw/zinc/01/99/95/621019995.db2.gz VWCPQUXPTRDPDP-CYBMUJFWSA-N 1 0 250.342 1.618 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897676766 621063493 /nfs/dbraw/zinc/06/34/93/621063493.db2.gz XKZBATCOYWECQZ-ZYHUDNBSSA-N 1 0 251.326 1.522 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000787422029 621556114 /nfs/dbraw/zinc/55/61/14/621556114.db2.gz XSOPCUOZIJXTHP-JOYOIKCWSA-N 1 0 267.300 1.915 20 10 CDCDRO CCNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899724013 622386624 /nfs/dbraw/zinc/38/66/24/622386624.db2.gz ISQLSPBDNPBFEY-AWEZNQCLSA-N 1 0 294.468 1.839 20 10 CDCDRO CN(C[C@@H]([NH3+])CC(F)F)c1ccc2c(c1)OCO2 ZINC000903902563 626139645 /nfs/dbraw/zinc/13/96/45/626139645.db2.gz JQBHDDIZCZSHHT-QMMMGPOBSA-N 1 0 258.268 1.834 20 10 CDCDRO F[C@@H]1C[NH2+][C@H](CNCc2ccc3c(c2)CCCO3)C1 ZINC000904354670 626263384 /nfs/dbraw/zinc/26/33/84/626263384.db2.gz ITOAUJXBWAUZIN-KBPBESRZSA-N 1 0 264.344 1.801 20 10 CDCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087780 628482442 /nfs/dbraw/zinc/48/24/42/628482442.db2.gz WNHKNZHLKBYVST-LLVKDONJSA-N 1 0 288.750 1.653 20 10 CDCDRO CC(C)[NH+]1CCC(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910943433 629125190 /nfs/dbraw/zinc/12/51/90/629125190.db2.gz CKUBXYBRDGHRGG-UHFFFAOYSA-N 1 0 292.379 1.834 20 10 CDCDRO C[C@@H]1CN(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921689604 633184069 /nfs/dbraw/zinc/18/40/69/633184069.db2.gz IXRPWPGHNGLTGG-CQSZACIVSA-N 1 0 290.407 1.822 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCS(C)(=O)=O ZINC000037740556 1165787493 /nfs/dbraw/zinc/78/74/93/1165787493.db2.gz GSCDFOMLJNAJLA-WDEREUQCSA-N 1 0 283.393 1.883 20 10 CDCDRO CCC(CC)(C[NH3+])C(=O)NCc1c(O)cccc1O ZINC001577050804 1171590885 /nfs/dbraw/zinc/59/08/85/1171590885.db2.gz FPBVVSICCVCKMM-UHFFFAOYSA-N 1 0 266.341 1.479 20 10 CDCDRO COc1cc(C)c(CN[C@@H]2C[NH2+]CCC2(F)F)c(O)c1 ZINC001579144387 1172105145 /nfs/dbraw/zinc/10/51/45/1172105145.db2.gz DGLSUPXDBPESMY-CYBMUJFWSA-N 1 0 286.322 1.796 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000083433473 1173455709 /nfs/dbraw/zinc/45/57/09/1173455709.db2.gz RHKJYEOKGPJIFH-ZETCQYMHSA-N 1 0 260.131 1.625 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000300555671 1186381381 /nfs/dbraw/zinc/38/13/81/1186381381.db2.gz WRWNBUZOGIMEPI-SDDRHHMPSA-N 1 0 265.353 1.846 20 10 CDCDRO Cc1nnc(C[NH2+][C@H](C)c2cc(C)ccc2O)n1C ZINC000393196305 1187285949 /nfs/dbraw/zinc/28/59/49/1187285949.db2.gz AHWMDTKWUZPMHL-SNVBAGLBSA-N 1 0 260.341 1.988 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(C)cc1O ZINC000866420581 1164780561 /nfs/dbraw/zinc/78/05/61/1164780561.db2.gz PVUAAFKAZJJYQO-SCRDCRAPSA-N 1 0 251.326 1.501 20 10 CDCDRO Oc1c(C[NH2+]C[C@]2(O)CCOC2)ccc2ccccc21 ZINC000816558854 844058084 /nfs/dbraw/zinc/05/80/84/844058084.db2.gz NNHVLYHQOXOECH-MRXNPFEDSA-N 1 0 273.332 1.786 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000817412331 844064886 /nfs/dbraw/zinc/06/48/86/844064886.db2.gz IVTSJGNFRZOJHG-VXGBXAGGSA-N 1 0 265.353 1.851 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000079497956 844076259 /nfs/dbraw/zinc/07/62/59/844076259.db2.gz XDWKFBPVOQMSCY-VIFPVBQESA-N 1 0 296.342 1.548 20 10 CDCDRO CC(C)([NH3+])C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841029890 844081316 /nfs/dbraw/zinc/08/13/16/844081316.db2.gz CNCONFPPUCXEEY-UHFFFAOYSA-N 1 0 273.720 1.781 20 10 CDCDRO COc1ccc2c(c1)CCCN2CCOCC[NH3+] ZINC000843358053 844157942 /nfs/dbraw/zinc/15/79/42/844157942.db2.gz YMZFRYCVKPUTGG-UHFFFAOYSA-N 1 0 250.342 1.423 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000226587829 844203476 /nfs/dbraw/zinc/20/34/76/844203476.db2.gz QHXGOXDSRSSMBY-UHFFFAOYSA-N 1 0 254.305 1.489 20 10 CDCDRO CC[C@@H](C(=O)NCc1cc(OC)ccc1O)[NH+](C)C ZINC000126528077 844221589 /nfs/dbraw/zinc/22/15/89/844221589.db2.gz DUJSHWZXZOEBLX-LBPRGKRZSA-N 1 0 266.341 1.357 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2COC(C)(C)OC2)cc1 ZINC000230695450 844238057 /nfs/dbraw/zinc/23/80/57/844238057.db2.gz NIGNNFNGVCXUFQ-UHFFFAOYSA-N 1 0 264.369 1.994 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000877121207 844299627 /nfs/dbraw/zinc/29/96/27/844299627.db2.gz QGEICPCFZWJSIX-JTQLQIEISA-N 1 0 257.355 1.223 20 10 CDCDRO CC[C@@H](C(N)=O)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399442 844301757 /nfs/dbraw/zinc/30/17/57/844301757.db2.gz JLTLICNGNDVEDU-AWEZNQCLSA-N 1 0 279.384 1.327 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(N(C)C)cc1 ZINC000305114713 844332922 /nfs/dbraw/zinc/33/29/22/844332922.db2.gz HLCZZOPJBYEDCK-HZPDHXFCSA-N 1 0 279.428 1.716 20 10 CDCDRO CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649273 844405534 /nfs/dbraw/zinc/40/55/34/844405534.db2.gz MTSWDGCIUQFCIH-QMTHXVAHSA-N 1 0 267.325 1.357 20 10 CDCDRO COc1ccc(N(C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000388372106 844497198 /nfs/dbraw/zinc/49/71/98/844497198.db2.gz PRWIVVQWIXPVLB-CQSZACIVSA-N 1 0 264.369 1.587 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000779192950 844636519 /nfs/dbraw/zinc/63/65/19/844636519.db2.gz RHBGJSIWQLBMLN-LBPRGKRZSA-N 1 0 261.300 1.832 20 10 CDCDRO CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647727 844525164 /nfs/dbraw/zinc/52/51/64/844525164.db2.gz JKALJCOBCXUCDS-LLVKDONJSA-N 1 0 293.367 1.525 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)c2c1c(F)ccc2O ZINC000858546952 844617248 /nfs/dbraw/zinc/61/72/48/844617248.db2.gz BJFPSVWJTNVURJ-NQBHXWOUSA-N 1 0 294.370 1.736 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)NC(N)=O)c1 ZINC000775365596 843009002 /nfs/dbraw/zinc/00/90/02/843009002.db2.gz WTDGWBIMMBPASK-VIFPVBQESA-N 1 0 295.339 1.027 20 10 CDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000827914020 843140173 /nfs/dbraw/zinc/14/01/73/843140173.db2.gz VOWKITAREPJZOG-IUODEOHRSA-N 1 0 287.407 1.683 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CC=CC2)cc1 ZINC000844163054 843286754 /nfs/dbraw/zinc/28/67/54/843286754.db2.gz USXCHCWUELXWJX-OAHLLOKOSA-N 1 0 273.380 1.835 20 10 CDCDRO CC[C@H]([NH2+]Cc1c(O)cccc1OC)C(=O)NC ZINC000825316140 843290674 /nfs/dbraw/zinc/29/06/74/843290674.db2.gz KRDUNJQIXNQLMC-JTQLQIEISA-N 1 0 252.314 1.015 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C)[NH3+])cc1 ZINC000827341170 843310276 /nfs/dbraw/zinc/31/02/76/843310276.db2.gz UBCJHGHPMAXTRI-LBPRGKRZSA-N 1 0 263.385 1.886 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CCF)c1 ZINC000846097469 843338669 /nfs/dbraw/zinc/33/86/69/843338669.db2.gz PILMMEXHLIZKMA-NXEZZACHSA-N 1 0 257.305 1.772 20 10 CDCDRO COc1ccc(CNC(=S)NCCC[NH+](C)C)c(O)c1 ZINC000795030632 843380469 /nfs/dbraw/zinc/38/04/69/843380469.db2.gz CPRZCTDWBXUYNX-UHFFFAOYSA-N 1 0 297.424 1.317 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000808228797 843405911 /nfs/dbraw/zinc/40/59/11/843405911.db2.gz LPWABBVWVRGKEQ-LLVKDONJSA-N 1 0 278.352 1.407 20 10 CDCDRO OC[C@]12C[C@H]1C[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000825628965 843422386 /nfs/dbraw/zinc/42/23/86/843422386.db2.gz OETXADPOSCURSY-GXFFZTMASA-N 1 0 298.180 1.969 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000841943966 843429879 /nfs/dbraw/zinc/42/98/79/843429879.db2.gz RXCRAVSUONXAJF-MFKMUULPSA-N 1 0 295.383 1.744 20 10 CDCDRO CCCOc1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000873107770 843589453 /nfs/dbraw/zinc/58/94/53/843589453.db2.gz QICRSVPKJUOVKO-KRWDZBQOSA-N 1 0 292.423 1.940 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)CSC)c1O ZINC000120679074 843634282 /nfs/dbraw/zinc/63/42/82/843634282.db2.gz IGVZMFSTTBRWJZ-AWEZNQCLSA-N 1 0 285.409 1.995 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000877515979 843852440 /nfs/dbraw/zinc/85/24/40/843852440.db2.gz AICAPHZSZHEQCR-HOCLYGCPSA-N 1 0 290.407 1.996 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1([S@](C)=O)CC1 ZINC000799348713 843870382 /nfs/dbraw/zinc/87/03/82/843870382.db2.gz LOUGFDZNAYJIRG-SFHVURJKSA-N 1 0 269.366 1.402 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000036331537 843874993 /nfs/dbraw/zinc/87/49/93/843874993.db2.gz LEVUSXAYHHILLS-JTQLQIEISA-N 1 0 299.392 1.629 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831044780 843888185 /nfs/dbraw/zinc/88/81/85/843888185.db2.gz MKVMNCWPKLMUNB-MRXNPFEDSA-N 1 0 290.411 1.612 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)CCOC2)c1 ZINC000397304559 843898753 /nfs/dbraw/zinc/89/87/53/843898753.db2.gz PPJQFVXDNSRUDM-CQSZACIVSA-N 1 0 251.326 1.917 20 10 CDCDRO C[N@@H+]1CCn2nc(NCc3cc(F)cc(F)c3O)cc2C1 ZINC000883200038 843946773 /nfs/dbraw/zinc/94/67/73/843946773.db2.gz YUUSWOYHNMVUOR-UHFFFAOYSA-N 1 0 294.305 1.924 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COCC2CC2)cc1 ZINC000832300149 843992704 /nfs/dbraw/zinc/99/27/04/843992704.db2.gz NHHGQTHFDVZHFM-HNNXBMFYSA-N 1 0 291.395 1.295 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCOCCO ZINC000840942753 844706962 /nfs/dbraw/zinc/70/69/62/844706962.db2.gz CIJVAOVCVPAQIA-UHFFFAOYSA-N 1 0 266.385 1.502 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](CO)OC[C@H]2C)c1O ZINC000848890189 844799201 /nfs/dbraw/zinc/79/92/01/844799201.db2.gz PUTWGJWVKSJTCI-BXUZGUMPSA-N 1 0 265.353 1.536 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c(O)c1 ZINC000877590002 844800966 /nfs/dbraw/zinc/80/09/66/844800966.db2.gz VOTVSQJREAWZMG-UONOGXRCSA-N 1 0 265.353 1.578 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CC[N+](=O)[O-])CC2)cc1 ZINC000929316459 844833503 /nfs/dbraw/zinc/83/35/03/844833503.db2.gz QQWRUXNSHLKKLU-UHFFFAOYSA-N 1 0 279.340 1.484 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000822520572 844867642 /nfs/dbraw/zinc/86/76/42/844867642.db2.gz HGXOEQPZXBTLSL-SWLSCSKDSA-N 1 0 276.380 1.927 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CC1(CO)CCOCC1 ZINC000708393996 844880230 /nfs/dbraw/zinc/88/02/30/844880230.db2.gz NHGRVHUVJFMWQD-UHFFFAOYSA-N 1 0 287.306 1.549 20 10 CDCDRO CCC[NH2+]CCNC(=O)NCc1ccc(OC)cc1O ZINC000841960490 844890119 /nfs/dbraw/zinc/89/01/19/844890119.db2.gz ADGPHFOKRKCGMW-UHFFFAOYSA-N 1 0 281.356 1.200 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[NH2+]C2CC2)c1 ZINC000237208182 844913086 /nfs/dbraw/zinc/91/30/86/844913086.db2.gz FULKGIREVSOSRM-SECBINFHSA-N 1 0 264.325 1.330 20 10 CDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000850408776 844945098 /nfs/dbraw/zinc/94/50/98/844945098.db2.gz FHQSQKXBDMAQIY-CVEARBPZSA-N 1 0 294.370 1.929 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCOC3)C2)cc1 ZINC000818219776 844987806 /nfs/dbraw/zinc/98/78/06/844987806.db2.gz DGZXJCQLYDVTIG-KBPBESRZSA-N 1 0 276.380 1.900 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(=O)NC1CC1 ZINC000840909586 845028781 /nfs/dbraw/zinc/02/87/81/845028781.db2.gz JJBLQEZWEKNWGK-UHFFFAOYSA-N 1 0 275.396 1.771 20 10 CDCDRO c1cc2c(cc1C[NH2+]C[C@H]1COCCO1)CCCO2 ZINC000921562134 845036520 /nfs/dbraw/zinc/03/65/20/845036520.db2.gz HSTRLBXSLJJVCV-AWEZNQCLSA-N 1 0 263.337 1.517 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(O)c1 ZINC000799347935 845038245 /nfs/dbraw/zinc/03/82/45/845038245.db2.gz SLHAOQYWFPRMDX-HZMBPMFUSA-N 1 0 278.352 1.405 20 10 CDCDRO CC(C)OCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299824 845040431 /nfs/dbraw/zinc/04/04/31/845040431.db2.gz JWKQQUNZLSXHAM-HNNXBMFYSA-N 1 0 293.411 1.684 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000822971270 845066471 /nfs/dbraw/zinc/06/64/71/845066471.db2.gz BLCSXJGLOJBNBX-ZDUSSCGKSA-N 1 0 278.352 1.587 20 10 CDCDRO OC[C@]12C[C@H]1C[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000783741157 845092263 /nfs/dbraw/zinc/09/22/63/845092263.db2.gz LADSUPAPDUPJSR-GXFFZTMASA-N 1 0 298.180 1.969 20 10 CDCDRO C[N@H+](CCC(=O)N1CCCC1)Cc1ccccc1O ZINC000838896750 845102274 /nfs/dbraw/zinc/10/22/74/845102274.db2.gz ZHABXNPJRUCUCP-UHFFFAOYSA-N 1 0 262.353 1.837 20 10 CDCDRO COc1ccc(O)c(CNC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000838473862 845165428 /nfs/dbraw/zinc/16/54/28/845165428.db2.gz COSSJXHMFFTFJR-JTQLQIEISA-N 1 0 281.356 1.150 20 10 CDCDRO CCC[NH2+]CCNCc1cccc(OCC)c1O ZINC000841047298 845232140 /nfs/dbraw/zinc/23/21/40/845232140.db2.gz ZKSSAQVGUOBHOI-UHFFFAOYSA-N 1 0 252.358 1.880 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000044351644 845238226 /nfs/dbraw/zinc/23/82/26/845238226.db2.gz AFQKCVUBWMZIIO-UHFFFAOYSA-N 1 0 263.385 1.759 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000133709587 845267860 /nfs/dbraw/zinc/26/78/60/845267860.db2.gz SWHKACLGBRNIDO-CHWSQXEVSA-N 1 0 291.395 1.327 20 10 CDCDRO CCCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CC[NH2+]C1 ZINC000843052473 845303099 /nfs/dbraw/zinc/30/30/99/845303099.db2.gz LYTSICHITSCJQE-CYBMUJFWSA-N 1 0 294.395 1.983 20 10 CDCDRO O=C(CC[NH2+]Cc1cc(Cl)ccc1O)N1CCOCC1 ZINC000134492966 845362209 /nfs/dbraw/zinc/36/22/09/845362209.db2.gz VEYDRKOAGWGXFZ-UHFFFAOYSA-N 1 0 298.770 1.384 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCn3ccnc3C1)OCO2 ZINC000778187655 845406867 /nfs/dbraw/zinc/40/68/67/845406867.db2.gz CANPOMBDSYGDQT-LLVKDONJSA-N 1 0 287.319 1.422 20 10 CDCDRO OC[C@H](CCF)[NH2+]Cc1ccc(Br)cc1O ZINC000826143153 845425412 /nfs/dbraw/zinc/42/54/12/845425412.db2.gz TZJPXQUTFDDHKF-JTQLQIEISA-N 1 0 292.148 1.965 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2COC[C@H]2OC)ccc1OC ZINC000842752769 845549215 /nfs/dbraw/zinc/54/92/15/845549215.db2.gz VPJYUPWBETXXQP-GDBMZVCRSA-N 1 0 295.379 1.735 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000863544662 845614319 /nfs/dbraw/zinc/61/43/19/845614319.db2.gz AVTAJHJWDZIPEM-GOEBONIOSA-N 1 0 277.412 1.782 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c1O ZINC000846142382 845658364 /nfs/dbraw/zinc/65/83/64/845658364.db2.gz SHGXLWSKEQJZDX-AAEUAGOBSA-N 1 0 295.379 1.839 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2c(O)cccc2Cl)CCCO1 ZINC000313356420 845660299 /nfs/dbraw/zinc/66/02/99/845660299.db2.gz QMDAMWWOULFWPQ-SNVBAGLBSA-N 1 0 270.760 1.595 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000305762960 845692212 /nfs/dbraw/zinc/69/22/12/845692212.db2.gz DCQWXNVQWXQKKX-CYBMUJFWSA-N 1 0 263.293 1.817 20 10 CDCDRO C[NH2+]CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817953457 845712027 /nfs/dbraw/zinc/71/20/27/845712027.db2.gz PANGARJQGCTGGV-LBPRGKRZSA-N 1 0 281.375 1.532 20 10 CDCDRO CCc1nncn1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834606192 845718382 /nfs/dbraw/zinc/71/83/82/845718382.db2.gz FSCDAXAIUABMME-LBPRGKRZSA-N 1 0 272.352 1.823 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1O ZINC000780950959 845829801 /nfs/dbraw/zinc/82/98/01/845829801.db2.gz PIOSHTHSUHKIJW-MNOVXSKESA-N 1 0 278.352 1.619 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000846677001 845867789 /nfs/dbraw/zinc/86/77/89/845867789.db2.gz MARMSTJWCYWFMW-RYUDHWBXSA-N 1 0 292.379 1.968 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@]2(C)CCOC2)cc1OC ZINC000776174535 845883013 /nfs/dbraw/zinc/88/30/13/845883013.db2.gz DXTXTPCXCBGAHF-HNNXBMFYSA-N 1 0 281.352 1.926 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000840974309 845973392 /nfs/dbraw/zinc/97/33/92/845973392.db2.gz FSTHFUVRXGRUNK-UHFFFAOYSA-N 1 0 291.395 1.902 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2ccc(C)cc2O)CCOC1 ZINC000877371966 846025070 /nfs/dbraw/zinc/02/50/70/846025070.db2.gz SFEVVVBDHTZWCU-AWEZNQCLSA-N 1 0 251.326 1.596 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 ZINC000856073469 846052877 /nfs/dbraw/zinc/05/28/77/846052877.db2.gz QWYOVTANPDXSMA-NSHDSACASA-N 1 0 278.352 1.620 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1O ZINC000841080733 846076224 /nfs/dbraw/zinc/07/62/24/846076224.db2.gz YCJDMXILAUWKDZ-RYUDHWBXSA-N 1 0 268.332 1.581 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843385991 846106829 /nfs/dbraw/zinc/10/68/29/846106829.db2.gz GJGSTYYHBCFERE-NHYWBVRUSA-N 1 0 292.354 1.918 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(F)ccc1O ZINC000840826350 846111724 /nfs/dbraw/zinc/11/17/24/846111724.db2.gz UMUFMVKPVPWGIM-ZJUUUORDSA-N 1 0 266.316 1.708 20 10 CDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000312405203 846130631 /nfs/dbraw/zinc/13/06/31/846130631.db2.gz PQGGHRISQUQBGI-OAHLLOKOSA-N 1 0 278.396 1.556 20 10 CDCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304283904 846151146 /nfs/dbraw/zinc/15/11/46/846151146.db2.gz KYVAEHVOQUTOKP-LBPRGKRZSA-N 1 0 282.359 1.523 20 10 CDCDRO CCOCCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648165 846192408 /nfs/dbraw/zinc/19/24/08/846192408.db2.gz ARSZOZREJOEVJR-LLVKDONJSA-N 1 0 266.341 1.196 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1O ZINC000069140513 846250216 /nfs/dbraw/zinc/25/02/16/846250216.db2.gz OLVQPSSVWTUEEG-GFCCVEGCSA-N 1 0 299.392 1.458 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1O ZINC000827699074 846257434 /nfs/dbraw/zinc/25/74/34/846257434.db2.gz DRNJGJHHQXOGHN-ABAIWWIYSA-N 1 0 265.353 1.851 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2)cc1 ZINC000863544689 846344109 /nfs/dbraw/zinc/34/41/09/846344109.db2.gz BITUBBKOHHIHMU-HIFRSBDPSA-N 1 0 277.412 1.782 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc2ccccc2c1O ZINC000323317391 846413095 /nfs/dbraw/zinc/41/30/95/846413095.db2.gz SOIWSMMHDIJNLE-VQISRLSMSA-N 1 0 273.332 1.956 20 10 CDCDRO C[C@H]([NH2+]CCN1CCNC1=O)c1c([O-])cccc1F ZINC000886747209 846424442 /nfs/dbraw/zinc/42/44/42/846424442.db2.gz NZCRCYVQRPBBCD-VIFPVBQESA-N 1 0 267.304 1.207 20 10 CDCDRO C[NH2+]CCCC(=O)NCCCSc1nccs1 ZINC000237162696 846577136 /nfs/dbraw/zinc/57/71/36/846577136.db2.gz RQXGXGBAAKWURQ-UHFFFAOYSA-N 1 0 273.427 1.741 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089744018 846578410 /nfs/dbraw/zinc/57/84/10/846578410.db2.gz BERDIIKDVSHZDZ-AWEZNQCLSA-N 1 0 275.396 1.711 20 10 CDCDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000883361841 846580193 /nfs/dbraw/zinc/58/01/93/846580193.db2.gz NKHIFYLMMGNWCO-QGZVFWFLSA-N 1 0 289.423 1.707 20 10 CDCDRO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045714 846652593 /nfs/dbraw/zinc/65/25/93/846652593.db2.gz OTJMIFVVWQPSAE-GLQYFDAESA-N 1 0 263.385 1.519 20 10 CDCDRO CCOC[C@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401822 846663624 /nfs/dbraw/zinc/66/36/24/846663624.db2.gz RTWBEMNHYPXTGP-OAHLLOKOSA-N 1 0 296.411 1.461 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956032 846707949 /nfs/dbraw/zinc/70/79/49/846707949.db2.gz OEKWFYFSLRUZCE-HUUCEWRRSA-N 1 0 296.436 1.757 20 10 CDCDRO COc1cccc(CN[C@@H](C)c2ncnn2C)c1O ZINC000788972192 846783237 /nfs/dbraw/zinc/78/32/37/846783237.db2.gz WXFMVMWQYILNCI-VIFPVBQESA-N 1 0 262.313 1.380 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2ccc3c(c2)CCCN3C)CCOC1 ZINC000160122129 846797962 /nfs/dbraw/zinc/79/79/62/846797962.db2.gz BGOBLSWAQUUIHZ-KRWDZBQOSA-N 1 0 290.407 1.964 20 10 CDCDRO C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843044996 846939441 /nfs/dbraw/zinc/93/94/41/846939441.db2.gz PFWYXRNTHUELNE-NSHDSACASA-N 1 0 252.333 1.963 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000877779886 847123863 /nfs/dbraw/zinc/12/38/63/847123863.db2.gz HHXVVOCTMQKAKN-GFCCVEGCSA-N 1 0 283.393 1.701 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000386378516 847129291 /nfs/dbraw/zinc/12/92/91/847129291.db2.gz SVINAVAEOLRSHN-UHFFFAOYSA-N 1 0 275.345 1.444 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccccc1O ZINC000870988729 847131879 /nfs/dbraw/zinc/13/18/79/847131879.db2.gz XZHLJDIEGHTXTM-APPZFPTMSA-N 1 0 258.268 1.552 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708501106 847209430 /nfs/dbraw/zinc/20/94/30/847209430.db2.gz AYXCOTRTMCJEIB-UHFFFAOYSA-N 1 0 293.335 1.585 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000230987752 847223451 /nfs/dbraw/zinc/22/34/51/847223451.db2.gz WUMXFULHCGLXOY-LLVKDONJSA-N 1 0 286.397 1.243 20 10 CDCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000790617120 847280617 /nfs/dbraw/zinc/28/06/17/847280617.db2.gz BQZAXHYMUBZIDH-NSHDSACASA-N 1 0 278.352 1.700 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H](O)CSC)CC2)cc1 ZINC000187730147 847329952 /nfs/dbraw/zinc/32/99/52/847329952.db2.gz PPWCZOATWKSGFL-AWEZNQCLSA-N 1 0 296.436 1.541 20 10 CDCDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226607954 847333439 /nfs/dbraw/zinc/33/34/39/847333439.db2.gz WKAJIIQVJLSFKD-UHFFFAOYSA-N 1 0 268.332 1.926 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1 ZINC000848566870 847338955 /nfs/dbraw/zinc/33/89/55/847338955.db2.gz LFQGMWZBKVKURL-CYBMUJFWSA-N 1 0 285.395 1.528 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+]C[C@H]2C)c1O ZINC000722384215 847345055 /nfs/dbraw/zinc/34/50/55/847345055.db2.gz CMBYBNWCRAASHA-LLVKDONJSA-N 1 0 250.342 1.585 20 10 CDCDRO CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])cc2)CC1 ZINC000828988592 847420213 /nfs/dbraw/zinc/42/02/13/847420213.db2.gz XOIJBNBSVHRMFO-CVEARBPZSA-N 1 0 287.407 1.886 20 10 CDCDRO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000852860118 847440553 /nfs/dbraw/zinc/44/05/53/847440553.db2.gz KNUPVDBAFHPQCF-HDJSIYSDSA-N 1 0 273.380 1.640 20 10 CDCDRO CC[S@@](=O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148194 847467198 /nfs/dbraw/zinc/46/71/98/847467198.db2.gz XQCFLJQXFVXPCM-MLCYQJTMSA-N 1 0 271.382 1.820 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)c(O)c1 ZINC000832177620 847560826 /nfs/dbraw/zinc/56/08/26/847560826.db2.gz CAMFCIYKZXSABT-LBPRGKRZSA-N 1 0 264.325 1.015 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N2CC(C[NH+](C)C)C2)cc1OC ZINC000853651556 847618525 /nfs/dbraw/zinc/61/85/25/847618525.db2.gz FQUFCWGDTIIYPO-UHFFFAOYSA-N 1 0 295.339 1.610 20 10 CDCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000782980004 847685737 /nfs/dbraw/zinc/68/57/37/847685737.db2.gz SDEHBVNAMVXWHQ-CHWSQXEVSA-N 1 0 296.386 1.911 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)[C@H](C)C[NH3+])CC2)cc1 ZINC000828352724 847722081 /nfs/dbraw/zinc/72/20/81/847722081.db2.gz CSELJIQOJGHMTL-GFCCVEGCSA-N 1 0 291.395 1.375 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846154545 847808346 /nfs/dbraw/zinc/80/83/46/847808346.db2.gz NSVDKMJLAHWSEQ-QWRGUYRKSA-N 1 0 290.363 1.815 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000160479518 895530839 /nfs/dbraw/zinc/53/08/39/895530839.db2.gz HJPSVFKSMKEUMB-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463092 896174753 /nfs/dbraw/zinc/17/47/53/896174753.db2.gz SDMRBPHCFNJUAN-UONOGXRCSA-N 1 0 285.771 1.611 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001168063988 906430287 /nfs/dbraw/zinc/43/02/87/906430287.db2.gz GMFVNYYYLJZBIZ-OLUVUFQESA-N 1 0 267.325 1.288 20 10 CDCDRO O=C1CC[C@@H]2C[C@H]([NH2+]Cc3ccc(O)c(O)c3)CCN12 ZINC001172158407 911390635 /nfs/dbraw/zinc/39/06/35/911390635.db2.gz VBRFETIQLIUOLZ-VXGBXAGGSA-N 1 0 276.336 1.341 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)ccc1N(C)C ZINC001139669572 936320055 /nfs/dbraw/zinc/32/00/55/936320055.db2.gz BEDUQKCRELTIOH-UKRRQHHQSA-N 1 0 266.360 1.966 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]([NH3+])C[C@H](F)C2)c(Cl)c1 ZINC001206445097 916905487 /nfs/dbraw/zinc/90/54/87/916905487.db2.gz NAWLLKPZMPASEF-DTWKUNHWSA-N 1 0 288.750 1.925 20 10 CDCDRO [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001137833127 936417727 /nfs/dbraw/zinc/41/77/27/936417727.db2.gz UINZNTNHYBXESB-SKDRFNHKSA-N 1 0 273.254 1.997 20 10 CDCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000152881791 918460542 /nfs/dbraw/zinc/46/05/42/918460542.db2.gz KJDWFGFMLAEMIZ-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)ccc1N(C)C ZINC001139669950 936634885 /nfs/dbraw/zinc/63/48/85/936634885.db2.gz RDQWFJGVPSZXBX-DLBZAZTESA-N 1 0 292.423 1.626 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1O ZINC001140180048 936684590 /nfs/dbraw/zinc/68/45/90/936684590.db2.gz HXMHVERNHWCDSB-INIZCTEOSA-N 1 0 274.364 1.721 20 10 CDCDRO COC(=O)C1(O)CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140184742 936685229 /nfs/dbraw/zinc/68/52/29/936685229.db2.gz GKWGAPDTWDBYBC-UHFFFAOYSA-N 1 0 293.363 1.509 20 10 CDCDRO O=C1N=CNC(=O)C1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140473301 936713625 /nfs/dbraw/zinc/71/36/25/936713625.db2.gz VLUZOPMYUNVOAC-UHFFFAOYSA-N 1 0 273.292 1.152 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1 ZINC001140620277 936732069 /nfs/dbraw/zinc/73/20/69/936732069.db2.gz ITMYYPBFVVGCIU-OLZOCXBDSA-N 1 0 260.337 1.221 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cc(C)ccc1O ZINC000689523677 936753982 /nfs/dbraw/zinc/75/39/82/936753982.db2.gz ANOPKTHQWQXMAQ-UHFFFAOYSA-N 1 0 252.314 1.488 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC001140749867 936749459 /nfs/dbraw/zinc/74/94/59/936749459.db2.gz ONGQDFHJKVZRFF-ZDUSSCGKSA-N 1 0 288.351 1.835 20 10 CDCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140748766 936749494 /nfs/dbraw/zinc/74/94/94/936749494.db2.gz RFXSOCGNNXPLLE-CZUORRHYSA-N 1 0 293.363 1.501 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(O)c(C)c2O)C[C@@H]1C ZINC001140747668 936749559 /nfs/dbraw/zinc/74/95/59/936749559.db2.gz HZZWTVREAHPZOW-JTQLQIEISA-N 1 0 278.352 1.459 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1O ZINC001140748408 936749595 /nfs/dbraw/zinc/74/95/95/936749595.db2.gz ZBOVHHQWAOJILE-GAJTVXKRSA-N 1 0 263.337 1.873 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1O ZINC001140749259 936749640 /nfs/dbraw/zinc/74/96/40/936749640.db2.gz UMLFJARKXOFNNE-LBPRGKRZSA-N 1 0 298.333 1.931 20 10 CDCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000689524406 936761284 /nfs/dbraw/zinc/76/12/84/936761284.db2.gz DWKYDXCPOMZSCY-JTQLQIEISA-N 1 0 282.340 1.750 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC001141030773 936794809 /nfs/dbraw/zinc/79/48/09/936794809.db2.gz KQBLADCWXOAGCP-LLVKDONJSA-N 1 0 294.351 1.120 20 10 CDCDRO CCN(CC[NH+](C)C)Cc1c(O)cc(OC)cc1OC ZINC001141032240 936795523 /nfs/dbraw/zinc/79/55/23/936795523.db2.gz WVWLPFMUTDPSFS-UHFFFAOYSA-N 1 0 282.384 1.793 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2cc(O)ccc2O)CC1 ZINC001141155750 936821430 /nfs/dbraw/zinc/82/14/30/936821430.db2.gz ISXGREDBYBDUSL-UHFFFAOYSA-N 1 0 250.342 1.625 20 10 CDCDRO Cc1noc([C@@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)n1 ZINC001141160489 936823156 /nfs/dbraw/zinc/82/31/56/936823156.db2.gz DFMZVMKSSRTORC-SNVBAGLBSA-N 1 0 275.308 1.779 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000227981999 936842815 /nfs/dbraw/zinc/84/28/15/936842815.db2.gz NDMYGBJYQKDGIV-YOEHRIQHSA-N 1 0 290.407 1.916 20 10 CDCDRO COc1cc(C(=O)Nc2cccnc2C[NH3+])cc(O)c1O ZINC001193119579 923464418 /nfs/dbraw/zinc/46/44/18/923464418.db2.gz ISZBAJSCSXISCS-UHFFFAOYSA-N 1 0 289.291 1.212 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205842940 925445170 /nfs/dbraw/zinc/44/51/70/925445170.db2.gz QAXSSHGPNCIMNG-AAEUAGOBSA-N 1 0 294.395 1.969 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001143104743 937120823 /nfs/dbraw/zinc/12/08/23/937120823.db2.gz YZNZIYGCNKEJSP-ZFWWWQNUSA-N 1 0 293.407 1.865 20 10 CDCDRO [NH3+]C[C@H]1CCCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001206633700 937227800 /nfs/dbraw/zinc/22/78/00/937227800.db2.gz ZLWWYYJJPRLYJK-SNVBAGLBSA-N 1 0 266.341 1.364 20 10 CDCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)S(C)(=O)=O ZINC000697579639 937283740 /nfs/dbraw/zinc/28/37/40/937283740.db2.gz HGDDKYOEGOTNFJ-BDAKNGLRSA-N 1 0 275.345 1.615 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(F)ccc1O ZINC000697579641 937284171 /nfs/dbraw/zinc/28/41/71/937284171.db2.gz HGDDKYOEGOTNFJ-DTWKUNHWSA-N 1 0 275.345 1.615 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)CS(C)(=O)=O)c1O ZINC000691499955 929064760 /nfs/dbraw/zinc/06/47/60/929064760.db2.gz LFWLBNITKHBQKH-JTQLQIEISA-N 1 0 271.382 1.477 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499198 931858842 /nfs/dbraw/zinc/85/88/42/931858842.db2.gz DSIPKBKXPFAYQT-VIFPVBQESA-N 1 0 281.308 1.188 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001144499117 931858939 /nfs/dbraw/zinc/85/89/39/931858939.db2.gz ADKCIZDACKOUSR-QMMMGPOBSA-N 1 0 289.278 1.253 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001144503852 931863987 /nfs/dbraw/zinc/86/39/87/931863987.db2.gz GBHIXADUEZXEHH-OVYXKVPISA-N 1 0 253.273 1.593 20 10 CDCDRO CCO[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509104 931874345 /nfs/dbraw/zinc/87/43/45/931874345.db2.gz LCRSPKQBQCYXGH-NSHDSACASA-N 1 0 267.325 1.804 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@H]1C ZINC001144514784 931876950 /nfs/dbraw/zinc/87/69/50/931876950.db2.gz RUFURCOBIKCLQT-ONGXEEELSA-N 1 0 295.335 1.577 20 10 CDCDRO CC(C)[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144515603 931880345 /nfs/dbraw/zinc/88/03/45/931880345.db2.gz SBCCUJXLNMEAER-AWEZNQCLSA-N 1 0 267.325 1.660 20 10 CDCDRO CC(C)C(=O)N1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144516368 931881406 /nfs/dbraw/zinc/88/14/06/931881406.db2.gz WMHIHBGROCTCMA-UHFFFAOYSA-N 1 0 294.351 1.104 20 10 CDCDRO COC[C@](C)(CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118987588 937684987 /nfs/dbraw/zinc/68/49/87/937684987.db2.gz WRHXCODUSZZTAL-AWEZNQCLSA-N 1 0 288.338 1.518 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(O)c1 ZINC000795581239 934880456 /nfs/dbraw/zinc/88/04/56/934880456.db2.gz GSIKJWVKZDNSRI-UONOGXRCSA-N 1 0 295.379 1.526 20 10 CDCDRO CN(C)c1ccc(CN(C)c2ncnc3c2CC[NH2+]C3)cc1 ZINC001156924047 938435166 /nfs/dbraw/zinc/43/51/66/938435166.db2.gz MSABWCGOQTVAKT-UHFFFAOYSA-N 1 0 297.406 1.825 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c1 ZINC001206668886 938713691 /nfs/dbraw/zinc/71/36/91/938713691.db2.gz WPKWEAGOPOYBIZ-GFCCVEGCSA-N 1 0 256.296 1.869 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c(O)c1 ZINC001203635446 939699076 /nfs/dbraw/zinc/69/90/76/939699076.db2.gz VEKJDWYGPCRMTB-ZDUSSCGKSA-N 1 0 290.363 1.598 20 10 CDCDRO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)cc1O ZINC001203875989 939710577 /nfs/dbraw/zinc/71/05/77/939710577.db2.gz ZOQALNBVZZWGPG-WDEREUQCSA-N 1 0 255.289 1.393 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881305 939711304 /nfs/dbraw/zinc/71/13/04/939711304.db2.gz OWAONQFAJHIRBY-GFCCVEGCSA-N 1 0 264.325 1.150 20 10 CDCDRO COCCC[NH+]1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203882558 939711534 /nfs/dbraw/zinc/71/15/34/939711534.db2.gz LMJPHYCKBPTUHC-UHFFFAOYSA-N 1 0 280.368 1.252 20 10 CDCDRO OC[C@@]1(F)CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204276977 939750997 /nfs/dbraw/zinc/75/09/97/939750997.db2.gz UVYQGWNRBBYNMZ-CQSZACIVSA-N 1 0 269.316 1.784 20 10 CDCDRO COc1cc(C[NH+]2CCC3(CC2)OCCO3)cc(O)c1O ZINC001204346223 939758226 /nfs/dbraw/zinc/75/82/26/939758226.db2.gz HCELWMFHXROESZ-UHFFFAOYSA-N 1 0 295.335 1.445 20 10 CDCDRO COc1cc(CN2CCC[C@H](C(C)=O)C2)cc(O)c1O ZINC001204346608 939759432 /nfs/dbraw/zinc/75/94/32/939759432.db2.gz VEIQUIFDWOPGNR-LBPRGKRZSA-N 1 0 279.336 1.907 20 10 CDCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001205241288 939841456 /nfs/dbraw/zinc/84/14/56/939841456.db2.gz SJWQGBZTICFOIK-CQSZACIVSA-N 1 0 286.322 1.346 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206065061 939973655 /nfs/dbraw/zinc/97/36/55/939973655.db2.gz KAEDYBYYDGMBMQ-BXUZGUMPSA-N 1 0 263.385 1.540 20 10 CDCDRO CN1CCCc2cc(CN3C[C@@H]([NH3+])C[C@H](F)C3)ccc21 ZINC001206414592 940034791 /nfs/dbraw/zinc/03/47/91/940034791.db2.gz NNGIMMQETKXGSU-GJZGRUSLSA-N 1 0 277.387 1.940 20 10 CDCDRO COc1cc(CN2CCCC[C@H](C[NH3+])C2)cc(O)c1O ZINC001206616414 940071561 /nfs/dbraw/zinc/07/15/61/940071561.db2.gz NWBDYDRAXZPOTF-LLVKDONJSA-N 1 0 280.368 1.667 20 10 CDCDRO CC1(C[NH3+])CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001206730044 940082768 /nfs/dbraw/zinc/08/27/68/940082768.db2.gz ODLMXYFRQYLHJZ-UHFFFAOYSA-N 1 0 256.733 1.532 20 10 CDCDRO Oc1ccc(CN2CCC[C@@]23CCC[NH2+]C3)cc1O ZINC001222236789 941577319 /nfs/dbraw/zinc/57/73/19/941577319.db2.gz BDCYFOHJSPHIJL-OAHLLOKOSA-N 1 0 262.353 1.816 20 10 CDCDRO Oc1cccc(F)c1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497394 941602448 /nfs/dbraw/zinc/60/24/48/941602448.db2.gz HLDNSMXIVIIMKI-KBPBESRZSA-N 1 0 279.359 1.057 20 10 CDCDRO CCOc1ccc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC001276926080 941702720 /nfs/dbraw/zinc/70/27/20/941702720.db2.gz NBKKNRUSKALXFA-GJZGRUSLSA-N 1 0 262.353 1.605 20 10 CDCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@H]21 ZINC001231454289 942898244 /nfs/dbraw/zinc/89/82/44/942898244.db2.gz PKKYFEHSPRLIAD-TZMCWYRMSA-N 1 0 290.363 1.616 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1O ZINC001231592418 942938732 /nfs/dbraw/zinc/93/87/32/942938732.db2.gz QGUGUTIPCNOOOJ-BPLDGKMQSA-N 1 0 277.364 1.672 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(N3CCOCC3)CC2)c1O ZINC001231590971 942938892 /nfs/dbraw/zinc/93/88/92/942938892.db2.gz MNDPZRMMZUSFBK-UHFFFAOYSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(O)cc1O ZINC001231634419 942948840 /nfs/dbraw/zinc/94/88/40/942948840.db2.gz MROOQBFSPMJQIB-HNNXBMFYSA-N 1 0 299.342 1.793 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(O)cc1O ZINC001231635455 942949238 /nfs/dbraw/zinc/94/92/38/942949238.db2.gz ZTYGOZZGJFHJBC-SCZZXKLOSA-N 1 0 255.289 1.896 20 10 CDCDRO COc1cc(CN2CC[NH+](C(C)C)CC2)c(O)cc1O ZINC001231633928 942949257 /nfs/dbraw/zinc/94/92/57/942949257.db2.gz DSHUJHRZLHJWSP-UHFFFAOYSA-N 1 0 280.368 1.632 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(O)cc1O ZINC001231635193 942950877 /nfs/dbraw/zinc/95/08/77/942950877.db2.gz WDTLIKWWCCCSFI-NOZJJQNGSA-N 1 0 267.325 1.309 20 10 CDCDRO COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(O)cc1O ZINC001231636933 942951249 /nfs/dbraw/zinc/95/12/49/942951249.db2.gz BKADGPAAQWNAFV-CMPLNLGQSA-N 1 0 278.352 1.242 20 10 CDCDRO COc1cc(CN2CC[C@H]([N@H+](C)C3CC3)C2)c(O)cc1O ZINC001231639148 942956860 /nfs/dbraw/zinc/95/68/60/942956860.db2.gz MFAQQIBTKJMSIH-ZDUSSCGKSA-N 1 0 292.379 1.775 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](CC(N)=O)O[C@H]3C2)c(O)c1 ZINC001277566860 943015227 /nfs/dbraw/zinc/01/52/27/943015227.db2.gz BZSNNBIXAZEYHW-IPYPFGDCSA-N 1 0 290.363 1.165 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCC3(C2)OCCO3)c(O)c1 ZINC001231845938 943025738 /nfs/dbraw/zinc/02/57/38/943025738.db2.gz VNNNTWLXRLKOFZ-UHFFFAOYSA-N 1 0 263.337 1.958 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001232842102 943417507 /nfs/dbraw/zinc/41/75/07/943417507.db2.gz ZUBQHXZKLFEUSM-HNNXBMFYSA-N 1 0 262.353 1.823 20 10 CDCDRO Oc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc(O)c1O ZINC001233011049 943462451 /nfs/dbraw/zinc/46/24/51/943462451.db2.gz YHQJJLULMJACIQ-RISCZKNCSA-N 1 0 279.336 1.804 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@H]12 ZINC001233017636 943465959 /nfs/dbraw/zinc/46/59/59/943465959.db2.gz IWGMNJCQDFBURR-QWRGUYRKSA-N 1 0 277.320 1.604 20 10 CDCDRO C[NH+](C)[C@H]1CCN(Cc2c(O)ccc(F)c2F)C1 ZINC001233331884 943546309 /nfs/dbraw/zinc/54/63/09/943546309.db2.gz ORRJFTBWHMFDLF-VIFPVBQESA-N 1 0 256.296 1.806 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCC[C@H](O)CC2)cc1O ZINC001233483278 943592862 /nfs/dbraw/zinc/59/28/62/943592862.db2.gz UBMLRZDRIUHQOF-JTQLQIEISA-N 1 0 253.298 1.150 20 10 CDCDRO CC[N@H+](Cc1cc(O)c(O)cc1O)C1CCOCC1 ZINC001233485204 943593088 /nfs/dbraw/zinc/59/30/88/943593088.db2.gz MVHQSIUFGXUHQU-UHFFFAOYSA-N 1 0 267.325 1.804 20 10 CDCDRO C[NH2+]C1(C(=O)NCc2ccc(N(C)C)cc2)CCC1 ZINC000388709199 944152650 /nfs/dbraw/zinc/15/26/50/944152650.db2.gz XDCYRDJSMZHEHI-UHFFFAOYSA-N 1 0 261.369 1.511 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235988212 944352529 /nfs/dbraw/zinc/35/25/29/944352529.db2.gz FNGAYYBCDOYSSZ-CJNGLKHVSA-N 1 0 275.396 1.684 20 10 CDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc(F)c(F)cc1O)C2 ZINC001235997020 944365486 /nfs/dbraw/zinc/36/54/86/944365486.db2.gz ZBPWIRNJCZGWGZ-RNCFNFMXSA-N 1 0 254.280 1.594 20 10 CDCDRO COC(=O)Cc1ccc(CN(C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236124382 944410635 /nfs/dbraw/zinc/41/06/35/944410635.db2.gz LWNOTTNGLUOXGT-AWEZNQCLSA-N 1 0 292.379 1.292 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(OC)c1 ZINC001236290612 944449113 /nfs/dbraw/zinc/44/91/13/944449113.db2.gz TXBFSAKCCARKTL-HOCLYGCPSA-N 1 0 289.423 1.945 20 10 CDCDRO Cc1cc(Br)c(O)c(CN2C[C@@H]3C[NH2+]C[C@H]32)c1 ZINC001236291630 944449639 /nfs/dbraw/zinc/44/96/39/944449639.db2.gz MJTXDAITZVAIEK-CMPLNLGQSA-N 1 0 297.196 1.867 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](O)C2)cc1OC ZINC001236749331 944555529 /nfs/dbraw/zinc/55/55/29/944555529.db2.gz GNWNKTGCLVBPCF-GFCCVEGCSA-N 1 0 281.352 1.756 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC001237041838 944644052 /nfs/dbraw/zinc/64/40/52/944644052.db2.gz MZTBXHLNOLKRGN-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@@H](O)C1 ZINC001237119395 944660591 /nfs/dbraw/zinc/66/05/91/944660591.db2.gz HNKOZXPVRXGCTH-MRVPVSSYSA-N 1 0 277.242 1.857 20 10 CDCDRO NC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237119063 944661351 /nfs/dbraw/zinc/66/13/51/944661351.db2.gz AHWSGVSPSPRALP-QMMMGPOBSA-N 1 0 286.734 1.882 20 10 CDCDRO COc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237668374 944917312 /nfs/dbraw/zinc/91/73/12/944917312.db2.gz DCPKOVFEMHTYBJ-CABZTGNLSA-N 1 0 267.325 1.222 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238058278 945043612 /nfs/dbraw/zinc/04/36/12/945043612.db2.gz PQDRIEIQTBFRSJ-UHFFFAOYSA-N 1 0 280.343 1.894 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+](C)[C@H]2CCN(C)C2)c1O ZINC001238062830 945044854 /nfs/dbraw/zinc/04/48/54/945044854.db2.gz SKWIISUUJWLIRD-ZDUSSCGKSA-N 1 0 252.333 1.976 20 10 CDCDRO Cn1ccc(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)cc1=O ZINC001241002184 946142472 /nfs/dbraw/zinc/14/24/72/946142472.db2.gz VJFBTXLPADNZLM-GFCCVEGCSA-N 1 0 295.346 1.172 20 10 CDCDRO COC(=O)CC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258345825 948767323 /nfs/dbraw/zinc/76/73/23/948767323.db2.gz KKIVRYBYKGTGOQ-NOZJJQNGSA-N 1 0 283.324 1.063 20 10 CDCDRO CC(C)(C)OC(=O)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253701725 952047838 /nfs/dbraw/zinc/04/78/38/952047838.db2.gz QZXAFEXZRYFDIZ-ZDUSSCGKSA-N 1 0 293.363 1.414 20 10 CDCDRO Nc1ccc(CCn2cc(-c3c[nH+]ccc3N)nn2)cc1 ZINC001254081061 952187300 /nfs/dbraw/zinc/18/73/00/952187300.db2.gz JRRQWFPMTRXWOH-UHFFFAOYSA-N 1 0 280.335 1.578 20 10 CDCDRO C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCN1C ZINC001324693844 953524112 /nfs/dbraw/zinc/52/41/12/953524112.db2.gz RUCRDIQNPWTGDK-QMMMGPOBSA-N 1 0 268.288 1.013 20 10 CDCDRO C[C@@H](NC(=O)NCCCC[NH3+])c1ccccc1O ZINC001332542450 957616880 /nfs/dbraw/zinc/61/68/80/957616880.db2.gz JRBRRWSECGKYKK-SNVBAGLBSA-N 1 0 251.330 1.491 20 10 CDCDRO C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)n1ccnc1 ZINC001320690107 959328483 /nfs/dbraw/zinc/32/84/83/959328483.db2.gz DYLGZRCTISGXLS-WDEREUQCSA-N 1 0 289.335 1.603 20 10 CDCDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001334951710 959484249 /nfs/dbraw/zinc/48/42/49/959484249.db2.gz LKQAISYONXWKSS-CMPLNLGQSA-N 1 0 283.368 1.906 20 10 CDCDRO C[C@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)C[NH2+]1 ZINC001336290219 960290208 /nfs/dbraw/zinc/29/02/08/960290208.db2.gz KCUWQIFZBHBZCU-QWRGUYRKSA-N 1 0 262.357 1.161 20 10 CDCDRO C[C@H]1Cn2nc(C(=O)NCc3ccccc3O)cc2CN1 ZINC001340955564 963210189 /nfs/dbraw/zinc/21/01/89/963210189.db2.gz CHOMMVOZOGGQKD-JTQLQIEISA-N 1 0 286.335 1.010 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001341721159 963521925 /nfs/dbraw/zinc/52/19/25/963521925.db2.gz JGJCPOROZDPZMC-GRYCIOLGSA-N 1 0 292.379 1.966 20 10 CDCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345189565 964627882 /nfs/dbraw/zinc/62/78/82/964627882.db2.gz AIWHAICUXDUHIO-SJORKVTESA-N 1 0 292.423 1.898 20 10 CDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N)cc1 ZINC001356619754 969444120 /nfs/dbraw/zinc/44/41/20/969444120.db2.gz SSFKIKGVCVLPKO-GFCCVEGCSA-N 1 0 278.400 1.798 20 10 CDCDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001575006627 1171080978 /nfs/dbraw/zinc/08/09/78/1171080978.db2.gz OZUDAHSNVFLUDO-HNNXBMFYSA-N 1 0 261.369 1.759 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001576051414 1171323752 /nfs/dbraw/zinc/32/37/52/1171323752.db2.gz BMDPWALCDQSXQR-IINYFYTJSA-N 1 0 294.395 1.909 20 10 CDCDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)NCc1c(O)cccc1F ZINC001576481348 1171434400 /nfs/dbraw/zinc/43/44/00/1171434400.db2.gz XXFNUDISEASIIX-CYBMUJFWSA-N 1 0 295.358 1.719 20 10 CDCDRO COc1ccc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179952773 342515180 /nfs/dbraw/zinc/51/51/80/342515180.db2.gz OWGLYICCKHQHPC-CYBMUJFWSA-N 1 0 262.353 1.681 20 10 CDCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cccc(O)c31)CC2 ZINC000297773032 282127946 /nfs/dbraw/zinc/12/79/46/282127946.db2.gz PFNUWXVWUBWUCQ-OLZOCXBDSA-N 1 0 284.363 1.884 20 10 CDCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093888093 342427038 /nfs/dbraw/zinc/42/70/38/342427038.db2.gz HVETWTOKFNHTBI-CQSZACIVSA-N 1 0 267.300 1.788 20 10 CDCDRO COCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551041 356547903 /nfs/dbraw/zinc/54/79/03/356547903.db2.gz ZHIREPSNSCRSLT-LBPRGKRZSA-N 1 0 282.359 1.959 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc(OC)ccc1O ZINC000179825797 357224966 /nfs/dbraw/zinc/22/49/66/357224966.db2.gz IYCCBCZQWWMSSC-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C[N@@H+]1C1CC1 ZINC000185819883 357581233 /nfs/dbraw/zinc/58/12/33/357581233.db2.gz AWOWDZAFPOIYCB-UWVGGRQHSA-N 1 0 276.336 1.453 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC001579723908 1172248185 /nfs/dbraw/zinc/24/81/85/1172248185.db2.gz UMFIIDVNYYROEL-WCQYABFASA-N 1 0 277.368 1.627 20 10 CDCDRO OCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOCC1 ZINC000296973732 200050410 /nfs/dbraw/zinc/05/04/10/200050410.db2.gz RRZHQMNPEWDRKR-CYBMUJFWSA-N 1 0 277.364 1.758 20 10 CDCDRO OCCCN1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297193899 200110958 /nfs/dbraw/zinc/11/09/58/200110958.db2.gz FOZHBGDDIRMHIB-GJZGRUSLSA-N 1 0 290.407 1.816 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000156070882 361711933 /nfs/dbraw/zinc/71/19/33/361711933.db2.gz ARVZAFCHVHNGBX-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000269556922 364240888 /nfs/dbraw/zinc/24/08/88/364240888.db2.gz ZLMZPDZYBLWBBE-CQSZACIVSA-N 1 0 261.369 1.415 20 10 CDCDRO Oc1cc2c(cc1CN1C[C@@H]3CCC[NH2+][C@@H]3C1)OCO2 ZINC000271159148 364951425 /nfs/dbraw/zinc/95/14/25/364951425.db2.gz CRHNTUALLBTRLK-CMPLNLGQSA-N 1 0 276.336 1.305 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281239580 367611487 /nfs/dbraw/zinc/61/14/87/367611487.db2.gz LPRGOTFVPDDQMR-YPMHNXCESA-N 1 0 292.335 1.331 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(C)cc1O ZINC000530222523 368150751 /nfs/dbraw/zinc/15/07/51/368150751.db2.gz FZOPDYZHXIIFOK-JSGCOSHPSA-N 1 0 264.369 1.730 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000287929875 369354018 /nfs/dbraw/zinc/35/40/18/369354018.db2.gz DRFCOMAFIWTNJK-ZDUSSCGKSA-N 1 0 292.427 1.844 20 10 CDCDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000295118779 371132673 /nfs/dbraw/zinc/13/26/73/371132673.db2.gz MVLBXJJXDMTCEO-GFCCVEGCSA-N 1 0 264.325 1.665 20 10 CDCDRO Cc1cccc(C[NH2+]CCNC(=O)C(C)C)c1O ZINC000124663808 374829247 /nfs/dbraw/zinc/82/92/47/374829247.db2.gz NNLXZUYDQAIDHT-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000128073802 375101823 /nfs/dbraw/zinc/10/18/23/375101823.db2.gz GTIJTWJQFYIIJE-SNVBAGLBSA-N 1 0 272.142 1.721 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1 ZINC000106857954 390557833 /nfs/dbraw/zinc/55/78/33/390557833.db2.gz OBCLBZROEQRQCR-JTQLQIEISA-N 1 0 251.282 1.342 20 10 CDCDRO COc1cccc(C[NH2+]CCC(=O)N2CCCCC2)c1O ZINC000134492228 393264328 /nfs/dbraw/zinc/26/43/28/393264328.db2.gz FHWOFXKCMHSJLQ-UHFFFAOYSA-N 1 0 292.379 1.893 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@](C)(O)CSC)c1O ZINC000120633761 412407660 /nfs/dbraw/zinc/40/76/60/412407660.db2.gz JUMGRYBATWGEBL-CYBMUJFWSA-N 1 0 271.382 1.604 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000038082637 174091997 /nfs/dbraw/zinc/09/19/97/174091997.db2.gz FHBGCKWSUQTKMO-WDEREUQCSA-N 1 0 269.366 1.478 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(N)cc1 ZINC000092621283 260271112 /nfs/dbraw/zinc/27/11/12/260271112.db2.gz IQNWLRGCEVDCMW-OAHLLOKOSA-N 1 0 275.396 1.754 20 10 CDCDRO CC(C)[NH+](CCNC(=O)c1cccc(O)c1O)C(C)C ZINC000126199270 260346969 /nfs/dbraw/zinc/34/69/69/260346969.db2.gz HIOTUHTUQQPKFF-UHFFFAOYSA-N 1 0 280.368 1.946 20 10 CDCDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C1CC1 ZINC000105488052 261359603 /nfs/dbraw/zinc/35/96/03/261359603.db2.gz SFXJSOLNPDBJEG-JTQLQIEISA-N 1 0 278.352 1.693 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000131014434 264365756 /nfs/dbraw/zinc/36/57/56/264365756.db2.gz PWGNOOFMSVJWMT-ZDUSSCGKSA-N 1 0 279.409 1.023 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000377275582 268063014 /nfs/dbraw/zinc/06/30/14/268063014.db2.gz AKQRPADTWJMQMQ-ZDUSSCGKSA-N 1 0 258.325 1.739 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000273734618 328206158 /nfs/dbraw/zinc/20/61/58/328206158.db2.gz KVUDUDAQSNXWQA-AWEZNQCLSA-N 1 0 289.379 1.737 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378452021 329050894 /nfs/dbraw/zinc/05/08/94/329050894.db2.gz FYQFHEABFRCLSC-CZUORRHYSA-N 1 0 293.363 1.829 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000378452016 329051001 /nfs/dbraw/zinc/05/10/01/329051001.db2.gz FYQFHEABFRCLSC-BBRMVZONSA-N 1 0 293.363 1.829 20 10 CDCDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000378501563 329053298 /nfs/dbraw/zinc/05/32/98/329053298.db2.gz TUEQBOYSMCSZET-CYBMUJFWSA-N 1 0 293.342 1.521 20 10 CDCDRO CN1CC[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272386174 1161083869 /nfs/dbraw/zinc/08/38/69/1161083869.db2.gz BEABKXCHURRSRK-OAHLLOKOSA-N 1 0 276.336 1.152 20 10 CDCDRO CC(C)([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000269267050 519295376 /nfs/dbraw/zinc/29/53/76/519295376.db2.gz ZRQWOFIRMKUGMW-UHFFFAOYSA-N 1 0 261.369 1.640 20 10 CDCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000279907010 519553293 /nfs/dbraw/zinc/55/32/93/519553293.db2.gz WKOOZCJJUYZZBH-GFCCVEGCSA-N 1 0 280.343 1.879 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000289709451 520891266 /nfs/dbraw/zinc/89/12/66/520891266.db2.gz OUYSHVFMGPUAIX-HZPDHXFCSA-N 1 0 278.396 1.724 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280562086 521146775 /nfs/dbraw/zinc/14/67/75/521146775.db2.gz VABMWFLWWSLMPB-AWEZNQCLSA-N 1 0 265.353 1.994 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COC[C@@H]2OC)c1 ZINC000289895409 521155517 /nfs/dbraw/zinc/15/55/17/521155517.db2.gz SXJMEWMJHFMENO-JSGCOSHPSA-N 1 0 267.325 1.294 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000292844234 521744456 /nfs/dbraw/zinc/74/44/56/521744456.db2.gz BJWZAYNFHMSXLQ-ZDUSSCGKSA-N 1 0 280.368 1.651 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1F ZINC000127220185 522179536 /nfs/dbraw/zinc/17/95/36/522179536.db2.gz HQSKXIHJWGNCDY-GFCCVEGCSA-N 1 0 252.333 1.706 20 10 CDCDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)[C@H]1CCCO1 ZINC000279386539 522750064 /nfs/dbraw/zinc/75/00/64/522750064.db2.gz JVKSHXKHLAFBAH-UONOGXRCSA-N 1 0 265.353 1.984 20 10 CDCDRO COCCOCC[NH2+]Cc1c(O)cccc1Cl ZINC000083552204 524009653 /nfs/dbraw/zinc/00/96/53/524009653.db2.gz ZHTFYSRRAYVDRT-UHFFFAOYSA-N 1 0 259.733 1.798 20 10 CDCDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2O)C1 ZINC000278707124 524037652 /nfs/dbraw/zinc/03/76/52/524037652.db2.gz OHUYZHIQRQCOMO-ZFWWWQNUSA-N 1 0 295.379 1.238 20 10 CDCDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c(=O)n1C ZINC000278674373 524583410 /nfs/dbraw/zinc/58/34/10/524583410.db2.gz HOGMBMFIOJPZMH-UHFFFAOYSA-N 1 0 284.359 1.918 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(O)c1O ZINC000279305002 524919055 /nfs/dbraw/zinc/91/90/55/524919055.db2.gz NUBJQVXTOIGKOL-SKDRFNHKSA-N 1 0 276.336 1.310 20 10 CDCDRO C[C@H]([NH2+]CCOCCO)c1ccc(N(C)C)cc1 ZINC000037239920 525358753 /nfs/dbraw/zinc/35/87/53/525358753.db2.gz YNWAPLWXMJABFH-LBPRGKRZSA-N 1 0 252.358 1.412 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(F)ccc1O ZINC000094618240 525505882 /nfs/dbraw/zinc/50/58/82/525505882.db2.gz DDGDQEYVHYGYTN-YPMHNXCESA-N 1 0 281.375 1.428 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000265655675 526363004 /nfs/dbraw/zinc/36/30/04/526363004.db2.gz YLNHWVUOWZKOOC-CQSZACIVSA-N 1 0 285.771 1.923 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c(O)c1 ZINC000770383456 575443370 /nfs/dbraw/zinc/44/33/70/575443370.db2.gz VLBWQODCJMEJTG-XHDPSFHLSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@@H]1O ZINC000770380816 575475615 /nfs/dbraw/zinc/47/56/15/575475615.db2.gz NPVFPINRFOTTPU-MFKMUULPSA-N 1 0 251.326 1.604 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CCOCCO)c2c1c(F)ccc2O ZINC000756360800 575794002 /nfs/dbraw/zinc/79/40/02/575794002.db2.gz DZJQJJDRAAUMPI-MWLCHTKSSA-N 1 0 269.316 1.678 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000773764128 575838206 /nfs/dbraw/zinc/83/82/06/575838206.db2.gz XNNXGTQEOQBANW-ZYHUDNBSSA-N 1 0 278.352 1.097 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@]2(OC)CCOC2)cc1OC ZINC000764681727 575933708 /nfs/dbraw/zinc/93/37/08/575933708.db2.gz HPJAZJULMOJVPA-OAHLLOKOSA-N 1 0 297.351 1.305 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(O)CC2)c(O)c1 ZINC000768183150 576263056 /nfs/dbraw/zinc/26/30/56/576263056.db2.gz MSEWCBOGCGXBGM-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCNC1=O ZINC000768465994 576287944 /nfs/dbraw/zinc/28/79/44/576287944.db2.gz UYPTVZUURMOABA-CQSZACIVSA-N 1 0 274.364 1.591 20 10 CDCDRO COCCC[N@H+](CCOC)Cc1c(O)cccc1OC ZINC000768936368 576318645 /nfs/dbraw/zinc/31/86/45/576318645.db2.gz JWIWDZFHZPFTDD-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)c2c1c(F)ccc2O ZINC000762787629 576672203 /nfs/dbraw/zinc/67/22/03/576672203.db2.gz MXKLMPVKGIOCSM-XAGWURHQSA-N 1 0 294.370 1.736 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCOC1 ZINC000763481005 576738977 /nfs/dbraw/zinc/73/89/77/576738977.db2.gz RTDFIKKJCWMYPH-OAHLLOKOSA-N 1 0 282.359 1.787 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000747074462 576857883 /nfs/dbraw/zinc/85/78/83/576857883.db2.gz RRSGXFGXSOSPNO-UHFFFAOYSA-N 1 0 273.336 1.508 20 10 CDCDRO NC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000754046587 576875477 /nfs/dbraw/zinc/87/54/77/576875477.db2.gz HMDWXRYTHSPMPS-UHFFFAOYSA-N 1 0 291.738 1.829 20 10 CDCDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000758143120 577075119 /nfs/dbraw/zinc/07/51/19/577075119.db2.gz DVRWSKWOTVIJFS-INIZCTEOSA-N 1 0 296.370 1.808 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCC[S@@](C)=O)cc1 ZINC000116919538 617250224 /nfs/dbraw/zinc/25/02/24/617250224.db2.gz VELSHNKJWOMMQA-KRWDZBQOSA-N 1 0 254.399 1.611 20 10 CDCDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892090333 617474579 /nfs/dbraw/zinc/47/45/79/617474579.db2.gz VNTIFDXFCLBYBU-VXGBXAGGSA-N 1 0 275.352 1.687 20 10 CDCDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000892157207 617512857 /nfs/dbraw/zinc/51/28/57/617512857.db2.gz QMTLXMAEWKZBJN-LBPRGKRZSA-N 1 0 297.305 1.415 20 10 CDCDRO CCOCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893327156 617578837 /nfs/dbraw/zinc/57/88/37/617578837.db2.gz HIHYQHQZXZHOGP-UHFFFAOYSA-N 1 0 255.314 1.536 20 10 CDCDRO C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000891812326 617602944 /nfs/dbraw/zinc/60/29/44/617602944.db2.gz AFSZIWVVWJVFQJ-OBJOEFQTSA-N 1 0 290.411 1.945 20 10 CDCDRO COc1ccc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c(O)c1OC ZINC000893668986 617818536 /nfs/dbraw/zinc/81/85/36/617818536.db2.gz JGGHFSJALJQDCU-VXGBXAGGSA-N 1 0 294.395 1.934 20 10 CDCDRO COc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1C ZINC000840965088 617858402 /nfs/dbraw/zinc/85/84/02/617858402.db2.gz XLZCWRSBVYLQKE-UHFFFAOYSA-N 1 0 283.393 1.670 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(O)c1OC ZINC000893472327 617964144 /nfs/dbraw/zinc/96/41/44/617964144.db2.gz QHGOCLLDTNMHEM-MNOVXSKESA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@@H]2CCOC2)c(O)c1OC ZINC000893532306 618047014 /nfs/dbraw/zinc/04/70/14/618047014.db2.gz SYTJUXILXHXWNQ-LLVKDONJSA-N 1 0 281.352 1.926 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822502956 618548788 /nfs/dbraw/zinc/54/87/88/618548788.db2.gz BIIUKJUPZZWMIW-LBPRGKRZSA-N 1 0 288.351 1.829 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000822504536 618549957 /nfs/dbraw/zinc/54/99/57/618549957.db2.gz UIHFXZGGMHXVHP-NXEZZACHSA-N 1 0 257.717 1.667 20 10 CDCDRO O=C(NCCCSc1nccs1)N[C@H]1CC[NH2+]C1 ZINC000841856810 618817245 /nfs/dbraw/zinc/81/72/45/618817245.db2.gz KTVDLDKVYLIZGO-VIFPVBQESA-N 1 0 286.426 1.286 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCCC2)c1O ZINC000894382660 618839850 /nfs/dbraw/zinc/83/98/50/618839850.db2.gz YMRUPPLHTGDEEE-UHFFFAOYSA-N 1 0 264.369 1.895 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC(=O)NCC2CC2)c1O ZINC000894420163 618878604 /nfs/dbraw/zinc/87/86/04/618878604.db2.gz KNKHEQHAMVRRQM-UHFFFAOYSA-N 1 0 278.352 1.325 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000894643677 619003105 /nfs/dbraw/zinc/00/31/05/619003105.db2.gz RYYIWVKPUVDHCM-OCCSQVGLSA-N 1 0 295.379 1.444 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c(O)c1OC ZINC000895434465 619660751 /nfs/dbraw/zinc/66/07/51/619660751.db2.gz VXMQSGRWMUGKMY-ZDUSSCGKSA-N 1 0 294.351 1.024 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c(O)c1 ZINC000897683774 621072167 /nfs/dbraw/zinc/07/21/67/621072167.db2.gz GSFIXDFUNKRKEH-QMTHXVAHSA-N 1 0 251.326 1.604 20 10 CDCDRO C[C@H]([NH2+]CCCON)c1ccc(N2CCOCC2)c(F)c1 ZINC000902418326 624783958 /nfs/dbraw/zinc/78/39/58/624783958.db2.gz DLZCIHHIUXSNBV-LBPRGKRZSA-N 1 0 297.374 1.593 20 10 CDCDRO CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)[NH+](C)C ZINC000151545521 630693913 /nfs/dbraw/zinc/69/39/13/630693913.db2.gz VVPBQCRJXXCFNT-MFKMUULPSA-N 1 0 280.368 1.918 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000890056511 633134906 /nfs/dbraw/zinc/13/49/06/633134906.db2.gz YNOMPJHWYLHUGL-LBPRGKRZSA-N 1 0 275.352 1.512 20 10 CDCDRO CC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]C1 ZINC000062899682 1169089456 /nfs/dbraw/zinc/08/94/56/1169089456.db2.gz PTJAUJVOUXZPLX-MRXNPFEDSA-N 1 0 275.396 1.759 20 10 CDCDRO CC(C)c1ccc(O)c(CN2CC[NH2+][C@@H](CCO)C2)c1 ZINC001575858462 1171283433 /nfs/dbraw/zinc/28/34/33/1171283433.db2.gz GNFHXXIAXIBZAN-HNNXBMFYSA-N 1 0 278.396 1.672 20 10 CDCDRO COc1cc(C)cc(CN[C@@H](C[NH3+])C(F)(F)F)c1O ZINC001579144887 1172105366 /nfs/dbraw/zinc/10/53/66/1172105366.db2.gz KYNMUSLFWJGUAA-JTQLQIEISA-N 1 0 278.274 1.688 20 10 CDCDRO COc1cc(C)cc(CN[C@H](C[NH3+])C(F)(F)F)c1O ZINC001579144888 1172105821 /nfs/dbraw/zinc/10/58/21/1172105821.db2.gz KYNMUSLFWJGUAA-SNVBAGLBSA-N 1 0 278.274 1.688 20 10 CDCDRO COc1ccc(CN2CC[NH2+][C@H](C)[C@H]2C)c(O)c1OC ZINC001579214046 1172116544 /nfs/dbraw/zinc/11/65/44/1172116544.db2.gz UVTAOTQQJRHBSD-GHMZBOCLSA-N 1 0 280.368 1.592 20 10 CDCDRO COc1ccc(N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000159110044 1178236937 /nfs/dbraw/zinc/23/69/37/1178236937.db2.gz KUABPZBVNMARSM-UHFFFAOYSA-N 1 0 276.380 1.996 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000132625589 697694018 /nfs/dbraw/zinc/69/40/18/697694018.db2.gz GMZRGJMKAGHYHO-ZANVPECISA-N 1 0 270.760 1.594 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752597 697722500 /nfs/dbraw/zinc/72/25/00/697722500.db2.gz PWJPYOGIUQTNLB-WPRPVWTQSA-N 1 0 259.733 1.704 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003746 697753887 /nfs/dbraw/zinc/75/38/87/697753887.db2.gz PWRROVDAHJQGOL-OCCSQVGLSA-N 1 0 292.379 1.637 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000876562581 697809297 /nfs/dbraw/zinc/80/92/97/697809297.db2.gz SJSDGBGITKTSNU-UHFFFAOYSA-N 1 0 298.408 1.168 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CO)CCF)c1O ZINC000846098051 697824662 /nfs/dbraw/zinc/82/46/62/697824662.db2.gz YMJYRDRKSWBMAO-LLVKDONJSA-N 1 0 257.305 1.601 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@@H](O)COC)ccc1OC ZINC000801733240 697878274 /nfs/dbraw/zinc/87/82/74/697878274.db2.gz USGRGABQTRTUDF-CQSZACIVSA-N 1 0 283.368 1.329 20 10 CDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)[C@H](C)O ZINC000929294351 697932679 /nfs/dbraw/zinc/93/26/79/697932679.db2.gz CLIXTYOBBYLTTA-XJKSGUPXSA-N 1 0 280.412 1.705 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](C)[NH2+]C[C@H]2C)cc1OC ZINC000843119923 697986499 /nfs/dbraw/zinc/98/64/99/697986499.db2.gz OAAOKEOXTDWWAE-WDEREUQCSA-N 1 0 280.368 1.592 20 10 CDCDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cccc(Cl)c1O ZINC000890761446 697995830 /nfs/dbraw/zinc/99/58/30/697995830.db2.gz SNVQONFAZFYIKE-HZMBPMFUSA-N 1 0 298.770 1.117 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000227439462 698003697 /nfs/dbraw/zinc/00/36/97/698003697.db2.gz GOFLEQABAZLRHX-SNVBAGLBSA-N 1 0 279.258 1.804 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835075126 698057586 /nfs/dbraw/zinc/05/75/86/698057586.db2.gz VTSQJZXWEINURO-QWHCGFSZSA-N 1 0 290.363 1.644 20 10 CDCDRO CN(C)c1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1F ZINC000817898810 698082807 /nfs/dbraw/zinc/08/28/07/698082807.db2.gz BGOIVNVAAANTTP-STQMWFEESA-N 1 0 251.349 1.861 20 10 CDCDRO CC1=CC[N@H+](CCNC(=O)c2cccc(O)c2O)CC1 ZINC000790930784 698190581 /nfs/dbraw/zinc/19/05/81/698190581.db2.gz IRWFAXIRLQFWSY-UHFFFAOYSA-N 1 0 276.336 1.480 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC3=[NH+]C[C@H](C)N3)C2)cc1 ZINC000849043369 698313785 /nfs/dbraw/zinc/31/37/85/698313785.db2.gz ANRCTXHGFJLBPT-STQMWFEESA-N 1 0 288.395 1.459 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2c(C)cccc2O)C1 ZINC000877607386 698316198 /nfs/dbraw/zinc/31/61/98/698316198.db2.gz ACQHYCFALZZBDF-NWDGAFQWSA-N 1 0 279.336 1.056 20 10 CDCDRO CCOc1cccc(CN2CCC[C@@H]([NH2+]C)C2)c1O ZINC000053201206 698323859 /nfs/dbraw/zinc/32/38/59/698323859.db2.gz FWUJBFTWIXRNTF-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817896703 698333414 /nfs/dbraw/zinc/33/34/14/698333414.db2.gz QBZDZQXVJHIJGW-CABCVRRESA-N 1 0 291.395 1.136 20 10 CDCDRO COc1cc(N(C)CC(C)(C)[NH3+])cc(OC)c1OC ZINC000258928253 698377002 /nfs/dbraw/zinc/37/70/02/698377002.db2.gz VGBKPYONPBRAHO-UHFFFAOYSA-N 1 0 268.357 1.886 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCO2)cc1 ZINC000832266243 698391122 /nfs/dbraw/zinc/39/11/22/698391122.db2.gz DLARDBHNPXOOLD-ZIAGYGMSSA-N 1 0 277.368 1.048 20 10 CDCDRO C[C@H](O)[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969630 698479715 /nfs/dbraw/zinc/47/97/15/698479715.db2.gz OZRNCOJOXIQBNR-BLLLJJGKSA-N 1 0 291.347 1.729 20 10 CDCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000825279081 698546296 /nfs/dbraw/zinc/54/62/96/698546296.db2.gz NTSBPGVZTOMXJJ-CYBMUJFWSA-N 1 0 295.358 1.767 20 10 CDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000831177984 698581329 /nfs/dbraw/zinc/58/13/29/698581329.db2.gz HLXNXXSUOMPPFM-WDEREUQCSA-N 1 0 264.373 1.236 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000802010808 698701438 /nfs/dbraw/zinc/70/14/38/698701438.db2.gz HMKOLXBERLMAMJ-CQSZACIVSA-N 1 0 252.333 1.659 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000190064149 698713533 /nfs/dbraw/zinc/71/35/33/698713533.db2.gz TWCGFIQHSNTDKJ-RISCZKNCSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c(O)c1 ZINC000876812274 698790098 /nfs/dbraw/zinc/79/00/98/698790098.db2.gz KNFYWYMMECUVLF-DGCLKSJQSA-N 1 0 251.326 1.282 20 10 CDCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000825103428 698794464 /nfs/dbraw/zinc/79/44/64/698794464.db2.gz FFHXEMGUOLHNMV-PSASIEDQSA-N 1 0 251.282 1.076 20 10 CDCDRO C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000156541134 698817523 /nfs/dbraw/zinc/81/75/23/698817523.db2.gz FEOQWTPXZOAUPW-NEPJUHHUSA-N 1 0 263.385 1.694 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000846921506 698855099 /nfs/dbraw/zinc/85/50/99/698855099.db2.gz UVALOWGZZYSLJD-OAHLLOKOSA-N 1 0 275.396 1.805 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000843489101 698878608 /nfs/dbraw/zinc/87/86/08/698878608.db2.gz DVYNVRQCMTZNPJ-BBBLOLIVSA-N 1 0 264.325 1.315 20 10 CDCDRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000886228581 698879113 /nfs/dbraw/zinc/87/91/13/698879113.db2.gz BOYHBBPQZKFKEE-VXGBXAGGSA-N 1 0 295.335 1.141 20 10 CDCDRO C[C@H](Cc1cnccn1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940012 698897819 /nfs/dbraw/zinc/89/78/19/698897819.db2.gz DUUHLBDKADPAPU-CXAGYDPISA-N 1 0 299.422 1.763 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000927148981 698936434 /nfs/dbraw/zinc/93/64/34/698936434.db2.gz WGGLFRIICYBWBK-DCAQKATOSA-N 1 0 251.326 1.822 20 10 CDCDRO Oc1ccc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000220220295 698987206 /nfs/dbraw/zinc/98/72/06/698987206.db2.gz PPLJFYMCVZVDHQ-QWRGUYRKSA-N 1 0 297.196 1.806 20 10 CDCDRO COC[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000129641409 699002711 /nfs/dbraw/zinc/00/27/11/699002711.db2.gz QDZXLLXEMJKEBO-OAHLLOKOSA-N 1 0 294.395 1.261 20 10 CDCDRO CNC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000887089580 699007931 /nfs/dbraw/zinc/00/79/31/699007931.db2.gz IWNPBSLGEUEHEV-UHFFFAOYSA-N 1 0 291.395 1.137 20 10 CDCDRO COc1cccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226772 704835467 /nfs/dbraw/zinc/83/54/67/704835467.db2.gz ZACXCPIBEHGVTH-WFASDCNBSA-N 1 0 262.353 1.714 20 10 CDCDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000194932810 704849123 /nfs/dbraw/zinc/84/91/23/704849123.db2.gz OCXOGMPEOFTCRI-JTQLQIEISA-N 1 0 272.352 1.566 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1C ZINC000249503711 704873539 /nfs/dbraw/zinc/87/35/39/704873539.db2.gz XXPQXNFVORGERC-TZMCWYRMSA-N 1 0 265.353 1.591 20 10 CDCDRO C[NH2+][C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229104652 704878342 /nfs/dbraw/zinc/87/83/42/704878342.db2.gz HSQLPONXXBJWRF-NSHDSACASA-N 1 0 270.760 1.848 20 10 CDCDRO COc1cccc(C[NH2+]CCCn2cncn2)c1O ZINC000394331432 704884465 /nfs/dbraw/zinc/88/44/65/704884465.db2.gz PLYLNGIYCMCGRP-UHFFFAOYSA-N 1 0 262.313 1.172 20 10 CDCDRO COC(=O)CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775650058 704898705 /nfs/dbraw/zinc/89/87/05/704898705.db2.gz OOYUCGFRBFXVSF-UHFFFAOYSA-N 1 0 291.395 1.043 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1ccc(C)cc1O ZINC000876995182 704957645 /nfs/dbraw/zinc/95/76/45/704957645.db2.gz BJHWXCVJFUEJIT-UHFFFAOYSA-N 1 0 252.358 1.368 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1O ZINC000824710530 704965110 /nfs/dbraw/zinc/96/51/10/704965110.db2.gz ZWLFAXRRSSPEGN-WFASDCNBSA-N 1 0 295.379 1.932 20 10 CDCDRO OC[C@H]1CSCC[N@@H+]1Cc1cc(F)ccc1O ZINC000877780322 704968209 /nfs/dbraw/zinc/96/82/09/704968209.db2.gz MVZYZULURRXOGH-NSHDSACASA-N 1 0 257.330 1.441 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000227260500 705059239 /nfs/dbraw/zinc/05/92/39/705059239.db2.gz HEAIWSVIXTZJML-HNNXBMFYSA-N 1 0 292.335 1.079 20 10 CDCDRO CCN(CC)c1ccc(CNc2nc(N)[nH+]c(N)n2)cc1 ZINC000858352547 705226896 /nfs/dbraw/zinc/22/68/96/705226896.db2.gz BJZIPCBUMURIJI-UHFFFAOYSA-N 1 0 287.371 1.494 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000846147757 705233529 /nfs/dbraw/zinc/23/35/29/705233529.db2.gz VTVKUICZBRQFBF-NXEZZACHSA-N 1 0 264.325 1.282 20 10 CDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984535 705253924 /nfs/dbraw/zinc/25/39/24/705253924.db2.gz BCFKYSXQZXCQEM-INIZCTEOSA-N 1 0 292.423 1.946 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cccc(C)c1O ZINC000824708449 705294121 /nfs/dbraw/zinc/29/41/21/705294121.db2.gz GSPDRWWUVLIHAR-JSGCOSHPSA-N 1 0 265.353 1.842 20 10 CDCDRO CC(C)(C)c1cccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205958982 1165018833 /nfs/dbraw/zinc/01/88/33/1165018833.db2.gz JJZWKMNGLRIAPX-ZIAGYGMSSA-N 1 0 278.396 1.584 20 10 CDCDRO C[NH2+]C[C@H](C)NCc1cc(OC)c(OC)cc1O ZINC000853249869 848214939 /nfs/dbraw/zinc/21/49/39/848214939.db2.gz XBSPHNTWGAOBDB-VIFPVBQESA-N 1 0 254.330 1.107 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H](C)O1 ZINC000877464202 848246806 /nfs/dbraw/zinc/24/68/06/848246806.db2.gz LYOBLOYMNFZPPT-OCCSQVGLSA-N 1 0 265.353 1.936 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000817412268 848303890 /nfs/dbraw/zinc/30/38/90/848303890.db2.gz HMOXKOWUZKHURU-NEPJUHHUSA-N 1 0 265.353 1.851 20 10 CDCDRO COc1cccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1O ZINC000379438477 848326633 /nfs/dbraw/zinc/32/66/33/848326633.db2.gz OYLMKRJSPPKESP-QWRGUYRKSA-N 1 0 250.342 1.583 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccn2)cc1 ZINC000832285429 848361339 /nfs/dbraw/zinc/36/13/39/848361339.db2.gz QMGGGVCIWFAWAC-CQSZACIVSA-N 1 0 284.363 1.577 20 10 CDCDRO COc1c(O)c(CNC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841036593 848372622 /nfs/dbraw/zinc/37/26/22/848372622.db2.gz RRSYUDUSHYPWRF-JTQLQIEISA-N 1 0 281.312 1.151 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1O ZINC000775137039 848523919 /nfs/dbraw/zinc/52/39/19/848523919.db2.gz QOYDMRARHJJPFB-DGCLKSJQSA-N 1 0 265.353 1.830 20 10 CDCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000225324294 848529283 /nfs/dbraw/zinc/52/92/83/848529283.db2.gz RTCKDJWNIBKPKY-ZDUSSCGKSA-N 1 0 283.803 1.381 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000825311910 848530825 /nfs/dbraw/zinc/53/08/25/848530825.db2.gz PQXWZTABAOYDAT-PBHICJAKSA-N 1 0 290.407 1.726 20 10 CDCDRO COC[C@@]1(CN[C@@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000817974392 848619274 /nfs/dbraw/zinc/61/92/74/848619274.db2.gz LCSGZFOGZVXTQW-WFASDCNBSA-N 1 0 264.369 1.811 20 10 CDCDRO CC[NH+](CC)CCOC(=O)c1cccc(O)c1O ZINC000195963298 848649496 /nfs/dbraw/zinc/64/94/96/848649496.db2.gz YPDSAFRICZWIGA-UHFFFAOYSA-N 1 0 253.298 1.596 20 10 CDCDRO CCc1cccc(C[NH2+]CCN(CC)CCO)c1O ZINC000848903737 848664609 /nfs/dbraw/zinc/66/46/09/848664609.db2.gz ZBPULKGSURKJOJ-UHFFFAOYSA-N 1 0 266.385 1.358 20 10 CDCDRO COc1ccc(N(C)CCN(C)C[C@H](C)[NH3+])cc1 ZINC000846225361 848756584 /nfs/dbraw/zinc/75/65/84/848756584.db2.gz NFZXQLQVPYWZCU-LBPRGKRZSA-N 1 0 251.374 1.410 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCOC1 ZINC000922086492 848875356 /nfs/dbraw/zinc/87/53/56/848875356.db2.gz MBRGLJSDGFVSTF-JKSUJKDBSA-N 1 0 291.391 1.746 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000776253572 848903017 /nfs/dbraw/zinc/90/30/17/848903017.db2.gz YFTJGWGGUBGESR-CHWSQXEVSA-N 1 0 278.352 1.405 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CO)CC(F)F)c1O ZINC000717811658 848968894 /nfs/dbraw/zinc/96/88/94/848968894.db2.gz PJRQOQRQRUSAHM-SNVBAGLBSA-N 1 0 275.295 1.897 20 10 CDCDRO COc1cccc(C[NH2+]CC2(N(C)C)CCC2)c1O ZINC000097928745 848973330 /nfs/dbraw/zinc/97/33/30/848973330.db2.gz MAJMRJVQCZSPDD-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779485225 849031137 /nfs/dbraw/zinc/03/11/37/849031137.db2.gz ZONZYFQNHQHECA-ALCCZGGFSA-N 1 0 290.363 1.665 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)NC(C)C)c1 ZINC000828155437 849042673 /nfs/dbraw/zinc/04/26/73/849042673.db2.gz MTDZVVJZOALYIW-LLVKDONJSA-N 1 0 295.383 1.759 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852795146 849101733 /nfs/dbraw/zinc/10/17/33/849101733.db2.gz VTEUERZKAQABTK-HNNXBMFYSA-N 1 0 291.395 1.137 20 10 CDCDRO CCc1cccc(C[N@H+](C)CCCC(=O)NC)c1O ZINC000848888997 849183475 /nfs/dbraw/zinc/18/34/75/849183475.db2.gz FHIMHTFHCSCZCQ-UHFFFAOYSA-N 1 0 264.369 1.913 20 10 CDCDRO COc1ccc(O)c([C@@H](C)N[C@H]2CCC[NH2+]C2)c1 ZINC000817941778 849205269 /nfs/dbraw/zinc/20/52/69/849205269.db2.gz RMXOIAOOZCIGCP-MNOVXSKESA-N 1 0 250.342 1.803 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000386753992 849206764 /nfs/dbraw/zinc/20/67/64/849206764.db2.gz FAAGUCOJEFLZBH-RBSFLKMASA-N 1 0 288.391 1.832 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000817964896 849223061 /nfs/dbraw/zinc/22/30/61/849223061.db2.gz IQJFFLFDNRITDL-VIFPVBQESA-N 1 0 264.325 1.049 20 10 CDCDRO C[C@@H](C(=O)NCc1cc(Cl)ccc1O)[NH+](C)C ZINC000846476805 849261092 /nfs/dbraw/zinc/26/10/92/849261092.db2.gz QRUZDHGKSNMEJD-QMMMGPOBSA-N 1 0 256.733 1.612 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c(O)c1 ZINC000876812275 849265515 /nfs/dbraw/zinc/26/55/15/849265515.db2.gz KNFYWYMMECUVLF-WCQYABFASA-N 1 0 251.326 1.282 20 10 CDCDRO C[NH2+][C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000843348603 849271201 /nfs/dbraw/zinc/27/12/01/849271201.db2.gz SMVXNCFGHUSTJM-CYBMUJFWSA-N 1 0 280.343 1.918 20 10 CDCDRO CC[C@H]([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270811 849459429 /nfs/dbraw/zinc/45/94/29/849459429.db2.gz AFIFCUUBWUTEEL-ZDUSSCGKSA-N 1 0 259.357 1.802 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)[C@@H]1OC ZINC000877352253 849545664 /nfs/dbraw/zinc/54/56/64/849545664.db2.gz WRKSJOUPNHCOLK-YUELXQCFSA-N 1 0 265.353 1.983 20 10 CDCDRO COC[C@]1(CN[C@@H]2CCc3cccc(O)c32)CCC[NH2+]1 ZINC000817975030 849558008 /nfs/dbraw/zinc/55/80/08/849558008.db2.gz QBFFNHNNGLXKHD-CZUORRHYSA-N 1 0 276.380 1.738 20 10 CDCDRO Cc1ccc(C[NH2+]CCCO[C@@H]2CCOC2)c(O)c1 ZINC000877086765 849592089 /nfs/dbraw/zinc/59/20/89/849592089.db2.gz AKAPUYBZPPAFPK-CQSZACIVSA-N 1 0 265.353 1.986 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+][C@@H](C)C2)c1O ZINC000842473402 849690840 /nfs/dbraw/zinc/69/08/40/849690840.db2.gz DBQCYEZIKOOCOF-VIFPVBQESA-N 1 0 266.316 1.528 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+]1CCCC1 ZINC000821806380 849702938 /nfs/dbraw/zinc/70/29/38/849702938.db2.gz AUTNDSMKKKLXQQ-LLVKDONJSA-N 1 0 278.352 1.241 20 10 CDCDRO COCC1([NH2+]Cc2cccc(C)c2O)CCOCC1 ZINC000816625932 849716542 /nfs/dbraw/zinc/71/65/42/849716542.db2.gz QFUTXLVWRIKHIP-UHFFFAOYSA-N 1 0 265.353 1.986 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850406934 849776286 /nfs/dbraw/zinc/77/62/86/849776286.db2.gz ZLXLQPWSSBVSGD-HIFRSBDPSA-N 1 0 290.407 1.915 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844173314 849795320 /nfs/dbraw/zinc/79/53/20/849795320.db2.gz UCZXDSCMKVRWMK-ZSHCYNCHSA-N 1 0 285.391 1.368 20 10 CDCDRO CCN1C[C@H](C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1=O ZINC000846095590 849845569 /nfs/dbraw/zinc/84/55/69/849845569.db2.gz BNEJDYXBYWYZBV-NEPJUHHUSA-N 1 0 292.379 1.920 20 10 CDCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876810480 849866121 /nfs/dbraw/zinc/86/61/21/849866121.db2.gz VWLZPSNJQVTEJU-OAHLLOKOSA-N 1 0 293.363 1.447 20 10 CDCDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1c(C)cccc1O ZINC000876782125 849939854 /nfs/dbraw/zinc/93/98/54/849939854.db2.gz OXNPYBKAUNZWFY-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000829528007 849985489 /nfs/dbraw/zinc/98/54/89/849985489.db2.gz JBICZLLWQCTRDE-UWVGGRQHSA-N 1 0 285.438 1.740 20 10 CDCDRO COC[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936064 850022637 /nfs/dbraw/zinc/02/26/37/850022637.db2.gz GCTJCQRIZVLCQG-HNNXBMFYSA-N 1 0 266.385 1.548 20 10 CDCDRO CC[NH2+]CCNC(=O)N(C)Cc1ccccc1O ZINC000841934797 850032371 /nfs/dbraw/zinc/03/23/71/850032371.db2.gz KVQOWOSTLLFDKE-UHFFFAOYSA-N 1 0 251.330 1.143 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000824926627 850032570 /nfs/dbraw/zinc/03/25/70/850032570.db2.gz QCBYNCAIIFRRKK-OKILXGFUSA-N 1 0 278.396 1.588 20 10 CDCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877090124 850117125 /nfs/dbraw/zinc/11/71/25/850117125.db2.gz RTVBGAVWCAHZHP-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877174166 850177032 /nfs/dbraw/zinc/17/70/32/850177032.db2.gz BAUKZUOFTQIULB-GFCCVEGCSA-N 1 0 298.408 1.214 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000710363607 850272371 /nfs/dbraw/zinc/27/23/71/850272371.db2.gz GIBOKYVAYCZPOI-JTQLQIEISA-N 1 0 278.352 1.700 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)O1 ZINC000398126562 850273007 /nfs/dbraw/zinc/27/30/07/850273007.db2.gz TXKDBNJUUWZHEQ-ONGXEEELSA-N 1 0 265.309 1.778 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1Cl ZINC000825773618 850400365 /nfs/dbraw/zinc/40/03/65/850400365.db2.gz LVHHEEDIWIBTBA-AMIZOPFISA-N 1 0 282.771 1.968 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c(O)c1 ZINC000817412936 850424262 /nfs/dbraw/zinc/42/42/62/850424262.db2.gz RHBVATJYKWTWIJ-CQSZACIVSA-N 1 0 295.379 1.763 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825417386 850436038 /nfs/dbraw/zinc/43/60/38/850436038.db2.gz LUPDAQAJYNPIBE-SECBINFHSA-N 1 0 270.760 1.968 20 10 CDCDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccccc1O ZINC000783521420 850447696 /nfs/dbraw/zinc/44/76/96/850447696.db2.gz XEGXTQFVGZVAEE-NSHDSACASA-N 1 0 258.325 1.945 20 10 CDCDRO COCCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209054110 894464454 /nfs/dbraw/zinc/46/44/54/894464454.db2.gz WYURMOSTNFQYLA-UHFFFAOYSA-N 1 0 251.326 1.883 20 10 CDCDRO CC(C)[N@H+](C)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406512 895853058 /nfs/dbraw/zinc/85/30/58/895853058.db2.gz MMRYSUOZIIXZCF-ALCCZGGFSA-N 1 0 278.352 1.567 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(CNC(=O)N3)CC2)c1 ZINC001140623697 897198496 /nfs/dbraw/zinc/19/84/96/897198496.db2.gz QMSCYEWHSZOVIJ-UHFFFAOYSA-N 1 0 275.352 1.348 20 10 CDCDRO COC(C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000162328405 898578492 /nfs/dbraw/zinc/57/84/92/898578492.db2.gz ULDJHNQKSPHMFW-CYBMUJFWSA-N 1 0 294.395 1.793 20 10 CDCDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCCC1 ZINC000160726829 910107598 /nfs/dbraw/zinc/10/75/98/910107598.db2.gz ROWGVOYOUHVNDU-LBPRGKRZSA-N 1 0 261.369 1.412 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc1O ZINC001172217974 911452575 /nfs/dbraw/zinc/45/25/75/911452575.db2.gz UJYVITYVOMMLRN-YEWTVFCHSA-N 1 0 279.336 1.431 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1O ZINC001231591071 911787290 /nfs/dbraw/zinc/78/72/90/911787290.db2.gz RURFJGVLVGMRAQ-ZFWWWQNUSA-N 1 0 265.353 1.266 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCC[C@@H]1O ZINC001204277309 916573196 /nfs/dbraw/zinc/57/31/96/916573196.db2.gz YPURRBAJSGGWNH-GWCFXTLKSA-N 1 0 251.326 1.691 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC001182018216 917623876 /nfs/dbraw/zinc/62/38/76/917623876.db2.gz XDTRDRDJUQFULG-OAHLLOKOSA-N 1 0 288.391 1.967 20 10 CDCDRO CC[NH+](CC)CCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182154438 917694067 /nfs/dbraw/zinc/69/40/67/917694067.db2.gz ZVERIXMUWQKLSI-UHFFFAOYSA-N 1 0 280.368 1.488 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1O ZINC001203584559 918953363 /nfs/dbraw/zinc/95/33/63/918953363.db2.gz DOXXJWKDHHJDMZ-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001203621258 919680723 /nfs/dbraw/zinc/68/07/23/919680723.db2.gz QKWFFCOJFMJHRU-SMDDNHRTSA-N 1 0 265.353 1.994 20 10 CDCDRO C[NH+](C)C1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001140282546 936697371 /nfs/dbraw/zinc/69/73/71/936697371.db2.gz DGMGUGWFFZDNCV-UHFFFAOYSA-N 1 0 289.423 1.394 20 10 CDCDRO NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461218 936711856 /nfs/dbraw/zinc/71/18/56/936711856.db2.gz HGLQLEBSGIWBEM-UHFFFAOYSA-N 1 0 283.759 1.678 20 10 CDCDRO O=C1NCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]12 ZINC001140465107 936712509 /nfs/dbraw/zinc/71/25/09/936712509.db2.gz HGLLRXYKFJVHLQ-JOYOIKCWSA-N 1 0 280.755 1.614 20 10 CDCDRO C[NH+](C)C1CN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660667 936736698 /nfs/dbraw/zinc/73/66/98/936736698.db2.gz ZVQRINGGTLSPDF-UHFFFAOYSA-N 1 0 293.386 1.408 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(-n2[nH]c(=O)nc2C[NH3+])cc1 ZINC001168760656 923161140 /nfs/dbraw/zinc/16/11/40/923161140.db2.gz DHEISRKWNALVSV-UHFFFAOYSA-N 1 0 283.335 1.839 20 10 CDCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140006 936818436 /nfs/dbraw/zinc/81/84/36/936818436.db2.gz HCVPBGQWJJWWJQ-OCCSQVGLSA-N 1 0 276.380 1.718 20 10 CDCDRO CN1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001141162058 936822675 /nfs/dbraw/zinc/82/26/75/936822675.db2.gz KMTNROHVHUUCRD-SMDDNHRTSA-N 1 0 262.353 1.624 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236835 923556943 /nfs/dbraw/zinc/55/69/43/923556943.db2.gz RMIJBKNIJFIOKZ-ZETCQYMHSA-N 1 0 272.732 1.431 20 10 CDCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(O)c(O)cc2O)C1 ZINC001205842194 925439798 /nfs/dbraw/zinc/43/97/98/925439798.db2.gz NBKQPAKPDCQIID-KOLCDFICSA-N 1 0 266.341 1.363 20 10 CDCDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001168986145 927568170 /nfs/dbraw/zinc/56/81/70/927568170.db2.gz WPGNLNWRIZDPFR-WDEREUQCSA-N 1 0 266.297 1.633 20 10 CDCDRO CC(C)[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[NH2+]1 ZINC000856489760 928607234 /nfs/dbraw/zinc/60/72/34/928607234.db2.gz QSHZZQLPUKZXPQ-JTQLQIEISA-N 1 0 254.355 1.524 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000691434162 928614963 /nfs/dbraw/zinc/61/49/63/928614963.db2.gz ARPVMEFWLDNIED-LLVKDONJSA-N 1 0 264.369 1.957 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000691460402 928878853 /nfs/dbraw/zinc/87/88/53/928878853.db2.gz QZZSCOHVQLNICS-GFCCVEGCSA-N 1 0 276.336 1.192 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(CCCO3)CC2)c(O)c1 ZINC001144509572 931875474 /nfs/dbraw/zinc/87/54/74/931875474.db2.gz ZTAXZUGNWQSABP-UHFFFAOYSA-N 1 0 279.336 1.948 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H]1C ZINC001144514783 931877494 /nfs/dbraw/zinc/87/74/94/931877494.db2.gz RUFURCOBIKCLQT-MWLCHTKSSA-N 1 0 295.335 1.577 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCN(CC(F)F)CC2)c(O)c1 ZINC001144515459 931879793 /nfs/dbraw/zinc/87/97/93/931879793.db2.gz PFGOTYOCPJSUPR-UHFFFAOYSA-N 1 0 288.294 1.186 20 10 CDCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001144516112 931880832 /nfs/dbraw/zinc/88/08/32/931880832.db2.gz PPMJVSQPRHPNKT-SNVBAGLBSA-N 1 0 295.335 1.531 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)c(O)c(OC)c1 ZINC001275963598 932172415 /nfs/dbraw/zinc/17/24/15/932172415.db2.gz ZUVWTJNLXWVZLQ-YHWZYXNKSA-N 1 0 292.379 1.821 20 10 CDCDRO CCC[NH+]1C[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2C1 ZINC001148219228 932670294 /nfs/dbraw/zinc/67/02/94/932670294.db2.gz XPCBDZLEXPAADU-RYUDHWBXSA-N 1 0 290.363 1.512 20 10 CDCDRO CCOCC[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001120371073 937795879 /nfs/dbraw/zinc/79/58/79/937795879.db2.gz OPHOXAXVXXBFNC-UHFFFAOYSA-N 1 0 263.385 1.423 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1c(O)cccc1O ZINC001156880786 938428336 /nfs/dbraw/zinc/42/83/36/938428336.db2.gz AWSCKERQZKGILC-UHFFFAOYSA-N 1 0 252.314 1.056 20 10 CDCDRO O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c[nH+]cn2c1 ZINC001157405411 938487477 /nfs/dbraw/zinc/48/74/77/938487477.db2.gz WYTBPGXDAOHBQZ-UHFFFAOYSA-N 1 0 283.287 1.927 20 10 CDCDRO CN(C)C(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001203560642 939693310 /nfs/dbraw/zinc/69/33/10/939693310.db2.gz FADMVAIHTFNPEC-UHFFFAOYSA-N 1 0 277.368 1.628 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c(O)c1 ZINC001203635445 939698756 /nfs/dbraw/zinc/69/87/56/939698756.db2.gz VEKJDWYGPCRMTB-CYBMUJFWSA-N 1 0 290.363 1.598 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1O ZINC001203635127 939698971 /nfs/dbraw/zinc/69/89/71/939698971.db2.gz KKWQAXZRRHMHPJ-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(O)c(O)c1 ZINC001203877445 939711014 /nfs/dbraw/zinc/71/10/14/939711014.db2.gz GJCVWYCILBPFNT-WDEREUQCSA-N 1 0 250.342 1.622 20 10 CDCDRO Oc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001204274746 939750092 /nfs/dbraw/zinc/75/00/92/939750092.db2.gz IFMCPDGLQQKJAZ-CYBMUJFWSA-N 1 0 262.353 1.768 20 10 CDCDRO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276715 939751177 /nfs/dbraw/zinc/75/11/77/939751177.db2.gz PAXHOTJMVCQPHS-MWLCHTKSSA-N 1 0 255.289 1.250 20 10 CDCDRO Cc1ncc(C[N@@H+](C)Cc2ccc(O)cc2O)cn1 ZINC001204281507 939751914 /nfs/dbraw/zinc/75/19/14/939751914.db2.gz SHOIWLUMCLSEGI-UHFFFAOYSA-N 1 0 259.309 1.828 20 10 CDCDRO C[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1ccccc1O ZINC000405384249 940986429 /nfs/dbraw/zinc/98/64/29/940986429.db2.gz IYGLFNCHMBFYCU-SNVBAGLBSA-N 1 0 262.309 1.192 20 10 CDCDRO O=C1CCCN1CC[NH2+]Cc1cc(F)ccc1O ZINC000405485353 940990180 /nfs/dbraw/zinc/99/01/80/940990180.db2.gz LNHUIXWNGGRWQV-UHFFFAOYSA-N 1 0 252.289 1.243 20 10 CDCDRO CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CC[NH2+]C1 ZINC001218183319 941042874 /nfs/dbraw/zinc/04/28/74/941042874.db2.gz PPLYMXJFUYRMHH-VIFPVBQESA-N 1 0 265.309 1.821 20 10 CDCDRO [NH3+]C1(C(=O)NCc2cc(Cl)c3cccnc3c2O)CC1 ZINC001220212836 941424186 /nfs/dbraw/zinc/42/41/86/941424186.db2.gz YIYWUNXDDKFRBC-UHFFFAOYSA-N 1 0 291.738 1.701 20 10 CDCDRO Cn1ccc2c1ncnc2-c1cnn(CC[NH+]2CCCC2)c1 ZINC001222451229 941596481 /nfs/dbraw/zinc/59/64/81/941596481.db2.gz QUKCRZXJYWQZIT-UHFFFAOYSA-N 1 0 296.378 1.928 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1O ZINC001231593903 942938633 /nfs/dbraw/zinc/93/86/33/942938633.db2.gz WLYZYKBDSSTRKO-OLZOCXBDSA-N 1 0 260.337 1.221 20 10 CDCDRO Cc1cccc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)c1O ZINC001231593732 942939275 /nfs/dbraw/zinc/93/92/75/942939275.db2.gz LPKNMEQYCUHLOK-CQSZACIVSA-N 1 0 276.380 1.606 20 10 CDCDRO COc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)cc1O ZINC001231634485 942948912 /nfs/dbraw/zinc/94/89/12/942948912.db2.gz NWMBELDTSXECMU-JTQLQIEISA-N 1 0 267.325 1.717 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@]23CCOC3)c(O)cc1O ZINC001231637633 942953813 /nfs/dbraw/zinc/95/38/13/942953813.db2.gz OVXOGDFWJDNINP-OAHLLOKOSA-N 1 0 279.336 1.861 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231850945 943028572 /nfs/dbraw/zinc/02/85/72/943028572.db2.gz XJDQHNBWKIDQNW-ZDUSSCGKSA-N 1 0 293.363 1.773 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232833551 943412547 /nfs/dbraw/zinc/41/25/47/943412547.db2.gz APOVFOFSIMSCOK-UHFFFAOYSA-N 1 0 291.395 1.416 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC(N3CC(F)C3)C2)c(O)c1 ZINC001232834967 943412928 /nfs/dbraw/zinc/41/29/28/943412928.db2.gz SIZMWGKDJGSUSR-UHFFFAOYSA-N 1 0 279.359 1.296 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1O ZINC001232836594 943414294 /nfs/dbraw/zinc/41/42/94/943414294.db2.gz QTABNSJMHUWIAI-ABAIWWIYSA-N 1 0 264.369 1.661 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232840348 943415207 /nfs/dbraw/zinc/41/52/07/943415207.db2.gz UMFKJFCSAKBAOI-AWEZNQCLSA-N 1 0 291.395 1.511 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c(O)c1 ZINC001232841190 943416894 /nfs/dbraw/zinc/41/68/94/943416894.db2.gz XGFYNHWAYGFBFR-XJKSGUPXSA-N 1 0 289.423 1.984 20 10 CDCDRO CCN(CC[NH+](CC)CC)Cc1cc(O)c(O)c(O)c1 ZINC001233013162 943461768 /nfs/dbraw/zinc/46/17/68/943461768.db2.gz NGOXZBQGPOVLTR-UHFFFAOYSA-N 1 0 282.384 1.967 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(C)O ZINC001233010888 943462331 /nfs/dbraw/zinc/46/23/31/943462331.db2.gz WKSJYBQCDRRVMR-ZUZCIYMTSA-N 1 0 281.352 1.786 20 10 CDCDRO Oc1cc(O)c(CN2CC[NH+](C3CC3)CC2)cc1O ZINC001233482702 943591427 /nfs/dbraw/zinc/59/14/27/943591427.db2.gz YZIZMASQUARKSX-UHFFFAOYSA-N 1 0 264.325 1.083 20 10 CDCDRO Oc1cc(O)c(CN2CC([NH+]3CCCCC3)C2)cc1O ZINC001233486270 943593865 /nfs/dbraw/zinc/59/38/65/943593865.db2.gz GCNDZUZKUAFPFV-UHFFFAOYSA-N 1 0 278.352 1.474 20 10 CDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001233485853 943594652 /nfs/dbraw/zinc/59/46/52/943594652.db2.gz NJQVDVWZADNHSA-PHIMTYICSA-N 1 0 264.325 1.082 20 10 CDCDRO CN(Cc1cc(F)c(F)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236119175 944408398 /nfs/dbraw/zinc/40/83/98/944408398.db2.gz GTPGDOZJAGBMGN-JTQLQIEISA-N 1 0 256.296 1.854 20 10 CDCDRO c1c(CN2C[C@H]3C[NH2+]C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001236297285 944456237 /nfs/dbraw/zinc/45/62/37/944456237.db2.gz UVAHUZYJCWOACC-IAGOWNOFSA-N 1 0 283.419 1.789 20 10 CDCDRO CCc1ccc(C[NH+]2CCC(NC(=O)NC)CC2)c(O)c1 ZINC001236787146 944568411 /nfs/dbraw/zinc/56/84/11/944568411.db2.gz GYQLOFLXZSKACX-UHFFFAOYSA-N 1 0 291.395 1.848 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c1 ZINC001237039737 944642614 /nfs/dbraw/zinc/64/26/14/944642614.db2.gz AWGZIGILTHLECJ-OCCSQVGLSA-N 1 0 290.363 1.311 20 10 CDCDRO CCOc1ccc(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)c1 ZINC001237046836 944646107 /nfs/dbraw/zinc/64/61/07/944646107.db2.gz GWDHMABJRIFLAY-CYBMUJFWSA-N 1 0 262.353 1.681 20 10 CDCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1c(C)cccc1O)C2 ZINC001237484711 944812074 /nfs/dbraw/zinc/81/20/74/944812074.db2.gz IAXPTFADBDZSCO-LRDDRELGSA-N 1 0 291.347 1.322 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CCc2nccn2CC1 ZINC001237493220 944813381 /nfs/dbraw/zinc/81/33/81/944813381.db2.gz WGWRRDGYWVVSHC-UHFFFAOYSA-N 1 0 257.337 1.955 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(OC)cc(OC)c1O ZINC001237685965 944925924 /nfs/dbraw/zinc/92/59/24/944925924.db2.gz VWDMSSHWCIPJSU-STQMWFEESA-N 1 0 292.379 1.688 20 10 CDCDRO Cc1cc(F)cc(CN2CC[N@@H+]3CC[C@H]3C2)c1O ZINC001238066544 945047662 /nfs/dbraw/zinc/04/76/62/945047662.db2.gz MMJSQOFKZHSTHU-ZDUSSCGKSA-N 1 0 250.317 1.730 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603824 946759282 /nfs/dbraw/zinc/75/92/82/946759282.db2.gz WNLUNRLWMPLHMP-DGCLKSJQSA-N 1 0 276.384 1.538 20 10 CDCDRO CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001262603847 946759378 /nfs/dbraw/zinc/75/93/78/946759378.db2.gz XCUCKBQIJGLVFR-JSGCOSHPSA-N 1 0 276.384 1.538 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c1O ZINC001278354980 946925910 /nfs/dbraw/zinc/92/59/10/946925910.db2.gz RLNKKPFSOOMBQD-XHDPSFHLSA-N 1 0 260.337 1.459 20 10 CDCDRO O=S1(=O)CCN(c2ccc(C3=C[NH2+]CCC3)cc2)CC1 ZINC001243953165 947264363 /nfs/dbraw/zinc/26/43/63/947264363.db2.gz WZZAEPWVUPSVQK-UHFFFAOYSA-N 1 0 292.404 1.646 20 10 CDCDRO C[C@H]1CC([NH2+]CCc2cc(O)c(O)cc2O)C[C@H](C)O1 ZINC001257074935 948519684 /nfs/dbraw/zinc/51/96/84/948519684.db2.gz WRJXEVBLQPFYNH-UWVGGRQHSA-N 1 0 281.352 1.892 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001249172459 949440367 /nfs/dbraw/zinc/44/03/67/949440367.db2.gz MTEOJDWBWCMPJK-TZMCWYRMSA-N 1 0 297.326 1.012 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@H](O)COc2ccccc2)cc1O ZINC001251243416 950670670 /nfs/dbraw/zinc/67/06/70/950670670.db2.gz QEZAOJADOQSKAR-ZDUSSCGKSA-N 1 0 289.331 1.627 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@H](O)COc2ccccc2)c(O)c1 ZINC001251238727 950673567 /nfs/dbraw/zinc/67/35/67/950673567.db2.gz AWUQMCXMMMGIOM-AWEZNQCLSA-N 1 0 289.331 1.627 20 10 CDCDRO CCCCOC[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001252529406 951413061 /nfs/dbraw/zinc/41/30/61/951413061.db2.gz GVBBDCIZFBHHEL-CYBMUJFWSA-N 1 0 269.341 1.365 20 10 CDCDRO CC(C)OC[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252679944 951567564 /nfs/dbraw/zinc/56/75/64/951567564.db2.gz JHBQADIMKBFQRJ-CYBMUJFWSA-N 1 0 265.353 1.536 20 10 CDCDRO CN(C)c1ccc(CNC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253407092 951890966 /nfs/dbraw/zinc/89/09/66/951890966.db2.gz DKKRGRBQXHXILU-HNNXBMFYSA-N 1 0 279.428 1.591 20 10 CDCDRO Cc1nn(CCO)c(C)c1C[NH2+]Cc1cc(C)ccc1O ZINC001331675512 957201120 /nfs/dbraw/zinc/20/11/20/957201120.db2.gz GMAYHVQTCJUQRF-UHFFFAOYSA-N 1 0 289.379 1.796 20 10 CDCDRO COc1ccc(CN2CC[N@H+](C)C(C)(C)C2)c(O)c1OC ZINC001333850486 958654627 /nfs/dbraw/zinc/65/46/27/958654627.db2.gz OSRIGFUZFPOUFN-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2=O)c1 ZINC001320609731 959273015 /nfs/dbraw/zinc/27/30/15/959273015.db2.gz JXVMIYVTHZZUTC-IINYFYTJSA-N 1 0 290.363 1.815 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2CCOC3)c1 ZINC001321028135 959542415 /nfs/dbraw/zinc/54/24/15/959542415.db2.gz LJYARAQZECPMLF-NSHDSACASA-N 1 0 288.351 1.673 20 10 CDCDRO C[N@@H+]1CCN(C(=O)NCc2ccc(N)cc2)CC1(C)C ZINC001335723623 959993065 /nfs/dbraw/zinc/99/30/65/959993065.db2.gz AQCWAICJUSGUPD-UHFFFAOYSA-N 1 0 276.384 1.504 20 10 CDCDRO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336284900 960287067 /nfs/dbraw/zinc/28/70/67/960287067.db2.gz DNIGDNGOUWCRPR-AWEZNQCLSA-N 1 0 282.409 1.668 20 10 CDCDRO Nc1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC001342701443 963801876 /nfs/dbraw/zinc/80/18/76/963801876.db2.gz YSUDDKPLMNJURM-UKRRQHHQSA-N 1 0 259.353 1.275 20 10 CDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N)cc1 ZINC001345160175 964611304 /nfs/dbraw/zinc/61/13/04/964611304.db2.gz SSJDLUDXNXELSK-XBFCOCLRSA-N 1 0 259.353 1.355 20 10 CDCDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(N)cc2)C[C@H]1C ZINC001353539892 968056289 /nfs/dbraw/zinc/05/62/89/968056289.db2.gz PUYQRBZXEZEPJO-OLZOCXBDSA-N 1 0 290.411 1.893 20 10 CDCDRO CCc1cccc(C[N@H+](CCOC)[C@H](C)C(N)=O)c1O ZINC000848884873 969337233 /nfs/dbraw/zinc/33/72/33/969337233.db2.gz HLBHGBKMAGZYMT-LLVKDONJSA-N 1 0 280.368 1.277 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC001573569055 1170694607 /nfs/dbraw/zinc/69/46/07/1170694607.db2.gz MGYTZNDDGONRHR-BXUZGUMPSA-N 1 0 261.369 1.682 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCO)CC2)cc1F ZINC000084866154 342381185 /nfs/dbraw/zinc/38/11/85/342381185.db2.gz AKFAAGBVPFSGPF-UHFFFAOYSA-N 1 0 268.332 1.339 20 10 CDCDRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc(N(C)C)cc1 ZINC000090643214 342396849 /nfs/dbraw/zinc/39/68/49/342396849.db2.gz SYDXBUDASZUSJG-GFCCVEGCSA-N 1 0 264.369 1.412 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1O ZINC000295116718 199354163 /nfs/dbraw/zinc/35/41/63/199354163.db2.gz MNGLCUSZKWJWEW-CQSZACIVSA-N 1 0 294.395 1.337 20 10 CDCDRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCS1(=O)=O ZINC000293947000 358508628 /nfs/dbraw/zinc/50/86/28/358508628.db2.gz ORTSMZORSGEZIE-KWQFWETISA-N 1 0 273.329 1.197 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC(C)C)c1 ZINC000036781648 356883560 /nfs/dbraw/zinc/88/35/60/356883560.db2.gz LLUAXVMNISNGSU-LLVKDONJSA-N 1 0 250.342 1.876 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c(O)c1 ZINC000036793763 356884588 /nfs/dbraw/zinc/88/45/88/356884588.db2.gz DWEHATMDEKGMDI-QWRGUYRKSA-N 1 0 250.342 1.828 20 10 CDCDRO Oc1ccc(Br)cc1C[N@H+]1CC[C@H](O)C1 ZINC000128149657 357545241 /nfs/dbraw/zinc/54/52/41/357545241.db2.gz GTIJTWJQFYIIJE-JTQLQIEISA-N 1 0 272.142 1.721 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000296044861 199764085 /nfs/dbraw/zinc/76/40/85/199764085.db2.gz USIDXHGKFDBKAN-NILFDRSVSA-N 1 0 264.369 1.553 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C(C)(C)[NH3+])cc1 ZINC000083460766 358207191 /nfs/dbraw/zinc/20/71/91/358207191.db2.gz VIOWWKZRCALZCL-UHFFFAOYSA-N 1 0 263.385 1.886 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCC(O)CC2)cc1 ZINC000294818548 199197990 /nfs/dbraw/zinc/19/79/90/199197990.db2.gz KIANMBIDJLUXTP-UHFFFAOYSA-N 1 0 277.412 1.299 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCNC(=O)C(C)C)c1O ZINC000092104007 358538905 /nfs/dbraw/zinc/53/89/05/358538905.db2.gz PRCPULBDFJPEJU-UHFFFAOYSA-N 1 0 294.395 1.995 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(F)ccc1O ZINC000185179728 358776896 /nfs/dbraw/zinc/77/68/96/358776896.db2.gz FVRIRJUWCGBRBI-ZETCQYMHSA-N 1 0 294.248 1.860 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000037982774 359465006 /nfs/dbraw/zinc/46/50/06/359465006.db2.gz LZAXSJJAODTHMA-ZDUSSCGKSA-N 1 0 283.393 1.528 20 10 CDCDRO Cc1cccc(C[NH2+]C2(CO)CCOCC2)c1O ZINC000224812820 360290956 /nfs/dbraw/zinc/29/09/56/360290956.db2.gz LTAOIZLROJVXOJ-UHFFFAOYSA-N 1 0 251.326 1.332 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCN1CCSCC1)OCO2 ZINC000226247239 360357571 /nfs/dbraw/zinc/35/75/71/360357571.db2.gz RJSXTLLUFXNMEP-UHFFFAOYSA-N 1 0 296.392 1.259 20 10 CDCDRO C[C@@H]([NH2+]CCCO)c1ccc(N2CCOCC2)cc1 ZINC000268726984 364086237 /nfs/dbraw/zinc/08/62/37/364086237.db2.gz RMHNMCXWCWEKNO-CYBMUJFWSA-N 1 0 264.369 1.556 20 10 CDCDRO C[C@H]([NH2+]CCO)c1ccc(N2CCOCC2)cc1 ZINC000268760101 364090427 /nfs/dbraw/zinc/09/04/27/364090427.db2.gz ZMCOBIAJEFAPHE-LBPRGKRZSA-N 1 0 250.342 1.166 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC000271101018 364922366 /nfs/dbraw/zinc/92/23/66/364922366.db2.gz PEKWDJWRILANBO-UHFFFAOYSA-N 1 0 297.351 1.794 20 10 CDCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccccc2O)C1 ZINC000271254591 364978100 /nfs/dbraw/zinc/97/81/00/364978100.db2.gz GKYPSDYLQNAMMY-CYBMUJFWSA-N 1 0 253.273 1.479 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(OC)ccc1O ZINC000182210777 365074604 /nfs/dbraw/zinc/07/46/04/365074604.db2.gz MLZZQODQWBUNEN-CQSZACIVSA-N 1 0 269.341 1.278 20 10 CDCDRO C[N@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000171936889 365433595 /nfs/dbraw/zinc/43/35/95/365433595.db2.gz YSONXDPKMKUAMB-UHFFFAOYSA-N 1 0 250.342 1.156 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000273584273 365510508 /nfs/dbraw/zinc/51/05/08/365510508.db2.gz NIGJHMANOVRCLA-QWHCGFSZSA-N 1 0 294.395 1.772 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)NCCF ZINC000282437415 367884020 /nfs/dbraw/zinc/88/40/20/367884020.db2.gz DOZMPDXZSPDZCP-DTWKUNHWSA-N 1 0 272.295 1.656 20 10 CDCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NCCF ZINC000282883811 368086307 /nfs/dbraw/zinc/08/63/07/368086307.db2.gz YSUNZUQMWKWLPM-QMMMGPOBSA-N 1 0 258.268 1.095 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)CCOCCO)c1O ZINC000282883299 368086673 /nfs/dbraw/zinc/08/66/73/368086673.db2.gz YQTGZFMSBYMPCZ-UHFFFAOYSA-N 1 0 283.368 1.622 20 10 CDCDRO CCOC[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000529666803 368087020 /nfs/dbraw/zinc/08/70/20/368087020.db2.gz OEDUEMRESBQKHG-ZDUSSCGKSA-N 1 0 251.326 1.630 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cc(C)nn2C)c1O ZINC000284104241 368479352 /nfs/dbraw/zinc/47/93/52/368479352.db2.gz WKYWBMVNNYFMJW-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO Cc1cccc(C[N@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000284291083 368510408 /nfs/dbraw/zinc/51/04/08/368510408.db2.gz IBTIXNSQSSRBEB-UONOGXRCSA-N 1 0 278.396 1.588 20 10 CDCDRO C[C@H](O)CN1CC[N@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000284332126 368513439 /nfs/dbraw/zinc/51/34/39/368513439.db2.gz KUHHIEJUGIUWPL-OLZOCXBDSA-N 1 0 264.369 1.279 20 10 CDCDRO Cc1n[nH]c(CC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000296469891 371441106 /nfs/dbraw/zinc/44/11/06/371441106.db2.gz OIBPCWFCEKMCOO-LLVKDONJSA-N 1 0 258.325 1.638 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C2)c1O ZINC000184680017 262026212 /nfs/dbraw/zinc/02/62/12/262026212.db2.gz WDKUEDHGCXXDNK-JTQLQIEISA-N 1 0 257.717 1.621 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COCCN2)c(O)c1 ZINC000530227347 328718226 /nfs/dbraw/zinc/71/82/26/328718226.db2.gz SJNCFQKQEUBDPI-STQMWFEESA-N 1 0 264.369 1.648 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCSC1)OCO2 ZINC000228551996 390935088 /nfs/dbraw/zinc/93/50/88/390935088.db2.gz ARSWUDKYIHFWKD-VIFPVBQESA-N 1 0 267.350 1.964 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC ZINC000174374457 391121435 /nfs/dbraw/zinc/12/14/35/391121435.db2.gz WWXTUHBGUHCBLK-LLVKDONJSA-N 1 0 293.367 1.448 20 10 CDCDRO Nc1ccc(CC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000178707255 391190750 /nfs/dbraw/zinc/19/07/50/391190750.db2.gz TVMAEPUXWRZJME-UHFFFAOYSA-N 1 0 287.407 1.802 20 10 CDCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000181564049 391224518 /nfs/dbraw/zinc/22/45/18/391224518.db2.gz APPMSNDQBILNHS-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1O ZINC000376412176 391229462 /nfs/dbraw/zinc/22/94/62/391229462.db2.gz HDLJYKARIUZIBJ-AAEUAGOBSA-N 1 0 290.363 1.797 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000168182022 391276106 /nfs/dbraw/zinc/27/61/06/391276106.db2.gz FVYSBMCRWXJYIB-MLCYQJTMSA-N 1 0 271.382 1.648 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c(O)c1 ZINC000038047358 174057224 /nfs/dbraw/zinc/05/72/24/174057224.db2.gz IQOSRQDXWPYXKE-LLVKDONJSA-N 1 0 271.382 1.786 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCO2)c(O)c1 ZINC000038060609 174071316 /nfs/dbraw/zinc/07/13/16/174071316.db2.gz RLFHSVPDHPZQPY-RYUDHWBXSA-N 1 0 251.326 1.767 20 10 CDCDRO C[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000157312121 261144490 /nfs/dbraw/zinc/14/44/90/261144490.db2.gz OTJPBFAIXCMAKA-DGCLKSJQSA-N 1 0 278.352 1.247 20 10 CDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000179333228 261779792 /nfs/dbraw/zinc/77/97/92/261779792.db2.gz IJEASNDGHZSWAS-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(Cl)ccc1O ZINC000185201006 262046112 /nfs/dbraw/zinc/04/61/12/262046112.db2.gz SBQNVAKPPFFDEK-MRVPVSSYSA-N 1 0 297.742 1.248 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCNS(C)(=O)=O)c1 ZINC000184921002 262300175 /nfs/dbraw/zinc/30/01/75/262300175.db2.gz GQNBZROOVIHHQM-NSHDSACASA-N 1 0 286.397 1.291 20 10 CDCDRO CN1CCN(C)[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297704448 277103462 /nfs/dbraw/zinc/10/34/62/277103462.db2.gz MNNHOLIODUWJDY-KGLIPLIRSA-N 1 0 275.396 1.215 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCNC1=O ZINC000281770348 279236251 /nfs/dbraw/zinc/23/62/51/279236251.db2.gz MDSNCDDHEFPTCB-AWEZNQCLSA-N 1 0 279.359 1.602 20 10 CDCDRO C[C@@H](O)C[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000276188454 328217276 /nfs/dbraw/zinc/21/72/76/328217276.db2.gz IVLWQFSMPVRBMP-LLVKDONJSA-N 1 0 268.332 1.030 20 10 CDCDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc2c(c1)CCO2 ZINC000131410750 327162052 /nfs/dbraw/zinc/16/20/52/327162052.db2.gz ZELQUEKTQUUZHL-HNNXBMFYSA-N 1 0 264.369 1.024 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000278855467 327198576 /nfs/dbraw/zinc/19/85/76/327198576.db2.gz QRKQBANJTJYEED-HUBLWGQQSA-N 1 0 265.353 1.891 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1F ZINC000377847931 329031732 /nfs/dbraw/zinc/03/17/32/329031732.db2.gz RNSFWLQNYALKCM-LBPRGKRZSA-N 1 0 279.359 1.589 20 10 CDCDRO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc(N(C)C)cc1 ZINC000188789464 329372282 /nfs/dbraw/zinc/37/22/82/329372282.db2.gz BGTGUNVUAKPHLT-LSDHHAIUSA-N 1 0 292.379 1.251 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(O)c1O ZINC000271324423 482835379 /nfs/dbraw/zinc/83/53/79/482835379.db2.gz YBUXKGJDRPLKHW-OLZOCXBDSA-N 1 0 290.363 1.763 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000045661691 520716678 /nfs/dbraw/zinc/71/66/78/520716678.db2.gz IURMBQGZNMAKNZ-GFCCVEGCSA-N 1 0 263.385 1.658 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]CC2)c1O ZINC000050499151 518284124 /nfs/dbraw/zinc/28/41/24/518284124.db2.gz PTRWRFHQWKLFQO-UHFFFAOYSA-N 1 0 252.289 1.139 20 10 CDCDRO CC(C)C(=O)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551409 519500505 /nfs/dbraw/zinc/50/05/05/519500505.db2.gz TVVRDPOGPNNEFV-UHFFFAOYSA-N 1 0 270.760 1.907 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276664072 522036255 /nfs/dbraw/zinc/03/62/55/522036255.db2.gz YHYPLWXASLFTEP-SECBINFHSA-N 1 0 282.315 1.403 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(c3nccn3C)CC2)cc1 ZINC000278493621 522178835 /nfs/dbraw/zinc/17/88/35/522178835.db2.gz JWZKHLKYLQGJTB-UHFFFAOYSA-N 1 0 299.422 1.808 20 10 CDCDRO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000261674932 522439543 /nfs/dbraw/zinc/43/95/43/522439543.db2.gz HAHHZCTYKJBBSL-LLVKDONJSA-N 1 0 286.379 1.827 20 10 CDCDRO COCCN(C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618132 523611761 /nfs/dbraw/zinc/61/17/61/523611761.db2.gz MBWQKLDCERATDH-LLVKDONJSA-N 1 0 270.348 1.760 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@]3(C)CC[NH2+]C3)ccc21 ZINC000237128932 523861138 /nfs/dbraw/zinc/86/11/38/523861138.db2.gz FKLAURIQTFJZJM-KRWDZBQOSA-N 1 0 287.407 1.685 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000264653341 523875251 /nfs/dbraw/zinc/87/52/51/523875251.db2.gz XLLRRLMRWYETEJ-ZDUSSCGKSA-N 1 0 280.368 1.211 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000279347652 524378525 /nfs/dbraw/zinc/37/85/25/524378525.db2.gz FVMCMYABCLAEEB-CQSZACIVSA-N 1 0 278.396 1.853 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1O ZINC000277482916 524407549 /nfs/dbraw/zinc/40/75/49/524407549.db2.gz MUTZYJCVJYOPEZ-ADLMAVQZSA-N 1 0 267.394 1.901 20 10 CDCDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(N)cc1 ZINC000049560563 524470176 /nfs/dbraw/zinc/47/01/76/524470176.db2.gz KENJQWQNNOBTHF-JTQLQIEISA-N 1 0 250.346 1.731 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285705815 524582450 /nfs/dbraw/zinc/58/24/50/524582450.db2.gz CLMFFTWNBJXCOK-NSHDSACASA-N 1 0 261.369 1.280 20 10 CDCDRO C[C@@H](CNC(=O)NCc1ccccc1O)[N@H+](C)C1CC1 ZINC000264302476 524685279 /nfs/dbraw/zinc/68/52/79/524685279.db2.gz OIQDUOUPCOPXGK-NSHDSACASA-N 1 0 277.368 1.674 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000278590056 524756171 /nfs/dbraw/zinc/75/61/71/524756171.db2.gz DUFMYDHILRGYLL-AWEZNQCLSA-N 1 0 267.325 1.032 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800734 524770714 /nfs/dbraw/zinc/77/07/14/524770714.db2.gz VMARKXLLIVRCGL-QWHCGFSZSA-N 1 0 293.411 1.297 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(F)ccc1O ZINC000094616924 525436969 /nfs/dbraw/zinc/43/69/69/525436969.db2.gz UUPSRNSLSFPCHA-GFCCVEGCSA-N 1 0 282.359 1.904 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000292874060 525951340 /nfs/dbraw/zinc/95/13/40/525951340.db2.gz WSJUWDFHYQIPJI-LLVKDONJSA-N 1 0 299.392 1.267 20 10 CDCDRO OCC(CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000087751248 527520562 /nfs/dbraw/zinc/52/05/62/527520562.db2.gz MTKIRTZMAUKKAZ-UHFFFAOYSA-N 1 0 264.369 1.120 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000731115698 575034424 /nfs/dbraw/zinc/03/44/24/575034424.db2.gz GKFFXCSCXNUJBQ-LBPRGKRZSA-N 1 0 277.368 1.533 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000731871251 575067305 /nfs/dbraw/zinc/06/73/05/575067305.db2.gz HYNHZXKTSRCCFF-JTQLQIEISA-N 1 0 268.382 1.914 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000732289055 575087119 /nfs/dbraw/zinc/08/71/19/575087119.db2.gz KCHSRGOZQXIVOT-NWDGAFQWSA-N 1 0 296.392 1.125 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2ccccc2O)CCCOC1 ZINC000770675820 575484908 /nfs/dbraw/zinc/48/49/08/575484908.db2.gz GFNGZNWAKMVMJI-OAHLLOKOSA-N 1 0 279.336 1.594 20 10 CDCDRO CCn1cc(C[NH2+]Cc2c(O)cccc2OC)cn1 ZINC000735676381 575498255 /nfs/dbraw/zinc/49/82/55/575498255.db2.gz MPIYVJQWZZERHM-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO CCOC(=O)C1(C[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000770665762 575510643 /nfs/dbraw/zinc/51/06/43/575510643.db2.gz NVCNEZXDUJIKAV-UHFFFAOYSA-N 1 0 279.336 1.834 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000771812362 575616741 /nfs/dbraw/zinc/61/67/41/575616741.db2.gz HPGGZNUOJPYQEE-CYBMUJFWSA-N 1 0 267.300 1.594 20 10 CDCDRO COC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768446391 576284194 /nfs/dbraw/zinc/28/41/94/576284194.db2.gz JZYYUDAOBIQNQW-NHYWBVRUSA-N 1 0 293.363 1.676 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCSC1 ZINC000768466320 576288046 /nfs/dbraw/zinc/28/80/46/576288046.db2.gz YSXVPUUAGYEUKC-ZWNOBZJWSA-N 1 0 281.377 1.755 20 10 CDCDRO CCOc1ccc(C[NH2+]CCN(CC)CCO)c(O)c1 ZINC000768946771 576319222 /nfs/dbraw/zinc/31/92/22/576319222.db2.gz VPSUVYPSZGRURX-UHFFFAOYSA-N 1 0 282.384 1.195 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC000769326903 576345952 /nfs/dbraw/zinc/34/59/52/576345952.db2.gz QPIUXEQNVIHLNM-UHFFFAOYSA-N 1 0 264.325 1.113 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756660212 576998883 /nfs/dbraw/zinc/99/88/83/576998883.db2.gz LARWDZCIAHZMJK-SFYZADRCSA-N 1 0 256.733 1.960 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)CC2CC2)c(O)c1OC ZINC000893209841 617465104 /nfs/dbraw/zinc/46/51/04/617465104.db2.gz IFHUNFAPDSQCAK-GFCCVEGCSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCCC2)c(O)c1OC ZINC000893319713 617565902 /nfs/dbraw/zinc/56/59/02/617565902.db2.gz JOVDPXKAOUXZEN-UHFFFAOYSA-N 1 0 280.368 1.595 20 10 CDCDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891979515 617930510 /nfs/dbraw/zinc/93/05/10/617930510.db2.gz PRJJHGHRLUYHJI-NWDGAFQWSA-N 1 0 277.368 1.752 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCCCn1ccnc1)OCO2 ZINC000045106435 617589933 /nfs/dbraw/zinc/58/99/33/617589933.db2.gz DQYHLFWRYADGDP-UHFFFAOYSA-N 1 0 289.335 1.887 20 10 CDCDRO [NH3+][C@H]1C[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000852841016 617980442 /nfs/dbraw/zinc/98/04/42/617980442.db2.gz VICWCTMEIVSRCB-KYZUINATSA-N 1 0 271.411 1.479 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)c(O)c1OC ZINC000893100758 618169799 /nfs/dbraw/zinc/16/97/99/618169799.db2.gz WDTNGVZUYXXKMD-NSHDSACASA-N 1 0 294.351 1.120 20 10 CDCDRO C[C@H]1[NH2+]CCN(Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000843057225 618691485 /nfs/dbraw/zinc/69/14/85/618691485.db2.gz GUZRMRRTWRPJAA-ZJUUUORDSA-N 1 0 264.325 1.303 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000894361590 618821244 /nfs/dbraw/zinc/82/12/44/618821244.db2.gz KDEYXAZYDQOVCG-JTQLQIEISA-N 1 0 287.381 1.232 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cncn2C)c(O)c1OC ZINC000894531684 618944185 /nfs/dbraw/zinc/94/41/85/618944185.db2.gz LOSHJCBUVFTGHZ-UHFFFAOYSA-N 1 0 277.324 1.433 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895326508 619564747 /nfs/dbraw/zinc/56/47/47/619564747.db2.gz YOROORSXBULVHD-HIFRSBDPSA-N 1 0 265.353 1.272 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000895435314 619660648 /nfs/dbraw/zinc/66/06/48/619660648.db2.gz ZOWYXTINYQSXKN-PHIMTYICSA-N 1 0 295.335 1.451 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000896384425 620080773 /nfs/dbraw/zinc/08/07/73/620080773.db2.gz KJOUHTDBJIMIKR-GFCCVEGCSA-N 1 0 279.336 1.596 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1CC2(C1)OCCO2 ZINC000896909254 620299446 /nfs/dbraw/zinc/29/94/46/620299446.db2.gz RUGSUXZQENAJFE-UHFFFAOYSA-N 1 0 263.337 1.943 20 10 CDCDRO COc1ccc(C[NH2+]CCO[C@H]2CCOC2)c(O)c1OC ZINC000897199842 620413134 /nfs/dbraw/zinc/41/31/34/620413134.db2.gz MJJIBNMJRRPOOK-LBPRGKRZSA-N 1 0 297.351 1.305 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841031146 621023642 /nfs/dbraw/zinc/02/36/42/621023642.db2.gz XCWWYAXCTMPKBQ-HNNXBMFYSA-N 1 0 295.402 1.735 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1OC ZINC000897679582 621066115 /nfs/dbraw/zinc/06/61/15/621066115.db2.gz BGXMECJXTJOHHW-BXKDBHETSA-N 1 0 267.325 1.222 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC000897684438 621072281 /nfs/dbraw/zinc/07/22/81/621072281.db2.gz OYSIBEFBCCBQRY-UFBFGSQYSA-N 1 0 286.169 1.967 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448537 625999763 /nfs/dbraw/zinc/99/97/63/625999763.db2.gz PKJHGGXHQCYKNP-WFASDCNBSA-N 1 0 292.427 1.209 20 10 CDCDRO CC(=O)N1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042880053 626214769 /nfs/dbraw/zinc/21/47/69/626214769.db2.gz HNLZVGIJEDDGNI-UHFFFAOYSA-N 1 0 292.335 1.221 20 10 CDCDRO [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000906508750 627296908 /nfs/dbraw/zinc/29/69/08/627296908.db2.gz YGNZKMFSTIJDRR-KYZUINATSA-N 1 0 271.158 1.734 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH+](CCO)CC2)cc1F ZINC000154558621 632293076 /nfs/dbraw/zinc/29/30/76/632293076.db2.gz ZBOHUKDNNUYTGK-UHFFFAOYSA-N 1 0 281.375 1.002 20 10 CDCDRO OC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921680286 633160447 /nfs/dbraw/zinc/16/04/47/633160447.db2.gz CSDOYMUWSTZWQS-UHFFFAOYSA-N 1 0 277.364 1.643 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(OC)CCOC2)c1 ZINC000123265937 1165201912 /nfs/dbraw/zinc/20/19/12/1165201912.db2.gz VVLOEUWJFYLDPG-NHYWBVRUSA-N 1 0 281.352 1.857 20 10 CDCDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001576006127 1171311528 /nfs/dbraw/zinc/31/15/28/1171311528.db2.gz QUPHMDPSMQKWRK-QMMMGPOBSA-N 1 0 263.301 1.268 20 10 CDCDRO CC1(C)[C@H](NC(=O)c2cccc(O)c2O)[C@@H]2CCC[NH2+][C@H]21 ZINC001576384290 1171409884 /nfs/dbraw/zinc/40/98/84/1171409884.db2.gz PQCDXZGRZDPKSR-LERXQTSPSA-N 1 0 290.363 1.604 20 10 CDCDRO CCCC[C@@H]([NH3+])C(=O)NCc1c(O)cccc1F ZINC001577410351 1171664303 /nfs/dbraw/zinc/66/43/03/1171664303.db2.gz AOGCWQUGBMPVBH-LLVKDONJSA-N 1 0 254.305 1.665 20 10 CDCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC001578424746 1171905303 /nfs/dbraw/zinc/90/53/03/1171905303.db2.gz UOTSBDGUIKRJLO-HNNXBMFYSA-N 1 0 286.379 1.643 20 10 CDCDRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1Cc2cccc(O)c2C1 ZINC001580754852 1172531270 /nfs/dbraw/zinc/53/12/70/1172531270.db2.gz DRLXWDJJYSIGJB-WXHSDQCUSA-N 1 0 273.336 1.310 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[C@]12CCC[NH2+]C2 ZINC001580888399 1172563273 /nfs/dbraw/zinc/56/32/73/1172563273.db2.gz KICQDLDNLAAHCZ-AWEZNQCLSA-N 1 0 268.307 1.998 20 10 CDCDRO COc1ccc(N2CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000162640252 1180190429 /nfs/dbraw/zinc/19/04/29/1180190429.db2.gz IQUDBGPWVKOPCR-GOEBONIOSA-N 1 0 289.423 1.958 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@]1(C)CO ZINC000827700244 710815626 /nfs/dbraw/zinc/81/56/26/710815626.db2.gz QTMRAKFJFMXELJ-IINYFYTJSA-N 1 0 253.317 1.982 20 10 CDCDRO COc1cccc(O)c1C[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000824926778 705333864 /nfs/dbraw/zinc/33/38/64/705333864.db2.gz SXKQGPUHSLPUCW-BETUJISGSA-N 1 0 294.395 1.288 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCO2)cc1 ZINC000832266236 705339295 /nfs/dbraw/zinc/33/92/95/705339295.db2.gz DLARDBHNPXOOLD-KBPBESRZSA-N 1 0 277.368 1.048 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)C[C@@H](C)[NH3+])CC2)cc1 ZINC000827458462 705447457 /nfs/dbraw/zinc/44/74/57/705447457.db2.gz DCWUKEHKLYWZPP-CYBMUJFWSA-N 1 0 291.395 1.471 20 10 CDCDRO CC(C)[C@H]1CN(C(=O)C2=CC(=O)CS2)CC[NH2+]1 ZINC000856489761 705449622 /nfs/dbraw/zinc/44/96/22/705449622.db2.gz QSHZZQLPUKZXPQ-SNVBAGLBSA-N 1 0 254.355 1.524 20 10 CDCDRO C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841880715 705479830 /nfs/dbraw/zinc/47/98/30/705479830.db2.gz GRNUHUKBJJRGBT-STQMWFEESA-N 1 0 290.411 1.817 20 10 CDCDRO CC[N@H+](CCO)Cc1cccc(Br)c1[O-] ZINC000127963132 705574776 /nfs/dbraw/zinc/57/47/76/705574776.db2.gz CUTIPCCYPQSJAQ-UHFFFAOYSA-N 1 0 274.158 1.969 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c(O)c1 ZINC000818000979 705583918 /nfs/dbraw/zinc/58/39/18/705583918.db2.gz WUIYKGSWENWRDM-GXFFZTMASA-N 1 0 278.352 1.405 20 10 CDCDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182434580 705584988 /nfs/dbraw/zinc/58/49/88/705584988.db2.gz NSOLIANCEHYOCV-QWRGUYRKSA-N 1 0 269.341 1.449 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2COCC[C@H]2O)c2c1c(F)ccc2O ZINC000866498575 705603302 /nfs/dbraw/zinc/60/33/02/705603302.db2.gz ZWPFGXVJYKYULQ-JTLRNRKASA-N 1 0 281.327 1.819 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COC[C@H]2OC)c1 ZINC000839194617 705609537 /nfs/dbraw/zinc/60/95/37/705609537.db2.gz CJVGDUOKCVJHBI-LJWDBELGSA-N 1 0 267.325 1.465 20 10 CDCDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000837005486 705609925 /nfs/dbraw/zinc/60/99/25/705609925.db2.gz PUWAYMKZPBLTHX-GFCCVEGCSA-N 1 0 292.379 1.963 20 10 CDCDRO OCCCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000224946429 705613317 /nfs/dbraw/zinc/61/33/17/705613317.db2.gz KNHMUUBYFMZVDM-UHFFFAOYSA-N 1 0 267.325 1.763 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000844166693 705627812 /nfs/dbraw/zinc/62/78/12/705627812.db2.gz PTMAUHWGFRKBJY-ZDUSSCGKSA-N 1 0 297.349 1.614 20 10 CDCDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000129427066 705631322 /nfs/dbraw/zinc/63/13/22/705631322.db2.gz KPDXKJKVNJPITP-JKSUJKDBSA-N 1 0 290.407 1.772 20 10 CDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841781408 705657061 /nfs/dbraw/zinc/65/70/61/705657061.db2.gz XMIDOZIKELRWCD-ZDUSSCGKSA-N 1 0 292.427 1.841 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000228930485 705667261 /nfs/dbraw/zinc/66/72/61/705667261.db2.gz KRPPZWDGRYQSGC-LLVKDONJSA-N 1 0 250.342 1.703 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000840957176 705669263 /nfs/dbraw/zinc/66/92/63/705669263.db2.gz HQJBCIYBZQQNQK-HNNXBMFYSA-N 1 0 289.423 1.971 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000224554267 705732850 /nfs/dbraw/zinc/73/28/50/705732850.db2.gz QWUJFWOYJVCTTI-SNVBAGLBSA-N 1 0 265.231 1.414 20 10 CDCDRO C[C@H]([NH2+]CCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000037212796 705737499 /nfs/dbraw/zinc/73/74/99/705737499.db2.gz HWVKLBPGECARNC-AWEZNQCLSA-N 1 0 277.412 1.735 20 10 CDCDRO CN1CCCc2cc(CN[C@@H]3C[NH2+]CCOC3)ccc21 ZINC000925532355 705747880 /nfs/dbraw/zinc/74/78/80/705747880.db2.gz RHBRIQSVGHMUQS-OAHLLOKOSA-N 1 0 275.396 1.147 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[NH2+]C1CC1 ZINC000237082404 705805755 /nfs/dbraw/zinc/80/57/55/705805755.db2.gz KHBKAEBJKQTIQM-UHFFFAOYSA-N 1 0 261.369 1.429 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1 ZINC000841098445 705876743 /nfs/dbraw/zinc/87/67/43/705876743.db2.gz DXRRCYMFFIAJBZ-INIZCTEOSA-N 1 0 277.412 1.611 20 10 CDCDRO CN(C)c1ccc(CNC(=[NH2+])NCC(F)F)cc1F ZINC000887352550 705909021 /nfs/dbraw/zinc/90/90/21/705909021.db2.gz DZJXBZBJNRWNLH-UHFFFAOYSA-N 1 0 274.290 1.771 20 10 CDCDRO COc1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)c(O)c1 ZINC000832178066 705973113 /nfs/dbraw/zinc/97/31/13/705973113.db2.gz MLBWZSBWWDJEID-NSHDSACASA-N 1 0 296.392 1.112 20 10 CDCDRO CC(C)([NH3+])c1nocc1C(=O)NCc1ccccc1O ZINC000848426462 705990831 /nfs/dbraw/zinc/99/08/31/705990831.db2.gz CTNDELKNSRDEIP-UHFFFAOYSA-N 1 0 275.308 1.504 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(O)c1 ZINC000877547978 705994028 /nfs/dbraw/zinc/99/40/28/705994028.db2.gz BMOUEEBPNXFPBN-ZDUSSCGKSA-N 1 0 297.420 1.957 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000775984959 706029284 /nfs/dbraw/zinc/02/92/84/706029284.db2.gz IRJOZIJPJKFARO-NWDGAFQWSA-N 1 0 264.369 1.925 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841884180 706041844 /nfs/dbraw/zinc/04/18/44/706041844.db2.gz YNEFGHQLTUSXRH-JSGCOSHPSA-N 1 0 290.411 1.865 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047759 706060687 /nfs/dbraw/zinc/06/06/87/706060687.db2.gz SMUFYKXAEUBFAA-SNVBAGLBSA-N 1 0 295.339 1.480 20 10 CDCDRO CCCN(Cc1cccc(OC)c1O)[C@@H]1CC[NH2+]C1 ZINC000071314516 706062636 /nfs/dbraw/zinc/06/26/36/706062636.db2.gz TWTVAOZDCWGNRK-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1ccc(O)c(CN[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000841090265 706079224 /nfs/dbraw/zinc/07/92/24/706079224.db2.gz HKWKXUJYROCOKC-LLVKDONJSA-N 1 0 278.274 1.770 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000814174090 706115860 /nfs/dbraw/zinc/11/58/60/706115860.db2.gz YISCZGUJQCAFKC-GXFFZTMASA-N 1 0 250.317 1.667 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(O)c1O ZINC000862793452 709602788 /nfs/dbraw/zinc/60/27/88/709602788.db2.gz PLZRWXLFVDFLFM-GFCCVEGCSA-N 1 0 292.379 1.868 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000166477354 709649022 /nfs/dbraw/zinc/64/90/22/709649022.db2.gz UPCIOPBHEKNMAY-XPTSAGLGSA-N 1 0 281.327 1.937 20 10 CDCDRO CCOCc1cc(CN[C@@H](C)C[NH2+]C)ccc1OC ZINC000853248615 709671165 /nfs/dbraw/zinc/67/11/65/709671165.db2.gz HWEDRCZLDSXQSG-LBPRGKRZSA-N 1 0 266.385 1.929 20 10 CDCDRO Cc1ccc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(O)c1 ZINC000877460332 709799061 /nfs/dbraw/zinc/79/90/61/709799061.db2.gz PLOACSGJSXMHGV-AWEZNQCLSA-N 1 0 292.423 1.978 20 10 CDCDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000126352527 709829180 /nfs/dbraw/zinc/82/91/80/709829180.db2.gz LMNDCWGFJQLEMB-SNVBAGLBSA-N 1 0 264.325 1.169 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)CC2 ZINC000817976797 709833115 /nfs/dbraw/zinc/83/31/15/709833115.db2.gz UIZQYVAGVBKTTC-SRVKXCTJSA-N 1 0 250.317 1.669 20 10 CDCDRO CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCC[N@@H+]1C ZINC000817373837 709834162 /nfs/dbraw/zinc/83/41/62/709834162.db2.gz OVPGOQHSOUUGNW-DOMZBBRYSA-N 1 0 292.379 1.344 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000069173279 709870573 /nfs/dbraw/zinc/87/05/73/709870573.db2.gz CRROJBBIMRFGBG-UHFFFAOYSA-N 1 0 270.398 1.277 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788266787 710014686 /nfs/dbraw/zinc/01/46/86/710014686.db2.gz BQXOGFDVNQMLQX-CMPLNLGQSA-N 1 0 251.326 1.746 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000935945952 710165715 /nfs/dbraw/zinc/16/57/15/710165715.db2.gz QZTQBELCCQKMHC-LLVKDONJSA-N 1 0 283.368 1.446 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160362116 710225711 /nfs/dbraw/zinc/22/57/11/710225711.db2.gz OWSKFBPVGKVGTP-GFCCVEGCSA-N 1 0 264.325 1.241 20 10 CDCDRO O[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000188847724 710230958 /nfs/dbraw/zinc/23/09/58/710230958.db2.gz FFAMVTFIBYEPEC-WBVHZDCISA-N 1 0 290.407 1.774 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000798940139 710250605 /nfs/dbraw/zinc/25/06/05/710250605.db2.gz AOCPCIOHNFBHBI-WCBMZHEXSA-N 1 0 275.295 1.718 20 10 CDCDRO COc1c(O)c(CN2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843047184 710262321 /nfs/dbraw/zinc/26/23/21/710262321.db2.gz ITQKBJHORXNXAD-VIFPVBQESA-N 1 0 281.312 1.103 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(O)c1 ZINC000876596902 710372880 /nfs/dbraw/zinc/37/28/80/710372880.db2.gz VITNDULLIPFFAH-CQSZACIVSA-N 1 0 274.364 1.944 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)CCF)c1O ZINC000846209685 710397366 /nfs/dbraw/zinc/39/73/66/710397366.db2.gz SCWTYNNNEKLWMK-VHSXEESVSA-N 1 0 257.305 1.772 20 10 CDCDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854229932 710397966 /nfs/dbraw/zinc/39/79/66/710397966.db2.gz APYFEZMBFZHFTF-SJORKVTESA-N 1 0 289.423 1.617 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COC[C@H]2OC)c1 ZINC000839194615 710407768 /nfs/dbraw/zinc/40/77/68/710407768.db2.gz CJVGDUOKCVJHBI-DUFXMDAXSA-N 1 0 267.325 1.465 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000322527528 710484789 /nfs/dbraw/zinc/48/47/89/710484789.db2.gz OJCOQAGTHPIMIP-BDAKNGLRSA-N 1 0 254.305 1.707 20 10 CDCDRO CC[N@H+](CCNC(=O)c1cccc(O)c1O)C(C)C ZINC000790627969 710492657 /nfs/dbraw/zinc/49/26/57/710492657.db2.gz WKFZWOZWUQRTCM-UHFFFAOYSA-N 1 0 266.341 1.558 20 10 CDCDRO CCOc1ccc(CNC[C@H]2CCC[NH2+]2)c(O)c1 ZINC000841035119 710501935 /nfs/dbraw/zinc/50/19/35/710501935.db2.gz HOYAIKMOVANRSA-GFCCVEGCSA-N 1 0 250.342 1.633 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000858543451 710520015 /nfs/dbraw/zinc/52/00/15/710520015.db2.gz JAEVMPDZCKQXCQ-GARJFASQSA-N 1 0 251.326 1.822 20 10 CDCDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000839195604 710525601 /nfs/dbraw/zinc/52/56/01/710525601.db2.gz LLNVVTODQJVMNP-SECBINFHSA-N 1 0 252.289 1.147 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000222006907 710532723 /nfs/dbraw/zinc/53/27/23/710532723.db2.gz HNDSTMRLLVMUKV-GFCCVEGCSA-N 1 0 299.440 1.343 20 10 CDCDRO COC(C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)OC ZINC000162328268 710542906 /nfs/dbraw/zinc/54/29/06/710542906.db2.gz ULDJHNQKSPHMFW-ZDUSSCGKSA-N 1 0 294.395 1.793 20 10 CDCDRO CON1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000709346882 710552427 /nfs/dbraw/zinc/55/24/27/710552427.db2.gz TVVRQKYOBKLRDX-UHFFFAOYSA-N 1 0 280.324 1.236 20 10 CDCDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817945034 710563840 /nfs/dbraw/zinc/56/38/40/710563840.db2.gz RVLRFOLBVMWWNU-TZMCWYRMSA-N 1 0 293.386 1.675 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COC[C@H]2OC)c1O ZINC000846171172 710576241 /nfs/dbraw/zinc/57/62/41/710576241.db2.gz DZPXBTPJLHDGOO-UFGOTCBOSA-N 1 0 267.325 1.465 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000839665042 710579580 /nfs/dbraw/zinc/57/95/80/710579580.db2.gz GIYRMOQGITZBDP-HOCLYGCPSA-N 1 0 278.396 1.318 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2C1 ZINC000880312835 710585018 /nfs/dbraw/zinc/58/50/18/710585018.db2.gz WQOWLIVRAOJJRR-IYBDPMFKSA-N 1 0 287.407 1.663 20 10 CDCDRO CNC(=O)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000053774476 710585232 /nfs/dbraw/zinc/58/52/32/710585232.db2.gz BRMHQEILPFIWCK-UHFFFAOYSA-N 1 0 291.395 1.343 20 10 CDCDRO COCC[N@@H+](Cc1ccccc1O)C[C@H](O)C(F)(F)F ZINC000848921843 710625358 /nfs/dbraw/zinc/62/53/58/710625358.db2.gz HZSBYXFWVIGPTD-LBPRGKRZSA-N 1 0 293.285 1.764 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000079497957 710627256 /nfs/dbraw/zinc/62/72/56/710627256.db2.gz XDWKFBPVOQMSCY-SECBINFHSA-N 1 0 296.342 1.548 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](C)[NH3+])C2)cc1 ZINC000831752823 710660730 /nfs/dbraw/zinc/66/07/30/710660730.db2.gz FLPQDNGVKYDWSK-OLZOCXBDSA-N 1 0 291.395 1.375 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCN2CCCO)c1O ZINC000824565472 710719296 /nfs/dbraw/zinc/71/92/96/710719296.db2.gz WOPGESXFLBHHKY-HNNXBMFYSA-N 1 0 278.396 1.637 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCNC(=O)CC2)c(O)c1 ZINC000396763466 710771346 /nfs/dbraw/zinc/77/13/46/710771346.db2.gz KQHSTKPIQPHQRS-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO COCC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000181854211 710829322 /nfs/dbraw/zinc/82/93/22/710829322.db2.gz CMBGGRYGJAHVEP-UHFFFAOYSA-N 1 0 269.341 1.924 20 10 CDCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922640527 710832608 /nfs/dbraw/zinc/83/26/08/710832608.db2.gz GPXZTHVGDSMYRY-DOMZBBRYSA-N 1 0 294.370 1.787 20 10 CDCDRO C[C@H]1CC[N@H+](CCNC(=O)N(C)Cc2ccccc2O)C1 ZINC000897427955 710849275 /nfs/dbraw/zinc/84/92/75/710849275.db2.gz BJCGOOUKOPFPGV-ZDUSSCGKSA-N 1 0 291.395 1.875 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCSC[C@H]2CO)c1O ZINC000877780609 710850368 /nfs/dbraw/zinc/85/03/68/710850368.db2.gz WHVMXXHKFDZHHC-CYBMUJFWSA-N 1 0 267.394 1.864 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000841655003 711387480 /nfs/dbraw/zinc/38/74/80/711387480.db2.gz QWLPZMYPBUETSV-KGLIPLIRSA-N 1 0 290.411 1.679 20 10 CDCDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000120246539 711396913 /nfs/dbraw/zinc/39/69/13/711396913.db2.gz YETILPAIJHBMBH-MRXNPFEDSA-N 1 0 276.380 1.792 20 10 CDCDRO COC(=O)CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000700828685 711445946 /nfs/dbraw/zinc/44/59/46/711445946.db2.gz BMBSQNPLWICXLL-UHFFFAOYSA-N 1 0 262.353 1.851 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000828667137 711459636 /nfs/dbraw/zinc/45/96/36/711459636.db2.gz MWQVZAVVJYAZHJ-WDEREUQCSA-N 1 0 278.352 1.720 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)c2c1c(F)ccc2O ZINC000858601076 711474905 /nfs/dbraw/zinc/47/49/05/711474905.db2.gz BJFPSVWJTNVURJ-GMXVVIOVSA-N 1 0 294.370 1.736 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522524 711493874 /nfs/dbraw/zinc/49/38/74/711493874.db2.gz LGEBLHHPIYOASO-VIFPVBQESA-N 1 0 275.345 1.617 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c1O ZINC000843385992 711502919 /nfs/dbraw/zinc/50/29/19/711502919.db2.gz GJGSTYYHBCFERE-XHDPSFHLSA-N 1 0 292.354 1.918 20 10 CDCDRO C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC000841956132 711508491 /nfs/dbraw/zinc/50/84/91/711508491.db2.gz WFSOBLHSAMTRDU-OCCSQVGLSA-N 1 0 290.411 1.438 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020195931 711554607 /nfs/dbraw/zinc/55/46/07/711554607.db2.gz SPIUKYXPJBYQCS-AWEZNQCLSA-N 1 0 264.369 1.384 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843066387 711603099 /nfs/dbraw/zinc/60/30/99/711603099.db2.gz WDKKLTDKUYXEAR-CYBMUJFWSA-N 1 0 278.396 1.366 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964500 711608165 /nfs/dbraw/zinc/60/81/65/711608165.db2.gz AQHPGRNGWOUSDV-QPUJVOFHSA-N 1 0 265.313 1.688 20 10 CDCDRO Cn1ncc(CCC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922145726 711615960 /nfs/dbraw/zinc/61/59/60/711615960.db2.gz CDLXEBGXOVJGMI-UHFFFAOYSA-N 1 0 286.379 1.863 20 10 CDCDRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000717808725 711627846 /nfs/dbraw/zinc/62/78/46/711627846.db2.gz BHKJNTUVFBRKMM-MRVPVSSYSA-N 1 0 293.241 1.524 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)cc1C ZINC000191524684 711633379 /nfs/dbraw/zinc/63/33/79/711633379.db2.gz XXPQXNFVORGERC-OCCSQVGLSA-N 1 0 265.353 1.591 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000877072945 711641394 /nfs/dbraw/zinc/64/13/94/711641394.db2.gz YLLKSJUXSHNIDZ-AWEZNQCLSA-N 1 0 261.325 1.257 20 10 CDCDRO COc1cccc(C[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000134591771 711667386 /nfs/dbraw/zinc/66/73/86/711667386.db2.gz OAAYXCTXHXYEGQ-UHFFFAOYSA-N 1 0 280.368 1.795 20 10 CDCDRO C[NH+](C)[C@]1(CNC(=O)c2cccc(O)c2O)CCSC1 ZINC000790855309 711672443 /nfs/dbraw/zinc/67/24/43/711672443.db2.gz LDZGLTQMJQLFLT-AWEZNQCLSA-N 1 0 296.392 1.265 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000846172960 711687785 /nfs/dbraw/zinc/68/77/85/711687785.db2.gz OEELWYGQZODDGT-QWRGUYRKSA-N 1 0 280.368 1.965 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000222184854 711709979 /nfs/dbraw/zinc/70/99/79/711709979.db2.gz YMRQZOXSPGFXQR-GFCCVEGCSA-N 1 0 276.384 1.256 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000825196275 711717538 /nfs/dbraw/zinc/71/75/38/711717538.db2.gz BJSILIRCIRENJS-DGCLKSJQSA-N 1 0 271.744 1.939 20 10 CDCDRO C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CC[NH+](C)CC1 ZINC000886524892 711727295 /nfs/dbraw/zinc/72/72/95/711727295.db2.gz STLUZRJZKQLECJ-STQMWFEESA-N 1 0 295.402 1.818 20 10 CDCDRO O=C(NCCc1ccc(O)c(O)c1)c1ccc2c[nH+]cn2c1 ZINC000786393394 711756766 /nfs/dbraw/zinc/75/67/66/711756766.db2.gz PQAXPYJOPAXWGR-UHFFFAOYSA-N 1 0 297.314 1.718 20 10 CDCDRO C[NH2+][C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000843044825 711760807 /nfs/dbraw/zinc/76/08/07/711760807.db2.gz KPAQOUDCTPTKGD-NSHDSACASA-N 1 0 266.341 1.203 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000877489903 711760859 /nfs/dbraw/zinc/76/08/59/711760859.db2.gz XZFSVZAQIQOBLD-UHFFFAOYSA-N 1 0 283.393 1.758 20 10 CDCDRO CCc1cccc(C[NH2+]C2CN(C(=O)OC)C2)c1O ZINC000848898395 711761459 /nfs/dbraw/zinc/76/14/59/711761459.db2.gz BRMAGARQTYIYNU-UHFFFAOYSA-N 1 0 264.325 1.495 20 10 CDCDRO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C[NH+](C)C ZINC000708446183 711764087 /nfs/dbraw/zinc/76/40/87/711764087.db2.gz ZRQUDEGWOMFMRU-SECBINFHSA-N 1 0 258.312 1.958 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c(O)c1 ZINC000877568002 711766823 /nfs/dbraw/zinc/76/68/23/711766823.db2.gz DPAFAEPLWIRSSI-OKILXGFUSA-N 1 0 278.396 1.588 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000788830245 711783956 /nfs/dbraw/zinc/78/39/56/711783956.db2.gz BJZJFTYSRLMJBF-UHFFFAOYSA-N 1 0 277.368 1.683 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1O ZINC000817412328 711785374 /nfs/dbraw/zinc/78/53/74/711785374.db2.gz IVTSJGNFRZOJHG-NEPJUHHUSA-N 1 0 265.353 1.851 20 10 CDCDRO Oc1cc2c(cc1CN1CCC[C@H]3C[NH2+]C[C@H]31)OCO2 ZINC000841027535 711786917 /nfs/dbraw/zinc/78/69/17/711786917.db2.gz RHMYVRBDWYNNCT-CMPLNLGQSA-N 1 0 276.336 1.305 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(O)c1 ZINC000783735319 711788766 /nfs/dbraw/zinc/78/87/66/711788766.db2.gz PGGFGEUUKTVELI-SWLSCSKDSA-N 1 0 263.337 1.605 20 10 CDCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000842220891 711793083 /nfs/dbraw/zinc/79/30/83/711793083.db2.gz JJMAUONMIWJDRV-CZUORRHYSA-N 1 0 278.396 1.508 20 10 CDCDRO CC[NH2+]CC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000844172901 711796174 /nfs/dbraw/zinc/79/61/74/711796174.db2.gz JIBNEZRHQUFLJH-UHFFFAOYSA-N 1 0 263.385 1.759 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CC[N@@H+]1C ZINC000841835988 711798895 /nfs/dbraw/zinc/79/88/95/711798895.db2.gz JMTSBUUWCWVOEE-WFASDCNBSA-N 1 0 290.411 1.593 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000125449575 711814069 /nfs/dbraw/zinc/81/40/69/711814069.db2.gz VZTNVQBCALBCGJ-UHFFFAOYSA-N 1 0 278.352 1.407 20 10 CDCDRO CCOc1cccc(CNC[C@H]2CCC[NH2+]2)c1O ZINC000841036052 711819714 /nfs/dbraw/zinc/81/97/14/711819714.db2.gz NQTNYKKUQDRVEI-GFCCVEGCSA-N 1 0 250.342 1.633 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(C(=O)OC)CC2)c1O ZINC000848904003 711828941 /nfs/dbraw/zinc/82/89/41/711828941.db2.gz IFLBMALIDUMOEF-UHFFFAOYSA-N 1 0 263.337 1.997 20 10 CDCDRO CC[C@H](C)[N@H+](CCO)Cc1cc(OC)ccc1O ZINC000862387139 711830766 /nfs/dbraw/zinc/83/07/66/711830766.db2.gz HMEIKPUVLQNTNM-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](O)C2CC2)c1 ZINC000809751789 711831247 /nfs/dbraw/zinc/83/12/47/711831247.db2.gz KKSOFBYWIIPFTH-CQSZACIVSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1O ZINC000136822974 711836322 /nfs/dbraw/zinc/83/63/22/711836322.db2.gz CLSYDXPEKMBVTP-RYUDHWBXSA-N 1 0 265.353 1.994 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1=O ZINC000824886641 711837100 /nfs/dbraw/zinc/83/71/00/711837100.db2.gz GQPIOAGYGMUIPK-MRVPVSSYSA-N 1 0 286.734 1.895 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000126851518 1166130172 /nfs/dbraw/zinc/13/01/72/1166130172.db2.gz RTAFIZSKVRCCAS-VXGBXAGGSA-N 1 0 264.369 1.960 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CCOC)CC2)cc1 ZINC001209214967 894551900 /nfs/dbraw/zinc/55/19/00/894551900.db2.gz JVBHHFHDOVCEOM-UHFFFAOYSA-N 1 0 264.369 1.854 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000690739964 896804167 /nfs/dbraw/zinc/80/41/67/896804167.db2.gz RKGNNWJELWJGAG-GFCCVEGCSA-N 1 0 263.341 1.197 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000690787918 898216418 /nfs/dbraw/zinc/21/64/18/898216418.db2.gz BPNFHFIFHRCRFO-AAEUAGOBSA-N 1 0 263.337 1.869 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@]1(C)O ZINC001141156367 899822704 /nfs/dbraw/zinc/82/27/04/899822704.db2.gz KUPXNIQOZKLBFP-YGRLFVJLSA-N 1 0 251.326 1.691 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236027888 914581827 /nfs/dbraw/zinc/58/18/27/914581827.db2.gz PGOAWKNYDYNHDG-NOZJJQNGSA-N 1 0 268.744 1.587 20 10 CDCDRO COc1ccc(C[N@H+](C)CCN2CCOCC2)c(O)c1 ZINC000092974969 904516695 /nfs/dbraw/zinc/51/66/95/904516695.db2.gz IZDCUOOOAMJCLQ-UHFFFAOYSA-N 1 0 280.368 1.165 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CCO1 ZINC001168078152 906731350 /nfs/dbraw/zinc/73/13/50/906731350.db2.gz KOQWUPIJIUUILP-JQWIXIFHSA-N 1 0 251.326 1.797 20 10 CDCDRO [NH3+][C@H]1CN(Cc2c(O)ccc(F)c2F)CC(F)(F)C1 ZINC001206139592 910827509 /nfs/dbraw/zinc/82/75/09/910827509.db2.gz LFFYSYVJOVDSLK-SSDOTTSWSA-N 1 0 278.249 1.839 20 10 CDCDRO CCOc1ccc(N2CCN(C[C@@H](C)[NH3+])CC2)cc1 ZINC001236434724 915436881 /nfs/dbraw/zinc/43/68/81/915436881.db2.gz WKBGHRNWBYVWNB-CYBMUJFWSA-N 1 0 263.385 1.555 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180128823 916147400 /nfs/dbraw/zinc/14/74/00/916147400.db2.gz VWTFSNGKPQBRCX-YKWSONSWSA-N 1 0 275.396 1.832 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](F)C[C@H]([NH3+])C2)c(Cl)c1 ZINC001206445096 916906142 /nfs/dbraw/zinc/90/61/42/916906142.db2.gz NAWLLKPZMPASEF-BDAKNGLRSA-N 1 0 288.750 1.925 20 10 CDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2c(O)ccc(F)c2F)C1 ZINC001206447426 916991628 /nfs/dbraw/zinc/99/16/28/916991628.db2.gz YBPOFISNHDGPNW-JGVFFNPUSA-N 1 0 260.259 1.542 20 10 CDCDRO Oc1cccc(F)c1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001137841456 936419968 /nfs/dbraw/zinc/41/99/68/936419968.db2.gz FLSXLOZVDBSTOC-ZDUSSCGKSA-N 1 0 294.370 1.828 20 10 CDCDRO CON1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000692161593 918196550 /nfs/dbraw/zinc/19/65/50/918196550.db2.gz WGNLDSPJJBICAC-UHFFFAOYSA-N 1 0 250.342 1.816 20 10 CDCDRO CNC(=O)CN(C)Cc1c(C)n(C)c2ccccc21 ZINC001138252560 936501904 /nfs/dbraw/zinc/50/19/04/936501904.db2.gz LNQTTXLKKOVCJD-UHFFFAOYSA-N 1 0 259.353 1.665 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCOC[C@](C)(O)C3)ccc21 ZINC001138354234 936525094 /nfs/dbraw/zinc/52/50/94/936525094.db2.gz BRBXGVAQILIMBU-QGZVFWFLSA-N 1 0 290.407 1.652 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001203620417 919674572 /nfs/dbraw/zinc/67/45/72/919674572.db2.gz FBEQFMYXKKPFDE-YPMHNXCESA-N 1 0 255.289 1.306 20 10 CDCDRO C[NH+](C)C1CN(Cc2c(O)cccc2Br)C1 ZINC001140098805 936678342 /nfs/dbraw/zinc/67/83/42/936678342.db2.gz LXXHFBIHJRYEJN-UHFFFAOYSA-N 1 0 285.185 1.901 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001140620012 936731601 /nfs/dbraw/zinc/73/16/01/936731601.db2.gz ZFMAIALJYFKBOJ-IVMMDQJWSA-N 1 0 277.364 1.672 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c1O ZINC001140741792 936748337 /nfs/dbraw/zinc/74/83/37/936748337.db2.gz CEIOSEURBYJPIF-GWCFXTLKSA-N 1 0 265.353 1.999 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747704 936749799 /nfs/dbraw/zinc/74/97/99/936749799.db2.gz JFUYJTTVYZIBGN-GFCCVEGCSA-N 1 0 264.325 1.117 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1ccc2c(c1)OCCN2C ZINC001141143275 936819454 /nfs/dbraw/zinc/81/94/54/936819454.db2.gz RYFZVXOQSOVOPM-UHFFFAOYSA-N 1 0 277.368 1.213 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@]34CCOC4)ccc21 ZINC001141146151 936820470 /nfs/dbraw/zinc/82/04/70/936820470.db2.gz MPLKHWBIUQIYLX-MRXNPFEDSA-N 1 0 274.364 1.880 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCC1(F)F ZINC001141155952 936821315 /nfs/dbraw/zinc/82/13/15/936821315.db2.gz BVOCJOGIKIDJBE-JTQLQIEISA-N 1 0 273.279 1.547 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156102 936821504 /nfs/dbraw/zinc/82/15/04/936821504.db2.gz FFNYIADUGYUVEF-VIFPVBQESA-N 1 0 251.282 1.093 20 10 CDCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(O)ccc1O ZINC001141156323 936821538 /nfs/dbraw/zinc/82/15/38/936821538.db2.gz JJYKSUUXDRUMQH-UHFFFAOYSA-N 1 0 267.325 1.873 20 10 CDCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160678 936823278 /nfs/dbraw/zinc/82/32/78/936823278.db2.gz GZXONVIMFHSBKW-ZDUSSCGKSA-N 1 0 251.326 1.833 20 10 CDCDRO [NH3+]CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710110 937012126 /nfs/dbraw/zinc/01/21/26/937012126.db2.gz SRIRZQXEVTZTPS-UHFFFAOYSA-N 1 0 262.357 1.045 20 10 CDCDRO CCCC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001252077114 926300300 /nfs/dbraw/zinc/30/03/00/926300300.db2.gz DFRVNOIKBBGABE-SMDDNHRTSA-N 1 0 269.341 1.272 20 10 CDCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001169443467 928036595 /nfs/dbraw/zinc/03/65/95/928036595.db2.gz HAVZYDXBYZBTTP-LLVKDONJSA-N 1 0 280.368 1.834 20 10 CDCDRO CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1O ZINC000697579823 937283901 /nfs/dbraw/zinc/28/39/01/937283901.db2.gz OIZLBUXYXLFFQB-JQWIXIFHSA-N 1 0 271.382 1.866 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](CO)CCOC)c1O ZINC000691493966 929068358 /nfs/dbraw/zinc/06/83/58/929068358.db2.gz MJUBLGFUSHVMQS-ZDUSSCGKSA-N 1 0 253.342 1.442 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691397090 931466403 /nfs/dbraw/zinc/46/64/03/931466403.db2.gz WPFUUJKVIBTMND-SSDOTTSWSA-N 1 0 260.131 1.625 20 10 CDCDRO COC[C@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144503870 931865420 /nfs/dbraw/zinc/86/54/20/931865420.db2.gz GNORCCMHLONRNK-SNVBAGLBSA-N 1 0 267.325 1.804 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)CCO)c1 ZINC000846111221 931975430 /nfs/dbraw/zinc/97/54/30/931975430.db2.gz MXRMWYCGGYGMPD-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCOC[C@H]2C)c1O ZINC001119445863 937720485 /nfs/dbraw/zinc/72/04/85/937720485.db2.gz QSPBVGKPGWXEGK-CYBMUJFWSA-N 1 0 294.395 1.520 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c1O ZINC000692092363 934380987 /nfs/dbraw/zinc/38/09/87/934380987.db2.gz KSYZEQDTOXPNIB-INIZCTEOSA-N 1 0 276.380 1.913 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]2C)cc1C ZINC001122927736 936083947 /nfs/dbraw/zinc/08/39/47/936083947.db2.gz FKAVDPJJRRWPKD-RISCZKNCSA-N 1 0 276.380 1.865 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001157755344 938541356 /nfs/dbraw/zinc/54/13/56/938541356.db2.gz PRGBUBPCLOHLPF-OAHLLOKOSA-N 1 0 279.359 1.491 20 10 CDCDRO COc1cccc(CN2CCc3ncn(C)c3C2)c1O ZINC001203601795 939695354 /nfs/dbraw/zinc/69/53/54/939695354.db2.gz LIVOTQMCSTXVAN-UHFFFAOYSA-N 1 0 273.336 1.693 20 10 CDCDRO CCOC(=O)C1C[NH+](Cc2cccc(OCC)c2O)C1 ZINC001203609381 939696236 /nfs/dbraw/zinc/69/62/36/939696236.db2.gz QAQSTPZTDOFNKL-UHFFFAOYSA-N 1 0 279.336 1.786 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC001203621682 939697129 /nfs/dbraw/zinc/69/71/29/939697129.db2.gz YQIHEWIBXMCNMM-LLVKDONJSA-N 1 0 287.306 1.850 20 10 CDCDRO COc1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c(O)c1 ZINC001203634994 939698950 /nfs/dbraw/zinc/69/89/50/939698950.db2.gz FIKJHUZONKRTQA-UHFFFAOYSA-N 1 0 276.336 1.065 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883230 939711431 /nfs/dbraw/zinc/71/14/31/939711431.db2.gz GLEMCEVGHVCHIX-CQSZACIVSA-N 1 0 265.309 1.483 20 10 CDCDRO Oc1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc1O ZINC001203880762 939711764 /nfs/dbraw/zinc/71/17/64/939711764.db2.gz YVFAXKAMQHNWQH-AGCIHXOGSA-N 1 0 261.321 1.707 20 10 CDCDRO C[N@H+](Cc1ccc(O)cc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001204277355 939751257 /nfs/dbraw/zinc/75/12/57/939751257.db2.gz BFLAXITWUWZSQZ-GFCCVEGCSA-N 1 0 279.336 1.825 20 10 CDCDRO COc1cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)cc(O)c1O ZINC001204341883 939757612 /nfs/dbraw/zinc/75/76/12/939757612.db2.gz HRBPGIQGVPKVOO-LLVKDONJSA-N 1 0 299.367 1.060 20 10 CDCDRO [NH3+][C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001205117939 939824630 /nfs/dbraw/zinc/82/46/30/939824630.db2.gz ZHVXGVNGQQSOND-JTQLQIEISA-N 1 0 256.296 1.984 20 10 CDCDRO Cc1cc(O)c(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc1Cl ZINC001206097407 939980194 /nfs/dbraw/zinc/98/01/94/939980194.db2.gz QIAUKIWDGIXQTP-VXGBXAGGSA-N 1 0 270.760 1.248 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197911 939996510 /nfs/dbraw/zinc/99/65/10/939996510.db2.gz KILYULKKVOOJCZ-ZJUUUORDSA-N 1 0 270.304 1.065 20 10 CDCDRO COc1ccc(N2CC3(CN(CC[NH+](C)C)C3)C2)c(C)c1 ZINC001277022802 941829233 /nfs/dbraw/zinc/82/92/33/941829233.db2.gz RASDGKPWLVXSFA-UHFFFAOYSA-N 1 0 289.423 1.687 20 10 CDCDRO NC(=O)[C@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277210646 942177955 /nfs/dbraw/zinc/17/79/55/942177955.db2.gz XKUDIXIPRRHJIY-OAHLLOKOSA-N 1 0 285.391 1.594 20 10 CDCDRO Cc1cccc(CN2CCOC[C@@H]2C[NH+](C)C)c1O ZINC001231594132 942938186 /nfs/dbraw/zinc/93/81/86/942938186.db2.gz SZNAHUCOXSMQNQ-AWEZNQCLSA-N 1 0 264.369 1.463 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)CC2)c(O)cc1O ZINC001231633937 942949715 /nfs/dbraw/zinc/94/97/15/942949715.db2.gz DZSMBMRDMAPQJJ-NSHDSACASA-N 1 0 267.325 1.453 20 10 CDCDRO COc1cc(C[N@H+](C)[C@H]2CCCOC2)c(O)cc1O ZINC001231641070 942956930 /nfs/dbraw/zinc/95/69/30/942956930.db2.gz YSRZGLQHSNHKNK-NSHDSACASA-N 1 0 267.325 1.717 20 10 CDCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H](O)CO ZINC001231878666 943036190 /nfs/dbraw/zinc/03/61/90/943036190.db2.gz OOZNBTGYDQSHQO-ZDUSSCGKSA-N 1 0 261.321 1.330 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC001231914865 943053542 /nfs/dbraw/zinc/05/35/42/943053542.db2.gz SVMGFKKSCBANOM-LBPRGKRZSA-N 1 0 299.754 1.810 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC(C3COC3)C2)cc1Cl ZINC001232259879 943191820 /nfs/dbraw/zinc/19/18/20/943191820.db2.gz MOQPUMYEYVEAOB-UHFFFAOYSA-N 1 0 269.728 1.829 20 10 CDCDRO CC1(C(N)=O)CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232267551 943197462 /nfs/dbraw/zinc/19/74/62/943197462.db2.gz JASHVTUEUURSKQ-UHFFFAOYSA-N 1 0 298.770 1.839 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC001232834908 943412528 /nfs/dbraw/zinc/41/25/28/943412528.db2.gz PPBVNCVJEDHVRZ-GFCCVEGCSA-N 1 0 264.369 1.663 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c(O)c1 ZINC001232840152 943415922 /nfs/dbraw/zinc/41/59/22/943415922.db2.gz NEUMREOPHDVVSU-CJNGLKHVSA-N 1 0 289.423 1.984 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)Cc2ccncn2)c(O)c1 ZINC001232842072 943417384 /nfs/dbraw/zinc/41/73/84/943417384.db2.gz YZLOQSKNHMAIOU-UHFFFAOYSA-N 1 0 272.352 1.880 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC3(COC3)C2)cc1O ZINC001233483359 943593061 /nfs/dbraw/zinc/59/30/61/943593061.db2.gz XBXQPBGBIKMXKC-UHFFFAOYSA-N 1 0 251.282 1.026 20 10 CDCDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486072 943593578 /nfs/dbraw/zinc/59/35/78/943593578.db2.gz XCKIMWLNVQUURS-GFCCVEGCSA-N 1 0 280.368 1.720 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(OC)c1 ZINC001235045758 944020599 /nfs/dbraw/zinc/02/05/99/944020599.db2.gz VZGMUDYNYFBZPG-QWHCGFSZSA-N 1 0 278.352 1.346 20 10 CDCDRO Oc1cc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235123022 944063454 /nfs/dbraw/zinc/06/34/54/944063454.db2.gz XCTYSMODQUEPKQ-HNNXBMFYSA-N 1 0 278.352 1.521 20 10 CDCDRO COC(=O)Cc1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235998298 944367597 /nfs/dbraw/zinc/36/75/97/944367597.db2.gz YCHZSCNTASTYKX-BBRMVZONSA-N 1 0 290.363 1.031 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(Cl)c1 ZINC001236797163 944571382 /nfs/dbraw/zinc/57/13/82/944571382.db2.gz CKAYFXHEXOYWTR-SDBXPKJASA-N 1 0 271.744 1.867 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001236807616 944575874 /nfs/dbraw/zinc/57/58/74/944575874.db2.gz GYFRPKVAJLQILV-JKSUJKDBSA-N 1 0 295.379 1.274 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCC(=O)C3)c(F)c2)CC1 ZINC001236940069 944620953 /nfs/dbraw/zinc/62/09/53/944620953.db2.gz WVUMUWZJXLDUFF-UHFFFAOYSA-N 1 0 291.370 1.352 20 10 CDCDRO CCC[NH+]1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237677677 944921643 /nfs/dbraw/zinc/92/16/43/944921643.db2.gz GXYBMJHNQCSBJG-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO CC[N@H+](Cc1cc(OC)cc(OC)c1O)C1CN(C)C1 ZINC001237681106 944923064 /nfs/dbraw/zinc/92/30/64/944923064.db2.gz OWDDUKSONINCCD-UHFFFAOYSA-N 1 0 280.368 1.545 20 10 CDCDRO COC[C@@H]1CN(Cc2cc(F)cc(C)c2O)CCO1 ZINC001238066063 945047113 /nfs/dbraw/zinc/04/71/13/945047113.db2.gz DTQFSOSIXWYEMA-ZDUSSCGKSA-N 1 0 269.316 1.687 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238068543 945049743 /nfs/dbraw/zinc/04/97/43/945049743.db2.gz ZNKGANAZMYHCGD-ZDUSSCGKSA-N 1 0 297.326 1.604 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)cc(C)c3O)C[C@@H]21 ZINC001238070763 945050195 /nfs/dbraw/zinc/05/01/95/945050195.db2.gz OZYXIBRHKNRCDB-ITGUQSILSA-N 1 0 279.311 1.691 20 10 CDCDRO COc1ccc(C[NH2+]CC2([S@](C)=O)CC2)c(O)c1OC ZINC001262370865 946618393 /nfs/dbraw/zinc/61/83/93/946618393.db2.gz SZYZNURJEPVMKX-FQEVSTJZSA-N 1 0 299.392 1.410 20 10 CDCDRO C[C@@H]1C[C@@H](NCC(=O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246290457 948082436 /nfs/dbraw/zinc/08/24/36/948082436.db2.gz MEEPGEWXCAIBGQ-KOLCDFICSA-N 1 0 264.325 1.011 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001249172453 949439651 /nfs/dbraw/zinc/43/96/51/949439651.db2.gz MTEOJDWBWCMPJK-GXTWGEPZSA-N 1 0 297.326 1.012 20 10 CDCDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249172318 949442600 /nfs/dbraw/zinc/44/26/00/949442600.db2.gz LEXMWSXDALOSPK-AWEZNQCLSA-N 1 0 293.363 1.719 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)c(O)c1 ZINC001249173628 949443066 /nfs/dbraw/zinc/44/30/66/949443066.db2.gz UROQYJAOXVFVSY-OAHLLOKOSA-N 1 0 297.326 1.014 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CN[C@H](C)c1ccccc1O ZINC001253208400 951805058 /nfs/dbraw/zinc/80/50/58/951805058.db2.gz PIBAGWGMDOJUQF-CHWSQXEVSA-N 1 0 266.385 1.746 20 10 CDCDRO CNC(=O)C1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324991261 953672672 /nfs/dbraw/zinc/67/26/72/953672672.db2.gz BUROLOMNNCJQAB-UHFFFAOYSA-N 1 0 273.380 1.465 20 10 CDCDRO C[NH+]1CCC(CC(=O)NCc2c(O)cccc2O)CC1 ZINC001304053998 956156241 /nfs/dbraw/zinc/15/62/41/956156241.db2.gz ZOKXISBWRIVPPT-UHFFFAOYSA-N 1 0 278.352 1.446 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)c(O)c1 ZINC001332449518 957569292 /nfs/dbraw/zinc/56/92/92/957569292.db2.gz GVRJWUQAQGCLGY-ZDUSSCGKSA-N 1 0 278.352 1.549 20 10 CDCDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC001323566171 960825705 /nfs/dbraw/zinc/82/57/05/960825705.db2.gz GGKWLQBEYMASSI-IBSXUBTNSA-N 1 0 290.363 1.567 20 10 CDCDRO C[N@H+]1CC=C(CNC(=O)NCc2ccc(N)cc2)CC1 ZINC001337019788 960856613 /nfs/dbraw/zinc/85/66/13/960856613.db2.gz VCLOWFGRBJJRQP-UHFFFAOYSA-N 1 0 274.368 1.330 20 10 CDCDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccc(N(C)C)cc1 ZINC001340021747 962692009 /nfs/dbraw/zinc/69/20/09/962692009.db2.gz ZGBGHQOTYBEJQQ-ZDUSSCGKSA-N 1 0 295.452 1.839 20 10 CDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N)cc1 ZINC001342023972 963613643 /nfs/dbraw/zinc/61/36/43/963613643.db2.gz YPIOPKYWDDEKEX-VXGBXAGGSA-N 1 0 261.369 1.758 20 10 CDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001346499823 965145190 /nfs/dbraw/zinc/14/51/90/965145190.db2.gz DOGIZAQTNHRBDH-VHSXEESVSA-N 1 0 250.346 1.194 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001347542620 965582326 /nfs/dbraw/zinc/58/23/26/965582326.db2.gz OVWPZPHGLBTUDU-LLVKDONJSA-N 1 0 278.352 1.587 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1COCCN1 ZINC001351678889 966974891 /nfs/dbraw/zinc/97/48/91/966974891.db2.gz HYPWVRQXQPSKBH-UPJWGTAASA-N 1 0 276.380 1.827 20 10 CDCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001528781208 968930371 /nfs/dbraw/zinc/93/03/71/968930371.db2.gz LHWJMJGHKPNZPM-CYBMUJFWSA-N 1 0 292.379 1.836 20 10 CDCDRO COc1ccc(C[NH2+]CCCn2ccnc2)c(O)c1OC ZINC001355237543 969095863 /nfs/dbraw/zinc/09/58/63/969095863.db2.gz HZJJFPHWAFLNRK-UHFFFAOYSA-N 1 0 291.351 1.786 20 10 CDCDRO C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(C(=O)[O-])ccc1O ZINC001593262564 994554838 /nfs/dbraw/zinc/55/48/38/994554838.db2.gz SURWCSURDBQFAG-SNVBAGLBSA-N 1 0 278.352 1.870 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](OC)C2CC2)c1 ZINC000293547326 362363371 /nfs/dbraw/zinc/36/33/71/362363371.db2.gz DOLZJKPHIJIXOW-AWEZNQCLSA-N 1 0 251.326 1.915 20 10 CDCDRO CCC[N@H+](CC(=O)N1CCC1)Cc1ccccc1O ZINC000068973664 349086532 /nfs/dbraw/zinc/08/65/32/349086532.db2.gz PNEVWZHBBGFZIP-UHFFFAOYSA-N 1 0 262.353 1.837 20 10 CDCDRO CC[C@@H]([NH2+]CC1(CO)COC1)c1ccc(N(C)C)cc1 ZINC000090643148 358485009 /nfs/dbraw/zinc/48/50/09/358485009.db2.gz LZMVVAWTPOEIMW-OAHLLOKOSA-N 1 0 278.396 1.802 20 10 CDCDRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801151 356537007 /nfs/dbraw/zinc/53/70/07/356537007.db2.gz GRALFOZJMNNENB-AWEZNQCLSA-N 1 0 263.385 1.694 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(C)(=O)=O)c1 ZINC000037740749 356922372 /nfs/dbraw/zinc/92/23/72/356922372.db2.gz QODOSBACWKCNGA-JTQLQIEISA-N 1 0 257.355 1.396 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179896626 357229625 /nfs/dbraw/zinc/22/96/25/357229625.db2.gz DLPAVMDOTKBKPB-SNVBAGLBSA-N 1 0 267.300 1.916 20 10 CDCDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)C1CC1 ZINC000179906827 357229654 /nfs/dbraw/zinc/22/96/54/357229654.db2.gz VPBILJBKQKXIAB-UHFFFAOYSA-N 1 0 274.364 1.883 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000180560533 357275327 /nfs/dbraw/zinc/27/53/27/357275327.db2.gz DFGKIVLVGIINMA-NSHDSACASA-N 1 0 278.352 1.488 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186811804 357694712 /nfs/dbraw/zinc/69/47/12/357694712.db2.gz FFDVKASIQJMROV-SECBINFHSA-N 1 0 254.305 1.660 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000188803142 357938838 /nfs/dbraw/zinc/93/88/38/357938838.db2.gz KBZISXDMIGMWOM-CMPLNLGQSA-N 1 0 251.326 1.651 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364211806 358087280 /nfs/dbraw/zinc/08/72/80/358087280.db2.gz IXBKCVKUNRCLCP-WMZOPIPTSA-N 1 0 299.418 1.903 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000192098308 358174512 /nfs/dbraw/zinc/17/45/12/358174512.db2.gz ZABZMIGZZFWCCD-CHWSQXEVSA-N 1 0 275.396 1.886 20 10 CDCDRO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)Cc1ccccc1O ZINC000111235121 359197214 /nfs/dbraw/zinc/19/72/14/359197214.db2.gz SBPRLYMDRINCNZ-LLVKDONJSA-N 1 0 286.335 1.641 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000113350568 359396043 /nfs/dbraw/zinc/39/60/43/359396043.db2.gz GDLNTAUBHWPOCT-SNVBAGLBSA-N 1 0 257.355 1.305 20 10 CDCDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297028370 200066115 /nfs/dbraw/zinc/06/61/15/200066115.db2.gz URAFBGSDKOSPEI-LBPRGKRZSA-N 1 0 295.404 1.794 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000271156378 364948833 /nfs/dbraw/zinc/94/88/33/364948833.db2.gz BQOGRIRMAADDLW-SWLSCSKDSA-N 1 0 276.380 1.975 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@]2(C)CCOC2)cc1OC ZINC000271802928 364999485 /nfs/dbraw/zinc/99/94/85/364999485.db2.gz JDRPCWCDUKYDGW-CQSZACIVSA-N 1 0 267.325 1.678 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC[C@@H](C)OC)cc1OC ZINC000271895508 365004239 /nfs/dbraw/zinc/00/42/39/365004239.db2.gz UAFPCPPVZYFXQX-SNVBAGLBSA-N 1 0 269.341 1.924 20 10 CDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000226396364 367368380 /nfs/dbraw/zinc/36/83/80/367368380.db2.gz HBIBXYQQPZYKSP-GFCCVEGCSA-N 1 0 263.385 1.658 20 10 CDCDRO CC[C@@H]([NH2+][C@H](CO)COC)c1ccc(C)cc1O ZINC000281230426 367610047 /nfs/dbraw/zinc/61/00/47/367610047.db2.gz URNAZVVVFJGFGT-DGCLKSJQSA-N 1 0 253.342 1.749 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(C)cc1O ZINC000530222522 368149896 /nfs/dbraw/zinc/14/98/96/368149896.db2.gz FZOPDYZHXIIFOK-GXTWGEPZSA-N 1 0 264.369 1.730 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)c(O)c1O ZINC000286911065 369022673 /nfs/dbraw/zinc/02/26/73/369022673.db2.gz HOYGNWUWRKBCBD-VIFPVBQESA-N 1 0 252.314 1.086 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)C(F)(F)F)CC2 ZINC000295778143 371396374 /nfs/dbraw/zinc/39/63/74/371396374.db2.gz ARMIHTQVEFOXOY-PSASIEDQSA-N 1 0 261.243 1.892 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295874857 371400705 /nfs/dbraw/zinc/40/07/05/371400705.db2.gz HFVONIMKGIZYBP-TZMCWYRMSA-N 1 0 276.380 1.690 20 10 CDCDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccccc1O ZINC000295892305 371401649 /nfs/dbraw/zinc/40/16/49/371401649.db2.gz HVOAKQNEIYASPK-LBPRGKRZSA-N 1 0 264.369 1.500 20 10 CDCDRO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296189299 371413526 /nfs/dbraw/zinc/41/35/26/371413526.db2.gz YKZMHUYHMBHEFV-AAEUAGOBSA-N 1 0 274.364 1.980 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000296064968 378714820 /nfs/dbraw/zinc/71/48/20/378714820.db2.gz WEYFTFIWBFTENH-RBSFLKMASA-N 1 0 264.369 1.553 20 10 CDCDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185468069 262305132 /nfs/dbraw/zinc/30/51/32/262305132.db2.gz PSTPIJNVSOWHDJ-HZMBPMFUSA-N 1 0 271.332 1.969 20 10 CDCDRO O=C1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)CCN1 ZINC000093101501 390899983 /nfs/dbraw/zinc/89/99/83/390899983.db2.gz LUBIAVHSTMXQPB-UHFFFAOYSA-N 1 0 287.407 1.999 20 10 CDCDRO COCC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)C(N)=O ZINC000093137971 390900564 /nfs/dbraw/zinc/90/05/64/390900564.db2.gz JFQJDKXEEHFEMZ-LBPRGKRZSA-N 1 0 280.368 1.331 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000133342338 390902399 /nfs/dbraw/zinc/90/23/99/390902399.db2.gz KQJDNUIPPXFHNH-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC)c(O)c1 ZINC000133611000 390903803 /nfs/dbraw/zinc/90/38/03/390903803.db2.gz AAKKBPGPOFNXDQ-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000093809204 390904276 /nfs/dbraw/zinc/90/42/76/390904276.db2.gz AHUAIMOBUWIAJV-LBPRGKRZSA-N 1 0 292.379 1.878 20 10 CDCDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000297002642 391063135 /nfs/dbraw/zinc/06/31/35/391063135.db2.gz SUPDBABVRGRJES-OLZOCXBDSA-N 1 0 274.364 1.978 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)c1O ZINC000175655607 391139177 /nfs/dbraw/zinc/13/91/77/391139177.db2.gz CZYGRJXTFLCPPB-ZDUSSCGKSA-N 1 0 296.342 1.724 20 10 CDCDRO CCOC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000177635221 391173081 /nfs/dbraw/zinc/17/30/81/391173081.db2.gz LFZJPWZIYUSGPK-NSHDSACASA-N 1 0 279.336 1.979 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCOC2=O)c1 ZINC000182321764 391233084 /nfs/dbraw/zinc/23/30/84/391233084.db2.gz BVMKQUQGTAFLCZ-NSHDSACASA-N 1 0 294.351 1.894 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C2(C(N)=O)CCCC2)cc1 ZINC000193452122 391338903 /nfs/dbraw/zinc/33/89/03/391338903.db2.gz NKDDAYXOTMHZBF-UHFFFAOYSA-N 1 0 275.396 1.983 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCCn1cccn1)OCO2 ZINC000134491366 393264585 /nfs/dbraw/zinc/26/45/85/393264585.db2.gz PHXUWNITODWBHK-UHFFFAOYSA-N 1 0 275.308 1.497 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662752144 413430827 /nfs/dbraw/zinc/43/08/27/413430827.db2.gz HSEHYNKCUGKROG-XYPYZODXSA-N 1 0 275.352 1.215 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2COCCO2)c1O ZINC000038060364 174070949 /nfs/dbraw/zinc/07/09/49/174070949.db2.gz FUSRDMSRHMCVSC-GFCCVEGCSA-N 1 0 267.325 1.296 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000038083084 174092598 /nfs/dbraw/zinc/09/25/98/174092598.db2.gz WBJCQHBRPRVNAX-RYUDHWBXSA-N 1 0 283.393 1.786 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000219923350 260072883 /nfs/dbraw/zinc/07/28/83/260072883.db2.gz PYVVNMCYZYWACT-GXSJLCMTSA-N 1 0 265.309 1.778 20 10 CDCDRO C[C@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000157311932 261144120 /nfs/dbraw/zinc/14/41/20/261144120.db2.gz OTJPBFAIXCMAKA-WCQYABFASA-N 1 0 278.352 1.247 20 10 CDCDRO c1[nH]nc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000363937793 262044391 /nfs/dbraw/zinc/04/43/91/262044391.db2.gz LSGMVZRFCKKWPQ-AWEZNQCLSA-N 1 0 269.348 1.992 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186203534 262084589 /nfs/dbraw/zinc/08/45/89/262084589.db2.gz ANBAXSPDMFCXHQ-MWLCHTKSSA-N 1 0 257.305 1.579 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186202659 262312268 /nfs/dbraw/zinc/31/22/68/262312268.db2.gz XCCADAVDHANGON-MNOVXSKESA-N 1 0 269.341 1.449 20 10 CDCDRO C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccccc1O ZINC000282476832 263076960 /nfs/dbraw/zinc/07/69/60/263076960.db2.gz GVNIAPQUNPFIRT-ZDUSSCGKSA-N 1 0 295.379 1.601 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000376859202 268025347 /nfs/dbraw/zinc/02/53/47/268025347.db2.gz YCNRNLDCXYWATP-GFCCVEGCSA-N 1 0 273.336 1.771 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1C ZINC000377188628 268054691 /nfs/dbraw/zinc/05/46/91/268054691.db2.gz AIVOUXUWKFPWDG-GFCCVEGCSA-N 1 0 262.353 1.706 20 10 CDCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC000377274165 268062881 /nfs/dbraw/zinc/06/28/81/268062881.db2.gz WMDXVXKXJLEZRS-ABAIWWIYSA-N 1 0 281.327 1.911 20 10 CDCDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1ccc(N)cc1 ZINC000236831075 280278600 /nfs/dbraw/zinc/27/86/00/280278600.db2.gz QNFLCXRYRTWQHZ-CQSZACIVSA-N 1 0 263.385 1.643 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000285363796 293185952 /nfs/dbraw/zinc/18/59/52/293185952.db2.gz VREGWIOTIDTWNN-NWDGAFQWSA-N 1 0 253.342 1.667 20 10 CDCDRO C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCCC[NH2+]1 ZINC000237503118 328007949 /nfs/dbraw/zinc/00/79/49/328007949.db2.gz IWLFJSSUCCAZQP-HNNXBMFYSA-N 1 0 261.369 1.460 20 10 CDCDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccccc1O ZINC000278700566 327184781 /nfs/dbraw/zinc/18/47/81/327184781.db2.gz HIVLFSLCHTXTNZ-CORIIIEPSA-N 1 0 265.353 1.973 20 10 CDCDRO O=C([C@@H]1CC[N@@H+](Cc2ccccc2O)C1)N1CCCC1 ZINC000377861499 329032208 /nfs/dbraw/zinc/03/22/08/329032208.db2.gz RRCCDQSRESOPFN-CQSZACIVSA-N 1 0 274.364 1.837 20 10 CDCDRO CC(C)C[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+](C)C ZINC000040831306 519348320 /nfs/dbraw/zinc/34/83/20/519348320.db2.gz AACPLLAFAKJHDQ-OAHLLOKOSA-N 1 0 277.412 1.904 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)COC)cc1F ZINC000279855635 520911731 /nfs/dbraw/zinc/91/17/31/520911731.db2.gz SDQPPQQDMZGQLP-CYBMUJFWSA-N 1 0 284.375 1.769 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280800735 522203092 /nfs/dbraw/zinc/20/30/92/522203092.db2.gz KTDLRPUWBYSDFY-RHSMWYFYSA-N 1 0 287.407 1.759 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000279377751 522361737 /nfs/dbraw/zinc/36/17/37/522361737.db2.gz IOVXOPOKPMTJDT-UKRRQHHQSA-N 1 0 281.352 1.684 20 10 CDCDRO COC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H]1CCCO1 ZINC000278726650 522750314 /nfs/dbraw/zinc/75/03/14/522750314.db2.gz UAZWACWRSIFOQN-QWHCGFSZSA-N 1 0 281.352 1.684 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000274812069 522923059 /nfs/dbraw/zinc/92/30/59/522923059.db2.gz YBACIZUZYCQUQB-KGLIPLIRSA-N 1 0 275.352 1.900 20 10 CDCDRO CON(C)C(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000291195695 523288271 /nfs/dbraw/zinc/28/82/71/523288271.db2.gz HASXQDGOGDYNPU-UHFFFAOYSA-N 1 0 278.352 1.624 20 10 CDCDRO COc1ccncc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000292784205 524856355 /nfs/dbraw/zinc/85/63/55/524856355.db2.gz ULKJKAGTKNUDLU-UHFFFAOYSA-N 1 0 288.303 1.814 20 10 CDCDRO C[S@@](=O)C1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000280758798 525359288 /nfs/dbraw/zinc/35/92/88/525359288.db2.gz YLUADTGILPJDID-QGZVFWFLSA-N 1 0 253.367 1.783 20 10 CDCDRO C[C@H]1CCN(CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000744450208 574446479 /nfs/dbraw/zinc/44/64/79/574446479.db2.gz OVHXWTZFQJXMPQ-NSHDSACASA-N 1 0 278.352 1.552 20 10 CDCDRO COc1c(O)c(CN2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774821746 575243995 /nfs/dbraw/zinc/24/39/95/575243995.db2.gz ZPUPOHPLGNUROJ-VIFPVBQESA-N 1 0 281.312 1.103 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC[NH+](C)C ZINC000773739719 575837057 /nfs/dbraw/zinc/83/70/57/575837057.db2.gz JCEUDPYNLPMZEZ-LBPRGKRZSA-N 1 0 294.395 1.877 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768447886 576284886 /nfs/dbraw/zinc/28/48/86/576284886.db2.gz QPHTZYHWGQFEPR-ZDUSSCGKSA-N 1 0 295.335 1.203 20 10 CDCDRO CCOc1ccc(C[N@H+](CCO)CCOC)c(O)c1 ZINC000769308878 576344472 /nfs/dbraw/zinc/34/44/72/576344472.db2.gz DCESBYCKNAEQLX-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccccc1O ZINC000748156468 576897837 /nfs/dbraw/zinc/89/78/37/576897837.db2.gz GBXIGLBISVTBSZ-CYBMUJFWSA-N 1 0 293.436 1.841 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNc2cnccn2)c1 ZINC000756647331 576998427 /nfs/dbraw/zinc/99/84/27/576998427.db2.gz SLZZHQTYMHINTK-NSHDSACASA-N 1 0 288.351 1.954 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCOC2)c2c1c(F)ccc2O ZINC000756769826 577003791 /nfs/dbraw/zinc/00/37/91/577003791.db2.gz NYYBHNQAKHRFCO-VPJDZLOFSA-N 1 0 281.327 1.821 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc(OC)c1O ZINC000757926468 577061438 /nfs/dbraw/zinc/06/14/38/577061438.db2.gz LUDWAFUVHBCUGM-OAHLLOKOSA-N 1 0 297.351 1.459 20 10 CDCDRO COc1cc(O)c(C[NH2+]C2COC(C)(C)OC2)cc1OC ZINC000758012063 577067208 /nfs/dbraw/zinc/06/72/08/577067208.db2.gz JZQVCMFCOPNTNI-UHFFFAOYSA-N 1 0 297.351 1.651 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891564951 617479900 /nfs/dbraw/zinc/47/99/00/617479900.db2.gz NOADHEBTGFAXST-JSGCOSHPSA-N 1 0 290.411 1.692 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1O ZINC000892546699 617494187 /nfs/dbraw/zinc/49/41/87/617494187.db2.gz JXUPZNMZJRNMJH-GARJFASQSA-N 1 0 263.341 1.490 20 10 CDCDRO C[C@H](CCC[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892138975 617501805 /nfs/dbraw/zinc/50/18/05/617501805.db2.gz IMDDCIMMGKXPAU-SNVBAGLBSA-N 1 0 263.341 1.545 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000892580983 617517783 /nfs/dbraw/zinc/51/77/83/617517783.db2.gz ANRZCMNHJUUUTF-HDJSIYSDSA-N 1 0 290.411 1.631 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[NH3+])c1 ZINC000841990323 620730686 /nfs/dbraw/zinc/73/06/86/620730686.db2.gz ZLWUEWULXQLPEI-IUCAKERBSA-N 1 0 267.329 1.108 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C)c(O)c1OC ZINC000893344052 617613021 /nfs/dbraw/zinc/61/30/21/617613021.db2.gz KNBKAZFKESOOPK-JTQLQIEISA-N 1 0 268.357 1.449 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654903 617620180 /nfs/dbraw/zinc/62/01/80/617620180.db2.gz QHSVVLIJQUOACH-GFCCVEGCSA-N 1 0 278.400 1.550 20 10 CDCDRO C[C@H](NC(=O)NCCOCCC[NH3+])c1ccccc1O ZINC000892291899 617704790 /nfs/dbraw/zinc/70/47/90/617704790.db2.gz QUYOTTUSCVURND-NSHDSACASA-N 1 0 281.356 1.118 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000840952542 617740952 /nfs/dbraw/zinc/74/09/52/617740952.db2.gz DRNDNBVYYJMHAX-INIZCTEOSA-N 1 0 275.396 1.819 20 10 CDCDRO CCOC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893711323 617919241 /nfs/dbraw/zinc/91/92/41/617919241.db2.gz MTTHYUMREGWORX-JTQLQIEISA-N 1 0 269.341 1.924 20 10 CDCDRO COC(=O)c1c(C[N@H+](C)CCO)c2cc(F)ccc2n1C ZINC000893871099 618112323 /nfs/dbraw/zinc/11/23/23/618112323.db2.gz KMSSFZLCVWFEDW-UHFFFAOYSA-N 1 0 294.326 1.528 20 10 CDCDRO CCOc1ccc(O)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843057903 618691943 /nfs/dbraw/zinc/69/19/43/618691943.db2.gz NVMDRHHQUABDDK-IAQYHMDHSA-N 1 0 280.368 1.339 20 10 CDCDRO C[NH2+]CCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000843057919 618692022 /nfs/dbraw/zinc/69/20/22/618692022.db2.gz YJYJCGRCQOBMHT-UHFFFAOYSA-N 1 0 263.385 1.174 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000894361591 618821451 /nfs/dbraw/zinc/82/14/51/618821451.db2.gz KDEYXAZYDQOVCG-SNVBAGLBSA-N 1 0 287.381 1.232 20 10 CDCDRO CN(CC[NH3+])C(=O)NCCCSc1nccs1 ZINC000841857587 618831153 /nfs/dbraw/zinc/83/11/53/618831153.db2.gz PKIIINNXNGXHJJ-UHFFFAOYSA-N 1 0 274.415 1.225 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894572681 618970310 /nfs/dbraw/zinc/97/03/10/618970310.db2.gz JOKZKRDWFFUUEL-UHFFFAOYSA-N 1 0 295.379 1.729 20 10 CDCDRO CN(Cc1ncc[nH]1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000894586766 618976798 /nfs/dbraw/zinc/97/67/98/618976798.db2.gz VJTHCBJWFSWTLQ-UHFFFAOYSA-N 1 0 299.422 1.794 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c(O)c1 ZINC000895329873 619574721 /nfs/dbraw/zinc/57/47/21/619574721.db2.gz KGJHJXTUHJSXBG-SWLSCSKDSA-N 1 0 281.352 1.109 20 10 CDCDRO COc1ccc(C[NH2+]Cc2ncc[nH]2)c(O)c1OC ZINC000895703743 619806191 /nfs/dbraw/zinc/80/61/91/619806191.db2.gz FLASIHDWFACNER-UHFFFAOYSA-N 1 0 263.297 1.422 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(O)c1 ZINC000896386322 620081590 /nfs/dbraw/zinc/08/15/90/620081590.db2.gz ZBRXGFDEXJYGBY-CYBMUJFWSA-N 1 0 293.363 1.986 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000896387561 620082004 /nfs/dbraw/zinc/08/20/04/620082004.db2.gz UAGYCRNPEOIMJY-NSHDSACASA-N 1 0 279.336 1.596 20 10 CDCDRO Cc1ccc(C[NH2+]CCO[C@@H]2CCOC2)c(O)c1 ZINC000897199505 620412398 /nfs/dbraw/zinc/41/23/98/620412398.db2.gz HURGKBYYTZPBKS-CYBMUJFWSA-N 1 0 251.326 1.596 20 10 CDCDRO COc1c([O-])c(C[NH2+]C[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841032722 621026137 /nfs/dbraw/zinc/02/61/37/621026137.db2.gz JOJSPRJGQUSHFA-JTQLQIEISA-N 1 0 295.339 1.398 20 10 CDCDRO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c1 ZINC000877574745 1166059691 /nfs/dbraw/zinc/05/96/91/1166059691.db2.gz UEYXDZXWEQTOBV-CQSZACIVSA-N 1 0 291.395 1.936 20 10 CDCDRO CN1CCOc2cc(CN3CC[C@H]4C[N@H+](C)C[C@H]43)ccc21 ZINC001275420299 1166671696 /nfs/dbraw/zinc/67/16/96/1166671696.db2.gz WGCRPBUZZRJDAJ-GOEBONIOSA-N 1 0 287.407 1.651 20 10 CDCDRO COc1cc(C)c(CN[C@H]2C[NH2+]CCC2(F)F)c(O)c1 ZINC001579144388 1172105403 /nfs/dbraw/zinc/10/54/03/1172105403.db2.gz DGLSUPXDBPESMY-ZDUSSCGKSA-N 1 0 286.322 1.796 20 10 CDCDRO COc1cccc(CNC(=O)[C@H]([NH3+])C(C)(C)C)c1O ZINC000083492628 1173471624 /nfs/dbraw/zinc/47/16/24/1173471624.db2.gz FGRNDXZSDIKNCV-LBPRGKRZSA-N 1 0 266.341 1.390 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CC[NH3+])c1 ZINC000841968086 711843593 /nfs/dbraw/zinc/84/35/93/711843593.db2.gz TWGWOCFIOXDXRR-NXEZZACHSA-N 1 0 281.356 1.498 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)c1O ZINC000846052557 711858765 /nfs/dbraw/zinc/85/87/65/711858765.db2.gz GDDDUFWIYBGSNE-CHWSQXEVSA-N 1 0 281.352 1.373 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000157130899 711862542 /nfs/dbraw/zinc/86/25/42/711862542.db2.gz XFQCMTVVIQBGTC-MRVPVSSYSA-N 1 0 254.717 1.353 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccccc1O ZINC000783521437 711862922 /nfs/dbraw/zinc/86/29/22/711862922.db2.gz XZWYSFLDZSYQTR-SNVBAGLBSA-N 1 0 271.320 1.737 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168337 711866484 /nfs/dbraw/zinc/86/64/84/711866484.db2.gz SOPKSBXHNJZQML-NXEZZACHSA-N 1 0 255.314 1.059 20 10 CDCDRO COCCNCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817964529 711872945 /nfs/dbraw/zinc/87/29/45/711872945.db2.gz DVXUNRRJAUCTSY-ZYHUDNBSSA-N 1 0 282.359 1.905 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c(O)c1 ZINC000842011324 711888930 /nfs/dbraw/zinc/88/89/30/711888930.db2.gz SKEPBEAHXHEDIS-ZYHUDNBSSA-N 1 0 293.367 1.327 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)C[NH3+])c1 ZINC000841961362 711891368 /nfs/dbraw/zinc/89/13/68/711891368.db2.gz AJDDOJYNNCFJJR-ZJUUUORDSA-N 1 0 281.356 1.356 20 10 CDCDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000841455167 711899797 /nfs/dbraw/zinc/89/97/97/711899797.db2.gz KGNOJJKSWVIQOS-GQCTYLIASA-N 1 0 276.336 1.321 20 10 CDCDRO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1c([O-])cccc1F ZINC000886493496 711947640 /nfs/dbraw/zinc/94/76/40/711947640.db2.gz NWVLWQHSPMEABV-ZDUSSCGKSA-N 1 0 295.402 1.819 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)C2CC2)cc1C ZINC000840965085 711950817 /nfs/dbraw/zinc/95/08/17/711950817.db2.gz XKAFQAXDTWZTNI-UHFFFAOYSA-N 1 0 283.393 1.676 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1O ZINC000866497477 711959123 /nfs/dbraw/zinc/95/91/23/711959123.db2.gz MQJWLDOQYLCCQI-MVWJERBFSA-N 1 0 267.325 1.201 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)[C@H](C)O ZINC000929753350 711993864 /nfs/dbraw/zinc/99/38/64/711993864.db2.gz NXBPINKQXZBPBB-SMDDNHRTSA-N 1 0 253.342 1.346 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccccc1O ZINC000838911908 711995186 /nfs/dbraw/zinc/99/51/86/711995186.db2.gz BSIAGQJKUAXLQK-YPMHNXCESA-N 1 0 262.353 1.959 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1O ZINC000843369897 712013352 /nfs/dbraw/zinc/01/33/52/712013352.db2.gz YGPWOAANNRQSDV-AOOOYVTPSA-N 1 0 280.343 1.916 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922298884 712044021 /nfs/dbraw/zinc/04/40/21/712044021.db2.gz YBPIMPSRQULIDK-NSHDSACASA-N 1 0 278.352 1.510 20 10 CDCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000877256310 712047300 /nfs/dbraw/zinc/04/73/00/712047300.db2.gz RWRAECOVKOGFTJ-ZETOZRRWSA-N 1 0 278.352 1.336 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c(O)c1C ZINC000840804318 712052888 /nfs/dbraw/zinc/05/28/88/712052888.db2.gz CUXHRDALANEPDQ-STQMWFEESA-N 1 0 290.367 1.312 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(C)cc2O)CCCOC1 ZINC000877404538 712062205 /nfs/dbraw/zinc/06/22/05/712062205.db2.gz DKDMZLNVGGZSTQ-MRXNPFEDSA-N 1 0 293.363 1.903 20 10 CDCDRO CO[C@]1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCOC1 ZINC000123188761 712069888 /nfs/dbraw/zinc/06/98/88/712069888.db2.gz GOKXDYXFVMDGFI-HZMBPMFUSA-N 1 0 269.316 1.987 20 10 CDCDRO Oc1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000220220219 712073084 /nfs/dbraw/zinc/07/30/84/712073084.db2.gz PPLJFYMCVZVDHQ-GHMZBOCLSA-N 1 0 297.196 1.806 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000841882515 712107162 /nfs/dbraw/zinc/10/71/62/712107162.db2.gz JSNUMIRXZHPDSJ-NWDGAFQWSA-N 1 0 278.400 1.708 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCCOCC1 ZINC000840948935 712111026 /nfs/dbraw/zinc/11/10/26/712111026.db2.gz MTBBPHHSMRGKAK-UHFFFAOYSA-N 1 0 291.439 1.873 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000846162623 712135314 /nfs/dbraw/zinc/13/53/14/712135314.db2.gz IOKMJZRLNBOJCM-RAALSFIWSA-N 1 0 271.382 1.818 20 10 CDCDRO COc1ccc(CNC(=[NH2+])NC(C)(C)C)c(O)c1 ZINC000849024841 712152546 /nfs/dbraw/zinc/15/25/46/712152546.db2.gz BTOHTDOHTBVHCP-UHFFFAOYSA-N 1 0 251.330 1.813 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCC[S@@](C)=O)cc1F ZINC000858140088 712182682 /nfs/dbraw/zinc/18/26/82/712182682.db2.gz ZNYGEQVWXXWGLM-LJQANCHMSA-N 1 0 290.379 1.889 20 10 CDCDRO Nc1ccc(CCNC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000856997837 712198210 /nfs/dbraw/zinc/19/82/10/712198210.db2.gz FLEXXHQOTMNAPO-CQSZACIVSA-N 1 0 275.396 1.707 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000819076735 712204066 /nfs/dbraw/zinc/20/40/66/712204066.db2.gz FDGALILYEQVLFH-QGZVFWFLSA-N 1 0 291.439 1.606 20 10 CDCDRO CN(C)c1cc(F)c(CN2C[C@H]3C[C@@]3(CO)C2)cc1F ZINC000862336592 712252844 /nfs/dbraw/zinc/25/28/44/712252844.db2.gz JCNWKBHYRXMXIT-ABAIWWIYSA-N 1 0 282.334 1.845 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COCCO2)cc1Cl ZINC000825126692 712256523 /nfs/dbraw/zinc/25/65/23/712256523.db2.gz RZRLFEWYBCIZJB-NSHDSACASA-N 1 0 271.744 1.859 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000877533348 712259070 /nfs/dbraw/zinc/25/90/70/712259070.db2.gz NABVLIPZESCOIR-GHMZBOCLSA-N 1 0 278.352 1.720 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C)cc1O ZINC000877561268 712274673 /nfs/dbraw/zinc/27/46/73/712274673.db2.gz DIWZMZNHBRCFNF-GFCCVEGCSA-N 1 0 286.397 1.118 20 10 CDCDRO O=C1[C@@H]([NH2+]Cc2ccccc2O)C[C@@H]2CCCCN12 ZINC000835075700 712342506 /nfs/dbraw/zinc/34/25/06/712342506.db2.gz ZOUIASPWPMMKFI-STQMWFEESA-N 1 0 260.337 1.635 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000793363689 712345227 /nfs/dbraw/zinc/34/52/27/712345227.db2.gz VELOZZLILZEFFW-BLLLJJGKSA-N 1 0 293.363 1.781 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841656091 712373183 /nfs/dbraw/zinc/37/31/83/712373183.db2.gz VYLVGOKHQPSLRC-LLVKDONJSA-N 1 0 264.373 1.289 20 10 CDCDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000187150117 712395187 /nfs/dbraw/zinc/39/51/87/712395187.db2.gz FUYBCYUJOGXPLJ-NSHDSACASA-N 1 0 278.352 1.654 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCO1 ZINC000799163878 712395482 /nfs/dbraw/zinc/39/54/82/712395482.db2.gz OAMDSFCUXKIHLJ-IUODEOHRSA-N 1 0 293.363 1.819 20 10 CDCDRO O=C(NCc1ccccc1O)[C@H]1CC12CC[NH2+]CC2 ZINC000228422914 712399905 /nfs/dbraw/zinc/39/99/05/712399905.db2.gz ZRDSOEQFFPFDDI-GFCCVEGCSA-N 1 0 260.337 1.398 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1OC ZINC000843120502 712419482 /nfs/dbraw/zinc/41/94/82/712419482.db2.gz NUOMIPIUVMMDON-MWLCHTKSSA-N 1 0 266.341 1.188 20 10 CDCDRO NC[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000841027436 712426073 /nfs/dbraw/zinc/42/60/73/712426073.db2.gz BAWPSASUZCKWBH-NSHDSACASA-N 1 0 285.185 1.982 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CC(F)(F)C2)cc1 ZINC000832265830 712444001 /nfs/dbraw/zinc/44/40/01/712444001.db2.gz AAPXDQYYTKISQF-ZDUSSCGKSA-N 1 0 297.349 1.914 20 10 CDCDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854229931 712445774 /nfs/dbraw/zinc/44/57/74/712445774.db2.gz APYFEZMBFZHFTF-IRXDYDNUSA-N 1 0 289.423 1.617 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])C3CCC3)ccc21 ZINC000827913751 712451468 /nfs/dbraw/zinc/45/14/68/712451468.db2.gz KQJFJFZKBQDMJU-INIZCTEOSA-N 1 0 287.407 1.813 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000841026447 712457862 /nfs/dbraw/zinc/45/78/62/712457862.db2.gz CDJKCPOSRFRSMF-DOMZBBRYSA-N 1 0 263.360 1.685 20 10 CDCDRO CCN(CC[NH3+])Cc1cc(F)cc(C(C)=O)c1O ZINC000863551433 712500398 /nfs/dbraw/zinc/50/03/98/712500398.db2.gz MIBVVPDBWDTPIF-UHFFFAOYSA-N 1 0 254.305 1.515 20 10 CDCDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccc(O)cc1O ZINC000822971620 712525832 /nfs/dbraw/zinc/52/58/32/712525832.db2.gz GOLFYNGRWZQNML-UHFFFAOYSA-N 1 0 266.341 1.492 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000840935704 712699702 /nfs/dbraw/zinc/69/97/02/712699702.db2.gz AURSFZHLUFJUCW-OAHLLOKOSA-N 1 0 296.436 1.728 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1ccccc1O ZINC000879648673 712719567 /nfs/dbraw/zinc/71/95/67/712719567.db2.gz YVHOJHOTWAZPDD-LLVKDONJSA-N 1 0 262.353 1.959 20 10 CDCDRO COc1ccc(CNC(=O)CCc2c[nH]cn2)c(O)c1 ZINC000794373281 712719591 /nfs/dbraw/zinc/71/95/91/712719591.db2.gz IXTZYJGTBPCQDP-UHFFFAOYSA-N 1 0 275.308 1.373 20 10 CDCDRO Cc1cccc(O)c1C[N@H+](C)CCN1CCOCC1 ZINC000876680167 712720563 /nfs/dbraw/zinc/72/05/63/712720563.db2.gz AMUUISNBFHCUMZ-UHFFFAOYSA-N 1 0 264.369 1.465 20 10 CDCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000228074672 712731078 /nfs/dbraw/zinc/73/10/78/712731078.db2.gz SZSVZMRHIWMYET-RKDXNWHRSA-N 1 0 253.298 1.370 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC2(CO)COC2)cc1Cl ZINC000825371568 712751053 /nfs/dbraw/zinc/75/10/53/712751053.db2.gz YXBXHGMTTLIERN-UHFFFAOYSA-N 1 0 271.744 1.453 20 10 CDCDRO C[NH2+]CCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000866697219 1164809675 /nfs/dbraw/zinc/80/96/75/1164809675.db2.gz JINPWERNDJUFEV-UHFFFAOYSA-N 1 0 293.411 1.435 20 10 CDCDRO C[NH2+]CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001573895215 1167624591 /nfs/dbraw/zinc/62/45/91/1167624591.db2.gz GHDZJZVBUUPDCJ-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000174401785 912574967 /nfs/dbraw/zinc/57/49/67/912574967.db2.gz GRILUJUDZPNLAL-HNNXBMFYSA-N 1 0 267.369 1.886 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2=NOCC2)c1 ZINC001307629400 912645798 /nfs/dbraw/zinc/64/57/98/912645798.db2.gz RFJKZCPFWRYKQE-VIFPVBQESA-N 1 0 250.298 1.828 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(C)O ZINC001233010307 912670655 /nfs/dbraw/zinc/67/06/55/912670655.db2.gz OHDBTBJYVYTUKR-LKFCYVNXSA-N 1 0 267.325 1.396 20 10 CDCDRO COc1ccc(N2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC001208129622 894054726 /nfs/dbraw/zinc/05/47/26/894054726.db2.gz FOLZPQHRMOCAIK-UHFFFAOYSA-N 1 0 277.412 1.687 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Cl)ccc1O ZINC000834895992 895984466 /nfs/dbraw/zinc/98/44/66/895984466.db2.gz GPLTYXMDERFQPJ-DMDPSCGWSA-N 1 0 271.744 1.846 20 10 CDCDRO CN(c1ccc2c(c1)CC(=O)N2)c1cc(N)cc[nH+]1 ZINC001176429393 914099131 /nfs/dbraw/zinc/09/91/31/914099131.db2.gz WVNJKGNVJJDVAK-UHFFFAOYSA-N 1 0 254.293 1.926 20 10 CDCDRO C[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccccc1O ZINC000091619348 897274762 /nfs/dbraw/zinc/27/47/62/897274762.db2.gz PDOHCJINIXFJOC-UHFFFAOYSA-N 1 0 290.285 1.893 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000382544463 898674396 /nfs/dbraw/zinc/67/43/96/898674396.db2.gz CJACSTMKOQSRBE-IINYFYTJSA-N 1 0 269.341 1.449 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000179028809 899404440 /nfs/dbraw/zinc/40/44/40/899404440.db2.gz DIWKZVOKZMTEGX-GFCCVEGCSA-N 1 0 257.717 1.287 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+]Cc1cc(F)ccc1O ZINC000692815566 900293387 /nfs/dbraw/zinc/29/33/87/900293387.db2.gz XTTHUOKKRATLKZ-UHFFFAOYSA-N 1 0 275.345 1.446 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992045 914502688 /nfs/dbraw/zinc/50/26/88/914502688.db2.gz PZBUQJRBDMVYHO-IUODEOHRSA-N 1 0 261.369 1.381 20 10 CDCDRO [NH3+]Cc1cccc(NCCc2cc(O)c(O)cc2O)c1 ZINC001168010087 905438168 /nfs/dbraw/zinc/43/81/68/905438168.db2.gz QKNOWYQAOSSFML-UHFFFAOYSA-N 1 0 274.320 1.917 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(O)c(O)c1 ZINC001271833855 906877182 /nfs/dbraw/zinc/87/71/82/906877182.db2.gz JCAYQAATNBGOPI-STQMWFEESA-N 1 0 290.363 1.335 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000037157906 910111294 /nfs/dbraw/zinc/11/12/94/910111294.db2.gz AAYJTSLNUSFYSL-LLVKDONJSA-N 1 0 261.325 1.776 20 10 CDCDRO O=C1C[C@@H]([NH2+]Cc2cccc(O)c2O)CCN1C1CC1 ZINC001172009801 911093625 /nfs/dbraw/zinc/09/36/25/911093625.db2.gz RQZRCULAUIWDJA-NSHDSACASA-N 1 0 276.336 1.341 20 10 CDCDRO COc1cc(CN2CCCC[C@@](F)(C[NH3+])C2)cc(O)c1O ZINC001206344018 915561607 /nfs/dbraw/zinc/56/16/07/915561607.db2.gz LKHKBBNZCXTORH-OAHLLOKOSA-N 1 0 298.358 1.759 20 10 CDCDRO Cc1ccc(C)c(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1O ZINC001206425183 916536342 /nfs/dbraw/zinc/53/63/42/916536342.db2.gz UZXALHBURWAJPJ-VXGBXAGGSA-N 1 0 252.333 1.880 20 10 CDCDRO C[NH2+]CCC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000828353417 936372681 /nfs/dbraw/zinc/37/26/81/936372681.db2.gz OHBQOUZICVIROD-UHFFFAOYSA-N 1 0 291.395 1.390 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000069912313 916960349 /nfs/dbraw/zinc/96/03/49/916960349.db2.gz RYBWXIZBOHMUQK-CQSZACIVSA-N 1 0 252.358 1.240 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000828993885 936398331 /nfs/dbraw/zinc/39/83/31/936398331.db2.gz UDBXNYCDXAUOJZ-HNNXBMFYSA-N 1 0 273.380 1.412 20 10 CDCDRO CC[NH+]1C[C@H]2CN(Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137841687 936420399 /nfs/dbraw/zinc/42/03/99/936420399.db2.gz PYZFHWKOQPSBJV-RYUDHWBXSA-N 1 0 264.344 1.915 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000829764412 936431082 /nfs/dbraw/zinc/43/10/82/936431082.db2.gz KMSDNGVFFXRDOH-AWEZNQCLSA-N 1 0 291.395 1.056 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccncc2)cc1 ZINC000832285216 936571967 /nfs/dbraw/zinc/57/19/67/936571967.db2.gz PUIWOGRFLBNGOG-HNNXBMFYSA-N 1 0 284.363 1.577 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000827500627 936596563 /nfs/dbraw/zinc/59/65/63/936596563.db2.gz FVMDEWBSBYFPQF-JGZJWPJOSA-N 1 0 295.335 1.451 20 10 CDCDRO COc1cc(CN2CC(F)(F)C2)cc(C[NH+](C)C)c1O ZINC001139253375 936611764 /nfs/dbraw/zinc/61/17/64/936611764.db2.gz SUIKOSQTEJGEQZ-UHFFFAOYSA-N 1 0 286.322 1.913 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN3CC(C)(O)C3)cc2)CC1 ZINC001140299585 936699247 /nfs/dbraw/zinc/69/92/47/936699247.db2.gz AWZVMZZQFYWCKM-UHFFFAOYSA-N 1 0 289.423 1.395 20 10 CDCDRO COc1cccc(C[NH2+]CC2(N(C)C)CC2)c1O ZINC000397954798 936709015 /nfs/dbraw/zinc/70/90/15/936709015.db2.gz DNXLOLSVVJEKGH-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(N(C)C)CC2)c1 ZINC000397969870 936709026 /nfs/dbraw/zinc/70/90/26/936709026.db2.gz MIDFPBXUQGQLGB-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO Cc1c(O)ccc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC001140741753 936748165 /nfs/dbraw/zinc/74/81/65/936748165.db2.gz BLXHUZLMFKRUKQ-LBPRGKRZSA-N 1 0 250.342 1.542 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+](C)Cc2cnn(C)c2)c1O ZINC001140742687 936748600 /nfs/dbraw/zinc/74/86/00/936748600.db2.gz VIICYTGTECXTSU-UHFFFAOYSA-N 1 0 261.325 1.772 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141031468 936795290 /nfs/dbraw/zinc/79/52/90/936795290.db2.gz GCZBWBHEVVVAHZ-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(OC)c1 ZINC001141028965 936794254 /nfs/dbraw/zinc/79/42/54/936794254.db2.gz FTIAQOYOXNPTPE-GHMZBOCLSA-N 1 0 281.352 1.755 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141028521 936794380 /nfs/dbraw/zinc/79/43/80/936794380.db2.gz RXWDFZCTFULBJI-UHFFFAOYSA-N 1 0 297.351 1.794 20 10 CDCDRO COC(=O)CC[N@H+](Cc1cc(O)ccc1O)C1CC1 ZINC001141161853 936823238 /nfs/dbraw/zinc/82/32/38/936823238.db2.gz GILQVMFRPSITHX-UHFFFAOYSA-N 1 0 265.309 1.625 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]([NH3+])C2CCCCC2)cc1 ZINC001118256586 924050356 /nfs/dbraw/zinc/05/03/56/924050356.db2.gz YCRBPGKPNBRINH-OAHLLOKOSA-N 1 0 275.396 1.835 20 10 CDCDRO CC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(C)cc1O ZINC000840802355 936961837 /nfs/dbraw/zinc/96/18/37/936961837.db2.gz IBZQLQGRAWXZJK-JSGCOSHPSA-N 1 0 290.367 1.394 20 10 CDCDRO Oc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1O ZINC001203879769 925159471 /nfs/dbraw/zinc/15/94/71/925159471.db2.gz ZUAKUBWTQSMEAA-CQSZACIVSA-N 1 0 292.379 1.394 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841760611 937013751 /nfs/dbraw/zinc/01/37/51/937013751.db2.gz KVBOONDKKNRPGM-JTQLQIEISA-N 1 0 282.363 1.428 20 10 CDCDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000841929221 937023320 /nfs/dbraw/zinc/02/33/20/937023320.db2.gz UYQPAEWMBSVCRK-OLZOCXBDSA-N 1 0 291.395 1.922 20 10 CDCDRO C[C@@H]1CCN(Cc2cc(F)c(F)cc2O)C[C@@H]1[NH3+] ZINC001205872523 925859702 /nfs/dbraw/zinc/85/97/02/925859702.db2.gz NNSXSMKRZUIXIW-PELKAZGASA-N 1 0 256.296 1.840 20 10 CDCDRO O=C(CC[NH+]1CCCCC1)NCc1ccccc1O ZINC001142922944 937093675 /nfs/dbraw/zinc/09/36/75/937093675.db2.gz CCOLBRUJMZOIEX-UHFFFAOYSA-N 1 0 262.353 1.884 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000843056671 937108222 /nfs/dbraw/zinc/10/82/22/937108222.db2.gz UZAPJJGTDVSXGY-XJKSGUPXSA-N 1 0 277.412 1.609 20 10 CDCDRO Cc1cc(O)c(CN2CCN(C)C[C@H]2C[NH3+])cc1C ZINC000843120897 937113975 /nfs/dbraw/zinc/11/39/75/937113975.db2.gz XMBGNFXCLJOJRL-CQSZACIVSA-N 1 0 263.385 1.084 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850389886 927427316 /nfs/dbraw/zinc/42/73/16/927427316.db2.gz KJXHJPMNKHXECV-UHFFFAOYSA-N 1 0 283.347 1.680 20 10 CDCDRO C[NH+](C)CC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000854725067 928271649 /nfs/dbraw/zinc/27/16/49/928271649.db2.gz YMLICWPONJCYAF-GQCTYLIASA-N 1 0 276.336 1.131 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858143839 928811313 /nfs/dbraw/zinc/81/13/13/928811313.db2.gz YEUYDQGHBRGVQF-LLVKDONJSA-N 1 0 288.338 1.518 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000691464455 928957716 /nfs/dbraw/zinc/95/77/16/928957716.db2.gz RDCBAULTARHEOE-JTQLQIEISA-N 1 0 290.157 1.252 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000862539382 929423427 /nfs/dbraw/zinc/42/34/27/929423427.db2.gz NQGTYGVNLWWZGO-QMMMGPOBSA-N 1 0 256.277 1.029 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(OC)c(OC)cc1O ZINC000816660573 930331565 /nfs/dbraw/zinc/33/15/65/930331565.db2.gz IZMQRKBFTLILKS-CYBMUJFWSA-N 1 0 294.395 1.935 20 10 CDCDRO CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817935606 930634801 /nfs/dbraw/zinc/63/48/01/930634801.db2.gz KARMZMTVZNHZAU-HNNXBMFYSA-N 1 0 295.402 1.867 20 10 CDCDRO [NH3+][C@@H](C(=O)NCCCSc1nccs1)C1CCC1 ZINC000817939757 930638424 /nfs/dbraw/zinc/63/84/24/930638424.db2.gz BSBCNNLYNITEGY-SNVBAGLBSA-N 1 0 285.438 1.869 20 10 CDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c1O ZINC000817983005 930658045 /nfs/dbraw/zinc/65/80/45/930658045.db2.gz JKZUBDMPVPUDCP-PWSUYJOCSA-N 1 0 284.787 1.993 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)c1 ZINC000135727195 930671253 /nfs/dbraw/zinc/67/12/53/930671253.db2.gz LLBYJTYLUMPRMZ-ZJUUUORDSA-N 1 0 278.352 1.719 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886328493 930862639 /nfs/dbraw/zinc/86/26/39/930862639.db2.gz KTXPBVFQWNLPNA-GASCZTMLSA-N 1 0 287.407 1.663 20 10 CDCDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]12 ZINC000824896978 931484915 /nfs/dbraw/zinc/48/49/15/931484915.db2.gz IXMCIKXLWOXNQR-OKILXGFUSA-N 1 0 296.326 1.250 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)CC1=O ZINC000824887039 931485671 /nfs/dbraw/zinc/48/56/71/931485671.db2.gz OWXDASCVAYTKGS-NSHDSACASA-N 1 0 294.351 1.120 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000843487869 931495069 /nfs/dbraw/zinc/49/50/69/931495069.db2.gz KXPPQCXJHVHWSL-MRXNPFEDSA-N 1 0 293.386 1.803 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1Cl ZINC000825505457 931507006 /nfs/dbraw/zinc/50/70/06/931507006.db2.gz ZFOCIBGPBUDVSR-CYBMUJFWSA-N 1 0 296.798 1.870 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)ccc21 ZINC000844177643 931553566 /nfs/dbraw/zinc/55/35/66/931553566.db2.gz OTVUNPCDVIZNOV-KFWWJZLASA-N 1 0 285.391 1.436 20 10 CDCDRO Cc1cc(CN2CC3(CC[N@@H+]3C)C2)ccc1N(C)C ZINC001275361132 931749076 /nfs/dbraw/zinc/74/90/76/931749076.db2.gz OFUURURZBGSCMX-UHFFFAOYSA-N 1 0 259.397 1.951 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514589 931877584 /nfs/dbraw/zinc/87/75/84/931877584.db2.gz LIOWPNWOJWCWJB-VHSXEESVSA-N 1 0 295.335 1.434 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCc3occc3C2)c(O)c1 ZINC001144515074 931878776 /nfs/dbraw/zinc/87/87/76/931878776.db2.gz DOULSBIJQPTNKC-UHFFFAOYSA-N 1 0 261.277 1.955 20 10 CDCDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)cc(O)cc1O ZINC001144515433 931878958 /nfs/dbraw/zinc/87/89/58/931878958.db2.gz OOELVQNNGGIADW-DHHPTOIESA-N 1 0 279.336 1.945 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)CCO)c1O ZINC000846111972 931975066 /nfs/dbraw/zinc/97/50/66/931975066.db2.gz SPUURJHEWWTMTA-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2(CO)CCOCC2)c1O ZINC000846157178 931982532 /nfs/dbraw/zinc/98/25/32/931982532.db2.gz ROOWLWUPBIRJIR-LBPRGKRZSA-N 1 0 295.379 1.841 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C2CCOCC2)c1O ZINC000846162998 931983323 /nfs/dbraw/zinc/98/33/23/931983323.db2.gz KARWPGFXNLXRIR-SMDDNHRTSA-N 1 0 295.379 1.839 20 10 CDCDRO [NH3+]CCN(C(=O)c1cccc(O)c1O)c1cccnc1 ZINC001148219979 932671998 /nfs/dbraw/zinc/67/19/98/932671998.db2.gz IXDYVXLTOLZCCJ-UHFFFAOYSA-N 1 0 273.292 1.098 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000128859117 932740477 /nfs/dbraw/zinc/74/04/77/932740477.db2.gz OFNRAKGYBGJDNA-TZMCWYRMSA-N 1 0 259.353 1.369 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CSC)c1 ZINC000188224523 934430017 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CN(C)c1ccc(CN2CCOC[C@H]2C[NH+](C)C)cc1 ZINC001203937669 939715399 /nfs/dbraw/zinc/71/53/99/939715399.db2.gz KIMRUGFSJORLSB-MRXNPFEDSA-N 1 0 277.412 1.515 20 10 CDCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(O)cc3O)C[C@@H]2C1 ZINC001204274150 939750520 /nfs/dbraw/zinc/75/05/20/939750520.db2.gz KAYKDTYKWBYPRW-XJKSGUPXSA-N 1 0 292.379 1.250 20 10 CDCDRO Nc1ccc(CN2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205788574 939936607 /nfs/dbraw/zinc/93/66/07/939936607.db2.gz PFZNDHVCPFKBNV-LLVKDONJSA-N 1 0 255.312 1.685 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(F)c(F)cc2O)CC[C@H]1F ZINC001206182627 939993523 /nfs/dbraw/zinc/99/35/23/939993523.db2.gz CKQGAECQPUXIJK-BXKDBHETSA-N 1 0 274.286 1.932 20 10 CDCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2ccc(O)cc2O)C1 ZINC001206342729 940022455 /nfs/dbraw/zinc/02/24/55/940022455.db2.gz ATAHYCQHCWOKKE-AWEZNQCLSA-N 1 0 268.332 1.751 20 10 CDCDRO Cc1c(O)ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c1O ZINC001206423457 940036427 /nfs/dbraw/zinc/03/64/27/940036427.db2.gz KJCJBMBMZIVGJS-WDEREUQCSA-N 1 0 254.305 1.277 20 10 CDCDRO Cc1cc(Cl)cc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206491095 940049042 /nfs/dbraw/zinc/04/90/42/940049042.db2.gz GTNVMCHSKNECND-CMPLNLGQSA-N 1 0 270.760 1.105 20 10 CDCDRO OCC[NH+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001329521540 940190694 /nfs/dbraw/zinc/19/06/94/940190694.db2.gz JSEJYUYSTAUFME-UHFFFAOYSA-N 1 0 264.369 1.073 20 10 CDCDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001219644611 941368585 /nfs/dbraw/zinc/36/85/85/941368585.db2.gz CYPIANCKMYDFAZ-DGCLKSJQSA-N 1 0 292.379 1.392 20 10 CDCDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC001219659337 941373380 /nfs/dbraw/zinc/37/33/80/941373380.db2.gz WDZBYOZLUPTUFH-ZJUUUORDSA-N 1 0 264.325 1.073 20 10 CDCDRO N[C@@H](C[NH3+])c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC001219923501 941396954 /nfs/dbraw/zinc/39/69/54/941396954.db2.gz PENWAUADEYBQIV-AWEZNQCLSA-N 1 0 285.347 1.281 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC001220503577 941451182 /nfs/dbraw/zinc/45/11/82/941451182.db2.gz FFMRBNJVYDWLKJ-HNNXBMFYSA-N 1 0 269.348 1.628 20 10 CDCDRO COc1cc(CN2CCC[C@@]23CCC[NH2+]C3)cc(O)c1O ZINC001222237381 941577506 /nfs/dbraw/zinc/57/75/06/941577506.db2.gz HJOZFJGDFXOYAS-MRXNPFEDSA-N 1 0 292.379 1.824 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)cc1 ZINC001276958007 941730577 /nfs/dbraw/zinc/73/05/77/941730577.db2.gz BPWBZTWHQYXLGF-UHFFFAOYSA-N 1 0 259.353 1.250 20 10 CDCDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226469745 942011663 /nfs/dbraw/zinc/01/16/63/942011663.db2.gz WRTFIDCVPJOOAS-ZKCHVHJHSA-N 1 0 299.323 1.466 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(c3cncnc3)CC2)c1O ZINC001231593901 942938405 /nfs/dbraw/zinc/93/84/05/942938405.db2.gz NTWPSBIJXSTPRC-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(O)cc1O ZINC001231636626 942951369 /nfs/dbraw/zinc/95/13/69/942951369.db2.gz SCGNCMYTMCWWQP-CYBMUJFWSA-N 1 0 292.379 1.777 20 10 CDCDRO COc1cc(C[N@@H+]2CCOC[C@@H]2C(C)C)c(O)cc1O ZINC001231636871 942951391 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ZINC001232835238 943414731 /nfs/dbraw/zinc/41/47/31/943414731.db2.gz ZZSRPLRGYGTCQV-UHFFFAOYSA-N 1 0 262.353 1.681 20 10 CDCDRO CC[N@H+](CCCC(=O)OC)Cc1cc(O)c(O)c(O)c1 ZINC001233010090 943460440 /nfs/dbraw/zinc/46/04/40/943460440.db2.gz KXKBVHYIPVIPNA-UHFFFAOYSA-N 1 0 283.324 1.579 20 10 CDCDRO Oc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc(O)c1O ZINC001233014529 943463683 /nfs/dbraw/zinc/46/36/83/943463683.db2.gz UQJNVBPEPOUSMI-HNNXBMFYSA-N 1 0 279.336 1.806 20 10 CDCDRO Oc1cc(CN2CCc3nccn3CC2)cc(O)c1O ZINC001233016811 943464629 /nfs/dbraw/zinc/46/46/29/943464629.db2.gz PEYSQVGGGOHDAO-UHFFFAOYSA-N 1 0 275.308 1.058 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC001233284226 943531356 /nfs/dbraw/zinc/53/13/56/943531356.db2.gz MQFCEARVQAOAJW-LRDDRELGSA-N 1 0 293.407 1.865 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1O ZINC001233482410 943590430 /nfs/dbraw/zinc/59/04/30/943590430.db2.gz MQDBGEPOWJYDKO-MEBBXXQBSA-N 1 0 279.336 1.804 20 10 CDCDRO CCO[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485250 943591860 /nfs/dbraw/zinc/59/18/60/943591860.db2.gz OEBPXDKVFBDQRQ-NSHDSACASA-N 1 0 267.325 1.804 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)cc1O ZINC001233483189 943592152 /nfs/dbraw/zinc/59/21/52/943592152.db2.gz QKQAZOXWKFUANJ-NOZJJQNGSA-N 1 0 251.282 1.167 20 10 CDCDRO CCO[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486792 943595459 /nfs/dbraw/zinc/59/54/59/943595459.db2.gz CCDUDEAYUUQYEF-SNVBAGLBSA-N 1 0 253.298 1.414 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c(Cl)c1 ZINC001235413798 944149247 /nfs/dbraw/zinc/14/92/47/944149247.db2.gz IFGNQZXOJTZKAC-AAEUAGOBSA-N 1 0 265.788 1.952 20 10 CDCDRO C[N@H+](CCO)Cc1cc(O)c(Br)cc1O ZINC001236255122 944439361 /nfs/dbraw/zinc/43/93/61/944439361.db2.gz AKWFKLFVRHIGSX-UHFFFAOYSA-N 1 0 276.130 1.284 20 10 CDCDRO COc1ccc2ccc(O)c(CN3C[C@@H]4C[NH2+]C[C@@H]43)c2c1 ZINC001236292230 944451274 /nfs/dbraw/zinc/45/12/74/944451274.db2.gz MYNZHEAPIZGRGZ-LRDDRELGSA-N 1 0 284.359 1.958 20 10 CDCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H]1[NH3+] ZINC001236358087 944483259 /nfs/dbraw/zinc/48/32/59/944483259.db2.gz TYRKKJLNZONAIP-VXGBXAGGSA-N 1 0 298.770 1.286 20 10 CDCDRO COc1ccc(N2CCN(C[C@@H](C)[NH3+])CC2)c(OC)c1 ZINC001236410752 944491771 /nfs/dbraw/zinc/49/17/71/944491771.db2.gz KNFGHBMYDYGMPW-GFCCVEGCSA-N 1 0 279.384 1.173 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCCO[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236788456 944568899 /nfs/dbraw/zinc/56/88/99/944568899.db2.gz NOVGKRANIOTHIM-OAHLLOKOSA-N 1 0 293.363 1.719 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001237037873 944643525 /nfs/dbraw/zinc/64/35/25/944643525.db2.gz AAMHTLPTFVVQJH-TZMCWYRMSA-N 1 0 269.316 1.696 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(C2COC2)CC1 ZINC001237483916 944809677 /nfs/dbraw/zinc/80/96/77/944809677.db2.gz VISLCAWUZHLPMB-UHFFFAOYSA-N 1 0 262.353 1.217 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC(N2CCOC(C)(C)C2)C1 ZINC001237487083 944813850 /nfs/dbraw/zinc/81/38/50/944813850.db2.gz GQKYAHRRQXTWRC-UHFFFAOYSA-N 1 0 290.407 1.996 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001237488471 944815249 /nfs/dbraw/zinc/81/52/49/944815249.db2.gz YPJBVYPGZXJRAI-LBPRGKRZSA-N 1 0 260.337 1.507 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238064584 945048982 /nfs/dbraw/zinc/04/89/82/945048982.db2.gz DJUYIZFIPQHGDE-UHFFFAOYSA-N 1 0 295.358 1.733 20 10 CDCDRO O=S1(=O)CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001256392202 948300372 /nfs/dbraw/zinc/30/03/72/948300372.db2.gz LZTOALOKLRPJPH-UHFFFAOYSA-N 1 0 281.377 1.328 20 10 CDCDRO Oc1cccc(C[NH2+]C[C@H](O)COCc2ccco2)c1O ZINC001252659274 951544812 /nfs/dbraw/zinc/54/48/12/951544812.db2.gz GCEQIAICYDVAIN-LBPRGKRZSA-N 1 0 293.319 1.358 20 10 CDCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)COC(C)C ZINC001252680168 951570357 /nfs/dbraw/zinc/57/03/57/951570357.db2.gz PJDPWJRWWCCUJJ-AWEZNQCLSA-N 1 0 267.369 2.000 20 10 CDCDRO CC(C)(C)OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253472572 951925019 /nfs/dbraw/zinc/92/50/19/951925019.db2.gz ZHTRDLRKTLJAPE-CQSZACIVSA-N 1 0 279.380 1.887 20 10 CDCDRO CCCCC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001253517461 951934651 /nfs/dbraw/zinc/93/46/51/951934651.db2.gz GBTSPRLMPBUNQW-SWLSCSKDSA-N 1 0 283.368 1.662 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000839170580 955052090 /nfs/dbraw/zinc/05/20/90/955052090.db2.gz OLFSXHLUCVRAAD-RDJZCZTQSA-N 1 0 290.407 1.462 20 10 CDCDRO C[N@H+](CC(=O)NCc1c(O)cccc1O)CC(C)(C)C ZINC001304054443 956155977 /nfs/dbraw/zinc/15/59/77/956155977.db2.gz OAGVSWJCWCOLLV-UHFFFAOYSA-N 1 0 280.368 1.692 20 10 CDCDRO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001306056867 956299076 /nfs/dbraw/zinc/29/90/76/956299076.db2.gz MNHOHSJSLZUWGN-LBPRGKRZSA-N 1 0 278.352 1.193 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@@H](CO)CC(F)F)c(O)c1 ZINC001308684431 956557674 /nfs/dbraw/zinc/55/76/74/956557674.db2.gz HJCBCMQKRSBVGD-SECBINFHSA-N 1 0 275.295 1.815 20 10 CDCDRO COCC[N@H+](C)CCCNC(=O)NCc1ccc(N)cc1 ZINC001335395379 959770038 /nfs/dbraw/zinc/77/00/38/959770038.db2.gz UVIQQGQQBFTFLS-UHFFFAOYSA-N 1 0 294.399 1.036 20 10 CDCDRO Nc1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC001336117207 960209722 /nfs/dbraw/zinc/20/97/22/960209722.db2.gz QOOCJLVSJKIGHX-UHFFFAOYSA-N 1 0 262.357 1.068 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1COCCN1 ZINC001351678888 966975452 /nfs/dbraw/zinc/97/54/52/966975452.db2.gz HYPWVRQXQPSKBH-JHJVBQTASA-N 1 0 276.380 1.827 20 10 CDCDRO Nc1ccc(C[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC001356083543 969330817 /nfs/dbraw/zinc/33/08/17/969330817.db2.gz RYYJLGWMBWYMRN-OAHLLOKOSA-N 1 0 264.369 1.944 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC000848888556 969336722 /nfs/dbraw/zinc/33/67/22/969336722.db2.gz WRBPFBMZPCRJCY-CYBMUJFWSA-N 1 0 276.336 1.591 20 10 CDCDRO COc1cccc(CNC(=O)C2(C[NH3+])CCCC2)c1O ZINC001574041446 1170870859 /nfs/dbraw/zinc/87/08/59/1170870859.db2.gz HRMAVGQUMPRYKE-UHFFFAOYSA-N 1 0 278.352 1.536 20 10 CDCDRO CC(C)C[C@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001575644893 1171234077 /nfs/dbraw/zinc/23/40/77/1171234077.db2.gz RVUSHJOBWCPMDK-AAEUAGOBSA-N 1 0 294.395 1.909 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1OC ZINC000295053510 199322115 /nfs/dbraw/zinc/32/21/15/199322115.db2.gz NQFORKYKLORBRV-PWSUYJOCSA-N 1 0 281.352 1.660 20 10 CDCDRO C[C@@H](CCO)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295175763 199387719 /nfs/dbraw/zinc/38/77/19/199387719.db2.gz UZWJRBQFMQOATF-SNVBAGLBSA-N 1 0 267.325 1.619 20 10 CDCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000037740853 356923203 /nfs/dbraw/zinc/92/32/03/356923203.db2.gz IXDPEYQQOXMKQB-LLVKDONJSA-N 1 0 270.398 1.448 20 10 CDCDRO CC[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1O ZINC000180068348 357240612 /nfs/dbraw/zinc/24/06/12/357240612.db2.gz RJOXGNHCYIDKGZ-LLVKDONJSA-N 1 0 252.289 1.242 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000187829798 357812242 /nfs/dbraw/zinc/81/22/42/357812242.db2.gz XYPBBLQPCOHUKJ-WYRIXSBYSA-N 1 0 285.409 1.990 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000188690607 357926693 /nfs/dbraw/zinc/92/66/93/357926693.db2.gz LVXBBDBQJWJSSW-UHFFFAOYSA-N 1 0 253.273 1.574 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)CC2(O)CCOCC2)cc1C ZINC000188834131 357943686 /nfs/dbraw/zinc/94/36/86/357943686.db2.gz CKZOZFRDPBRLHH-UHFFFAOYSA-N 1 0 279.380 1.982 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@]23CCOC3=O)c1 ZINC000190034013 358049704 /nfs/dbraw/zinc/04/97/04/358049704.db2.gz KBJFNUDVKCHOIK-OAHLLOKOSA-N 1 0 277.320 1.682 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000117946237 359735590 /nfs/dbraw/zinc/73/55/90/359735590.db2.gz ONRWGKBCXGHEGD-JTQLQIEISA-N 1 0 290.157 1.252 20 10 CDCDRO Cc1cccc(C[N@@H+](C)CC(=O)NC(C)C)c1O ZINC000124519343 360375256 /nfs/dbraw/zinc/37/52/56/360375256.db2.gz BGQLKKUVGCWJSM-UHFFFAOYSA-N 1 0 250.342 1.657 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000158829767 364102140 /nfs/dbraw/zinc/10/21/40/364102140.db2.gz ODTCLWAOZKQHFR-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)COC)cc1 ZINC000268895039 364110306 /nfs/dbraw/zinc/11/03/06/364110306.db2.gz KKCACAYBZCHPGX-DOMZBBRYSA-N 1 0 266.385 1.801 20 10 CDCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH3+])cc2F)C[C@@H](C)O1 ZINC000269235410 364165742 /nfs/dbraw/zinc/16/57/42/364165742.db2.gz GMCPIOHTCMTWIQ-GHMZBOCLSA-N 1 0 295.358 1.014 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000271238505 364977834 /nfs/dbraw/zinc/97/78/34/364977834.db2.gz BQEXJORRLDADAF-CABZTGNLSA-N 1 0 265.309 1.324 20 10 CDCDRO C[C@@H](CN(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000168615408 364995251 /nfs/dbraw/zinc/99/52/51/364995251.db2.gz FCVSQYVJTIORDI-VIFPVBQESA-N 1 0 252.314 1.161 20 10 CDCDRO CN1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2O)C1=O ZINC000272331316 365191886 /nfs/dbraw/zinc/19/18/86/365191886.db2.gz WNIHWEGDTCCLCQ-LLVKDONJSA-N 1 0 252.289 1.194 20 10 CDCDRO COc1cccc(C[NH2+]CC(C)(C)OCCO)c1O ZINC000288473157 367309443 /nfs/dbraw/zinc/30/94/43/367309443.db2.gz PECQKZJTNZBWHJ-UHFFFAOYSA-N 1 0 269.341 1.278 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000281201358 367604164 /nfs/dbraw/zinc/60/41/64/367604164.db2.gz SABPLGNYZOWUDR-VXGBXAGGSA-N 1 0 253.342 1.667 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(F)ccc1O ZINC000282437411 367883947 /nfs/dbraw/zinc/88/39/47/367883947.db2.gz DOZMPDXZSPDZCP-BDAKNGLRSA-N 1 0 272.295 1.656 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000282600362 367955216 /nfs/dbraw/zinc/95/52/16/367955216.db2.gz HLQNVBPMKLHJHI-UHFFFAOYSA-N 1 0 295.379 1.348 20 10 CDCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)N1CCOCC1 ZINC000226582641 371885900 /nfs/dbraw/zinc/88/59/00/371885900.db2.gz WSIDMJRIHUHWPC-UHFFFAOYSA-N 1 0 282.359 1.732 20 10 CDCDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000138331198 375818200 /nfs/dbraw/zinc/81/82/00/375818200.db2.gz HWPPMELILFCSIY-CYBMUJFWSA-N 1 0 298.408 1.133 20 10 CDCDRO COc1ccc(N2CCC[N@H+](C[C@H](C)O)CC2)cc1 ZINC000194950948 375973209 /nfs/dbraw/zinc/97/32/09/375973209.db2.gz KMLMVGDKCDSXHM-ZDUSSCGKSA-N 1 0 264.369 1.588 20 10 CDCDRO COCC(C)(C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000292767166 375995947 /nfs/dbraw/zinc/99/59/47/375995947.db2.gz JYPQSRFMYZWUMI-UHFFFAOYSA-N 1 0 267.325 1.978 20 10 CDCDRO OCCCN1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000295209920 378661883 /nfs/dbraw/zinc/66/18/83/378661883.db2.gz ZXLLDOQBUXOHRD-AWEZNQCLSA-N 1 0 282.359 1.468 20 10 CDCDRO Cc1cc(C(=O)NCC[NH+](C)C)c(C)n1-c1ccccn1 ZINC000120993822 390878794 /nfs/dbraw/zinc/87/87/94/390878794.db2.gz XICNWOSVZPNJTP-UHFFFAOYSA-N 1 0 286.379 1.781 20 10 CDCDRO CCCC[N@H+](CC(N)=O)Cc1cc(C)ccc1O ZINC000132864140 390933826 /nfs/dbraw/zinc/93/38/26/390933826.db2.gz QPIJWXDORVHLQV-UHFFFAOYSA-N 1 0 250.342 1.788 20 10 CDCDRO CC(C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+](C)C ZINC000122635524 390905161 /nfs/dbraw/zinc/90/51/61/390905161.db2.gz DOISTRDRCDBXMR-CQSZACIVSA-N 1 0 280.368 1.343 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c(O)c1O ZINC000177673569 391173787 /nfs/dbraw/zinc/17/37/87/391173787.db2.gz FZIGQDDAFATRLJ-NSHDSACASA-N 1 0 292.379 1.868 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000178711147 391190728 /nfs/dbraw/zinc/19/07/28/391190728.db2.gz GAOSYISWZXVQSW-AWEZNQCLSA-N 1 0 273.380 1.513 20 10 CDCDRO Cc1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1O ZINC000183399361 391263796 /nfs/dbraw/zinc/26/37/96/391263796.db2.gz VALQBTNTGVKFBF-CQSZACIVSA-N 1 0 264.369 1.463 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)C[S@@](C)=O)c1O ZINC000168191417 391279007 /nfs/dbraw/zinc/27/90/07/391279007.db2.gz YNDLLXRSCJYQTN-XYZCENFISA-N 1 0 257.355 1.257 20 10 CDCDRO Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)c(O)c1O ZINC000281828380 391407360 /nfs/dbraw/zinc/40/73/60/391407360.db2.gz WFPJUCGTVJJFIK-UHFFFAOYSA-N 1 0 278.352 1.620 20 10 CDCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(O)c1O ZINC000126499182 260352660 /nfs/dbraw/zinc/35/26/60/260352660.db2.gz DLSIPVMDNBRKSP-GHMZBOCLSA-N 1 0 276.336 1.454 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000157088410 261139780 /nfs/dbraw/zinc/13/97/80/261139780.db2.gz RKHKVRGUTQEREN-OAHLLOKOSA-N 1 0 287.407 1.984 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000158634385 261168081 /nfs/dbraw/zinc/16/80/81/261168081.db2.gz MFKWFZSAZGNPNN-UHFFFAOYSA-N 1 0 278.352 1.488 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000184670118 262025614 /nfs/dbraw/zinc/02/56/14/262025614.db2.gz MNVPICDTYNBXBC-VIFPVBQESA-N 1 0 298.770 1.752 20 10 CDCDRO CC[N@H+](CCO)Cc1cc(Cl)cc(OC)c1O ZINC000184672296 262026371 /nfs/dbraw/zinc/02/63/71/262026371.db2.gz SXGMVWILPCZJLS-UHFFFAOYSA-N 1 0 259.733 1.868 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186224119 262312328 /nfs/dbraw/zinc/31/23/28/262312328.db2.gz BMWVUPAEVMLQPD-VIFPVBQESA-N 1 0 268.332 1.954 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272445740 263004599 /nfs/dbraw/zinc/00/45/99/263004599.db2.gz MYSYXOAQHLJHTD-CFNZNRNTSA-N 1 0 290.363 1.712 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000377527574 329017718 /nfs/dbraw/zinc/01/77/18/329017718.db2.gz YCEVETACDYCQPT-ZDUSSCGKSA-N 1 0 261.369 1.450 20 10 CDCDRO Nc1ccc(CCNC(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000378189039 329042788 /nfs/dbraw/zinc/04/27/88/329042788.db2.gz WBQAKANEQBBUPX-UHFFFAOYSA-N 1 0 295.386 1.424 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000226607667 333266082 /nfs/dbraw/zinc/26/60/82/333266082.db2.gz OOWAKBVNYSEMQF-ZIAGYGMSSA-N 1 0 280.343 1.484 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250235831 333303612 /nfs/dbraw/zinc/30/36/12/333303612.db2.gz DLJWJQRWSLNBRF-CABCVRRESA-N 1 0 273.380 1.554 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000841955633 1160689481 /nfs/dbraw/zinc/68/94/81/1160689481.db2.gz ISSDKEOJKLZCDG-CQSZACIVSA-N 1 0 290.411 1.582 20 10 CDCDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236762737 519817260 /nfs/dbraw/zinc/81/72/60/519817260.db2.gz ODRLWWYQSSLBCY-ZDUSSCGKSA-N 1 0 267.348 1.491 20 10 CDCDRO CC[NH+](CC)CCNC(=O)c1c(F)ccc(O)c1O ZINC000276536069 520680691 /nfs/dbraw/zinc/68/06/91/520680691.db2.gz IHZFPLGIWCJFMV-UHFFFAOYSA-N 1 0 270.304 1.309 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280562088 521147961 /nfs/dbraw/zinc/14/79/61/521147961.db2.gz VABMWFLWWSLMPB-CQSZACIVSA-N 1 0 265.353 1.994 20 10 CDCDRO CCOc1cccc(C[NH2+][C@]2(CCO)CCOC2)c1O ZINC000278493220 521376566 /nfs/dbraw/zinc/37/65/66/521376566.db2.gz LTBQDLKWMNQDIY-OAHLLOKOSA-N 1 0 281.352 1.422 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000289744189 523591726 /nfs/dbraw/zinc/59/17/26/523591726.db2.gz VZDKFFYQPKITTE-OLZOCXBDSA-N 1 0 262.353 1.739 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1cc(F)ccc1O ZINC000289451631 523698490 /nfs/dbraw/zinc/69/84/90/523698490.db2.gz NGHMQHOXUADSAJ-UHFFFAOYSA-N 1 0 270.348 1.541 20 10 CDCDRO COCCOCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879558 523997682 /nfs/dbraw/zinc/99/76/82/523997682.db2.gz LLDRBKHEPJDXKY-UHFFFAOYSA-N 1 0 283.324 1.264 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CN(C)CCN2C)cc1C ZINC000068801817 524072267 /nfs/dbraw/zinc/07/22/67/524072267.db2.gz OOZNREODAGRRSX-HNNXBMFYSA-N 1 0 277.412 1.339 20 10 CDCDRO Cc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1N(C)C ZINC000293491462 524675625 /nfs/dbraw/zinc/67/56/25/524675625.db2.gz NDFYRIZZSYJFMC-UHFFFAOYSA-N 1 0 275.396 1.758 20 10 CDCDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268852233 524775728 /nfs/dbraw/zinc/77/57/28/524775728.db2.gz PXEFASSUERPWCN-CHWSQXEVSA-N 1 0 296.386 1.941 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000131182491 524866656 /nfs/dbraw/zinc/86/66/56/524866656.db2.gz RRTLSXVYWLWYBT-SGTLLEGYSA-N 1 0 268.426 1.951 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1C ZINC000289852108 525314597 /nfs/dbraw/zinc/31/45/97/525314597.db2.gz VBIYXSWDHNHIBO-TZMCWYRMSA-N 1 0 251.326 1.201 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1C ZINC000280388001 525321553 /nfs/dbraw/zinc/32/15/53/525321553.db2.gz WLPGFEFYWBJDRN-UKRRQHHQSA-N 1 0 279.380 1.744 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000273467201 525728686 /nfs/dbraw/zinc/72/86/86/525728686.db2.gz FAVLWSRJDZVKBW-IAQYHMDHSA-N 1 0 275.352 1.818 20 10 CDCDRO COc1cccc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC000130671774 525944300 /nfs/dbraw/zinc/94/43/00/525944300.db2.gz FUSYTANSILSHCJ-UHFFFAOYSA-N 1 0 276.380 1.928 20 10 CDCDRO COc1cccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1O ZINC000274988826 525955100 /nfs/dbraw/zinc/95/51/00/525955100.db2.gz YQVSIVYYZZWIRB-UHFFFAOYSA-N 1 0 287.319 1.042 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000125567779 526028469 /nfs/dbraw/zinc/02/84/69/526028469.db2.gz BWWNHYUNIYSYAO-YPMLDQLKSA-N 1 0 271.382 1.648 20 10 CDCDRO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000274983245 527484211 /nfs/dbraw/zinc/48/42/11/527484211.db2.gz XYGWZCIHSSDNSD-UHFFFAOYSA-N 1 0 291.738 1.687 20 10 CDCDRO OCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976406 527539801 /nfs/dbraw/zinc/53/98/01/527539801.db2.gz AIFMYUGCVWQZJR-AWEZNQCLSA-N 1 0 265.353 1.756 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cccn1C ZINC000743061905 574434096 /nfs/dbraw/zinc/43/40/96/574434096.db2.gz QITRVHLGVDZDAX-CYBMUJFWSA-N 1 0 280.441 1.474 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)c(O)c1 ZINC000748242791 574516944 /nfs/dbraw/zinc/51/69/44/574516944.db2.gz QQXWVAQEJSMPOO-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000729683002 574820935 /nfs/dbraw/zinc/82/09/35/574820935.db2.gz NBUWGONIKNKNKQ-UHFFFAOYSA-N 1 0 294.395 1.601 20 10 CDCDRO COC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000774649807 575224043 /nfs/dbraw/zinc/22/40/43/575224043.db2.gz YTAATNSZWYRPQT-CQSZACIVSA-N 1 0 293.363 1.819 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000770292672 575436976 /nfs/dbraw/zinc/43/69/76/575436976.db2.gz OFFHJPKFARRJGN-DGCLKSJQSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C1=CC(=O)CS1 ZINC000771742928 575607237 /nfs/dbraw/zinc/60/72/37/575607237.db2.gz HCHGSESWSRFZRZ-LLVKDONJSA-N 1 0 297.424 1.210 20 10 CDCDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773010382 575774084 /nfs/dbraw/zinc/77/40/84/575774084.db2.gz UJITUGAKAPEPEI-JSGCOSHPSA-N 1 0 275.396 1.882 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773010387 575774394 /nfs/dbraw/zinc/77/43/94/575774394.db2.gz UJITUGAKAPEPEI-OCCSQVGLSA-N 1 0 275.396 1.882 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CCO)CCOC)cc1 ZINC000773750289 575837658 /nfs/dbraw/zinc/83/76/58/575837658.db2.gz XONQCILOLUPHAN-UHFFFAOYSA-N 1 0 266.385 1.583 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000773887219 575843203 /nfs/dbraw/zinc/84/32/03/575843203.db2.gz DYZICQUOSQGHEC-ZDUSSCGKSA-N 1 0 275.396 1.853 20 10 CDCDRO C[N@H+](Cc1cn[nH]c1)Cc1ccc(N2CCOCC2)cc1 ZINC000768208165 576264596 /nfs/dbraw/zinc/26/45/96/576264596.db2.gz OEWQRVKKEPDRTH-UHFFFAOYSA-N 1 0 286.379 1.878 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769403870 576352142 /nfs/dbraw/zinc/35/21/42/576352142.db2.gz YAZRBBJRUOLIAE-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769399835 576352241 /nfs/dbraw/zinc/35/22/41/576352241.db2.gz VACZFOFXHPJGRX-INIZCTEOSA-N 1 0 290.407 1.992 20 10 CDCDRO CCOc1ccc(C[N@H+](C)C2CC(O)C2)c(O)c1 ZINC000761223813 576561266 /nfs/dbraw/zinc/56/12/66/576561266.db2.gz RKWMDHQACBDKCD-UHFFFAOYSA-N 1 0 251.326 1.746 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1C ZINC000762784853 576671470 /nfs/dbraw/zinc/67/14/70/576671470.db2.gz ALRURKXCGZFVJB-CZUORRHYSA-N 1 0 278.396 1.726 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1O ZINC000762786892 576671768 /nfs/dbraw/zinc/67/17/68/576671768.db2.gz LOTUVXLAHPINMI-HZMBPMFUSA-N 1 0 284.787 1.763 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000763466604 576738338 /nfs/dbraw/zinc/73/83/38/576738338.db2.gz KGTZDXGXTFBPGB-CQSZACIVSA-N 1 0 295.379 1.668 20 10 CDCDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C1=CC(=O)CS1 ZINC000748322491 576905657 /nfs/dbraw/zinc/90/56/57/576905657.db2.gz YWCDEHSTSBXYTP-LBPRGKRZSA-N 1 0 298.408 1.637 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C)c2c1c(F)ccc2O ZINC000756552223 576995123 /nfs/dbraw/zinc/99/51/23/576995123.db2.gz DCVTZKMJSRBXHG-JFGNBEQYSA-N 1 0 282.359 1.592 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc2c(cc1O)CCCC2 ZINC000756554561 576995346 /nfs/dbraw/zinc/99/53/46/576995346.db2.gz IIPNLLLUEPQFPK-DOMZBBRYSA-N 1 0 292.423 1.844 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000757926781 577061501 /nfs/dbraw/zinc/06/15/01/577061501.db2.gz OMKJAPLUBCTYEY-MRXNPFEDSA-N 1 0 294.395 1.810 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892475441 617403632 /nfs/dbraw/zinc/40/36/32/617403632.db2.gz HSSITCBEJYKRTH-GXTWGEPZSA-N 1 0 296.436 1.665 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892099765 617480896 /nfs/dbraw/zinc/48/08/96/617480896.db2.gz YBXGOLGBZMMVRK-MNOVXSKESA-N 1 0 265.357 1.750 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891716940 617551979 /nfs/dbraw/zinc/55/19/79/617551979.db2.gz BJDQTUXFNMETOQ-JTQLQIEISA-N 1 0 297.351 1.650 20 10 CDCDRO C[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000892237111 617569685 /nfs/dbraw/zinc/56/96/85/617569685.db2.gz HLBFLPGEQITSDV-NSHDSACASA-N 1 0 297.786 1.939 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043710176 617577114 /nfs/dbraw/zinc/57/71/14/617577114.db2.gz IMPUMWMOCQBLIA-HNNXBMFYSA-N 1 0 291.395 1.090 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@]2(C)CO)c(O)c1OC ZINC000893885371 618139780 /nfs/dbraw/zinc/13/97/80/618139780.db2.gz YJGJGFOVZXIUGZ-OAHLLOKOSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(O)c1OC ZINC000893959567 618225176 /nfs/dbraw/zinc/22/51/76/618225176.db2.gz KWQKGFJRIWVFIQ-ZYHUDNBSSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC3(C2)OCCO3)c1O ZINC000893994660 618235439 /nfs/dbraw/zinc/23/54/39/618235439.db2.gz CGKWCPGHWQMABN-UHFFFAOYSA-N 1 0 279.336 1.658 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnnn1C ZINC000924861078 618394362 /nfs/dbraw/zinc/39/43/62/618394362.db2.gz HJFFUMMXXCGCKU-JTQLQIEISA-N 1 0 277.347 1.871 20 10 CDCDRO Nc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000832250720 618641626 /nfs/dbraw/zinc/64/16/26/618641626.db2.gz ZODHPWHLMMTFKL-CQSZACIVSA-N 1 0 285.351 1.642 20 10 CDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC000843057224 618691124 /nfs/dbraw/zinc/69/11/24/618691124.db2.gz GUZRMRRTWRPJAA-VHSXEESVSA-N 1 0 264.325 1.303 20 10 CDCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H](C)CO ZINC000894582273 618975536 /nfs/dbraw/zinc/97/55/36/618975536.db2.gz NBPTWRFAMIXNOX-SNVBAGLBSA-N 1 0 269.341 1.612 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H](C)O ZINC000894904460 619136343 /nfs/dbraw/zinc/13/63/43/619136343.db2.gz INHPUEDAHWJXMB-JQWIXIFHSA-N 1 0 253.342 1.958 20 10 CDCDRO COc1ccc(C[NH2+]C/C=C/CO)c(O)c1OC ZINC000895336476 619578783 /nfs/dbraw/zinc/57/87/83/619578783.db2.gz GGBNQUPLOVUYRB-ONEGZZNKSA-N 1 0 253.298 1.048 20 10 CDCDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000895433375 619659391 /nfs/dbraw/zinc/65/93/91/619659391.db2.gz LMJXOPLBYBEMBY-CQSZACIVSA-N 1 0 274.364 1.626 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCSC[C@@H]2CO)c1O ZINC000895471673 619690283 /nfs/dbraw/zinc/69/02/83/619690283.db2.gz ZSZUOOULHYBALZ-LBPRGKRZSA-N 1 0 283.393 1.619 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000895747403 619821958 /nfs/dbraw/zinc/82/19/58/619821958.db2.gz HLNZUOTZHRMZEX-KBPBESRZSA-N 1 0 295.379 1.729 20 10 CDCDRO O=C1NCCN1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000895814864 619858354 /nfs/dbraw/zinc/85/83/54/619858354.db2.gz RFIFIROSMZEAGK-UHFFFAOYSA-N 1 0 269.732 1.160 20 10 CDCDRO CCOCCOCC[NH2+]Cc1c(C)cccc1O ZINC000897204299 620417020 /nfs/dbraw/zinc/41/70/20/620417020.db2.gz MVKWMXBTUHBEMV-UHFFFAOYSA-N 1 0 253.342 1.843 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCOCC2)cc1C ZINC000035052427 620627227 /nfs/dbraw/zinc/62/72/27/620627227.db2.gz IWOOJGUZNFCJSG-UHFFFAOYSA-N 1 0 264.369 1.425 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCN2C)c1O ZINC000903316045 625970311 /nfs/dbraw/zinc/97/03/11/625970311.db2.gz MFMMSGLJHRTKIM-GHMZBOCLSA-N 1 0 250.342 1.756 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@]1(F)CC[NH2+]C1 ZINC000829528675 630911581 /nfs/dbraw/zinc/91/15/81/630911581.db2.gz VDTZDMVLSPIIAY-NSHDSACASA-N 1 0 289.401 1.443 20 10 CDCDRO COCCOCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921591851 633093925 /nfs/dbraw/zinc/09/39/25/633093925.db2.gz HKOXSKMAUMEJAF-UHFFFAOYSA-N 1 0 265.353 1.764 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000794379822 1162468933 /nfs/dbraw/zinc/46/89/33/1162468933.db2.gz XLWLDYZWUJRFMX-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1cccc(N)c1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170570840 1162957199 /nfs/dbraw/zinc/95/71/99/1162957199.db2.gz LNOCXNRIHPIUEK-JOYOIKCWSA-N 1 0 251.330 1.066 20 10 CDCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000088658058 1158735062 /nfs/dbraw/zinc/73/50/62/1158735062.db2.gz FSJRYMPUDYVUCR-HNNXBMFYSA-N 1 0 291.395 1.090 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](CO)COC(C)C)c1 ZINC000809768480 1163078006 /nfs/dbraw/zinc/07/80/06/1163078006.db2.gz MRZMTXPGWCUHCW-AWEZNQCLSA-N 1 0 267.369 1.918 20 10 CDCDRO Nc1ccc(CCNC(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000841956299 1160688791 /nfs/dbraw/zinc/68/87/91/1160688791.db2.gz BHMGYBGIYJTEDF-UHFFFAOYSA-N 1 0 299.378 1.040 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C1(C[NH3+])CCCC1 ZINC000123007166 1165151899 /nfs/dbraw/zinc/15/18/99/1165151899.db2.gz NVPVMBQPUWTADK-UHFFFAOYSA-N 1 0 262.353 1.870 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC000872267081 1165405636 /nfs/dbraw/zinc/40/56/36/1165405636.db2.gz RVZVPLCJQMZNRT-BETUJISGSA-N 1 0 263.337 1.869 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H](C)OC)CC2)c(OC)c1 ZINC000877708845 1166080961 /nfs/dbraw/zinc/08/09/61/1166080961.db2.gz XRFQEVSCFJQLIY-CYBMUJFWSA-N 1 0 294.395 1.861 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000877786798 1166099838 /nfs/dbraw/zinc/09/98/38/1166099838.db2.gz ZENVOZITUMTHLF-UHFFFAOYSA-N 1 0 294.351 1.290 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000877799419 1166102820 /nfs/dbraw/zinc/10/28/20/1166102820.db2.gz MWVHMSOTJUKFSK-UHFFFAOYSA-N 1 0 278.396 1.319 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCN(C)C[C@@H]2CO)cc1 ZINC000879001436 1166283133 /nfs/dbraw/zinc/28/31/33/1166283133.db2.gz XDATXXPUWCMTKY-MRXNPFEDSA-N 1 0 277.412 1.251 20 10 CDCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1c(O)cccc1O ZINC001580508608 1172456761 /nfs/dbraw/zinc/45/67/61/1172456761.db2.gz NHIZVTUKTFSHFP-YOGCLGLASA-N 1 0 290.363 1.635 20 10 CDCDRO O=C(NCc1cccc(Cl)c1O)[C@H]1CCC[NH2+]1 ZINC001580718093 1172521273 /nfs/dbraw/zinc/52/12/73/1172521273.db2.gz AUIWSEFPOSCATO-SNVBAGLBSA-N 1 0 254.717 1.414 20 10 CDCDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870987676 1165250001 /nfs/dbraw/zinc/25/00/01/1165250001.db2.gz AEKVDGXQRAXPGR-MWLCHTKSSA-N 1 0 268.382 1.650 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCN2CCCC2=O)cc1F ZINC000124193711 1165464168 /nfs/dbraw/zinc/46/41/68/1165464168.db2.gz FMLUUIZCNSSCQT-UHFFFAOYSA-N 1 0 293.386 1.946 20 10 CDCDRO CC(=O)N1CC[N@H+](Cc2ccc(C)cc2O)[C@H](C)C1 ZINC000876748186 1165907979 /nfs/dbraw/zinc/90/79/79/1165907979.db2.gz XVZALAKAYOKJEY-GFCCVEGCSA-N 1 0 262.353 1.753 20 10 CDCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876914721 1165939248 /nfs/dbraw/zinc/93/92/48/1165939248.db2.gz HBNMPYIZPHAEHY-QGZVFWFLSA-N 1 0 292.423 1.898 20 10 CDCDRO CC(C)(CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877041633 1165963866 /nfs/dbraw/zinc/96/38/66/1165963866.db2.gz ICNKDIFVSBUWSC-UHFFFAOYSA-N 1 0 292.423 1.898 20 10 CDCDRO C[C@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCCCC1 ZINC000126360312 1165978466 /nfs/dbraw/zinc/97/84/66/1165978466.db2.gz FORPPNGPDIISAD-LLVKDONJSA-N 1 0 278.352 1.702 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000825942880 1165983090 /nfs/dbraw/zinc/98/30/90/1165983090.db2.gz NLXOCWMLWBHQOK-WBVHZDCISA-N 1 0 287.407 1.711 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000825973798 1166050077 /nfs/dbraw/zinc/05/00/77/1166050077.db2.gz QONVZUPWGSMPNG-HOCLYGCPSA-N 1 0 273.380 1.368 20 10 CDCDRO NC(=O)S(=O)(=O)c1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173884033 912893321 /nfs/dbraw/zinc/89/33/21/912893321.db2.gz CXGKZDLHDYTXAP-UHFFFAOYSA-N 1 0 293.304 1.219 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071264281 895244502 /nfs/dbraw/zinc/24/45/02/895244502.db2.gz HHDKVHFBNXCFOJ-AWEZNQCLSA-N 1 0 264.369 1.166 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c(O)c1 ZINC001272626430 914209203 /nfs/dbraw/zinc/20/92/03/914209203.db2.gz XAHQWTNIHXSISD-INIZCTEOSA-N 1 0 290.363 1.598 20 10 CDCDRO O=S1(=O)CCCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000694583681 898556296 /nfs/dbraw/zinc/55/62/96/898556296.db2.gz GNNUJVMGKLRGTK-OLZOCXBDSA-N 1 0 295.404 1.936 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](CO)CC2)c1O ZINC000294081462 899151128 /nfs/dbraw/zinc/15/11/28/899151128.db2.gz QZNNBWLHDLJULC-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185815200 899760190 /nfs/dbraw/zinc/76/01/90/899760190.db2.gz WLTRUXLSIDAHOF-WOMSROEHSA-N 1 0 290.407 1.940 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141161450 899833407 /nfs/dbraw/zinc/83/34/07/899833407.db2.gz ROKYRXITGCIGKM-NSHDSACASA-N 1 0 279.336 1.873 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(Cl)ccc2O)CCCO1 ZINC000313344136 900382015 /nfs/dbraw/zinc/38/20/15/900382015.db2.gz CJMLQTXLUHNSQQ-LBPRGKRZSA-N 1 0 270.760 1.595 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000692838632 900604726 /nfs/dbraw/zinc/60/47/26/900604726.db2.gz KNSBEDRLVAHVIA-GFCCVEGCSA-N 1 0 283.393 1.794 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CNCCO2)cc1C ZINC000258963433 901028566 /nfs/dbraw/zinc/02/85/66/901028566.db2.gz SAQJLDFLZZKAOP-CYBMUJFWSA-N 1 0 250.342 1.082 20 10 CDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000126920027 905536640 /nfs/dbraw/zinc/53/66/40/905536640.db2.gz QASAFGSDUBTUJW-IUODEOHRSA-N 1 0 275.396 1.757 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922081237 921267901 /nfs/dbraw/zinc/26/79/01/921267901.db2.gz KBMGVHSIFLNOKV-ZDUSSCGKSA-N 1 0 251.326 1.109 20 10 CDCDRO CN(C)c1ncc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC000841037046 906879111 /nfs/dbraw/zinc/87/91/11/906879111.db2.gz XZVXAZNWKIFDJQ-UHFFFAOYSA-N 1 0 271.368 1.457 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCC(O)CC1)CC2 ZINC000321542509 907725907 /nfs/dbraw/zinc/72/59/07/907725907.db2.gz LBVLYHTVEIAOEF-AWEZNQCLSA-N 1 0 276.380 1.426 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654572 907748702 /nfs/dbraw/zinc/74/87/02/907748702.db2.gz NELGQSIUJLUPCZ-AWEZNQCLSA-N 1 0 278.400 1.535 20 10 CDCDRO C[C@@H](CCCC[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841955420 908835631 /nfs/dbraw/zinc/83/56/31/908835631.db2.gz BMOWOFVVINRZIM-LBPRGKRZSA-N 1 0 278.400 1.628 20 10 CDCDRO O=C1CC[C@H]2C[C@H]([NH2+]Cc3cccc(O)c3O)CCN12 ZINC001172164990 911409913 /nfs/dbraw/zinc/40/99/13/911409913.db2.gz LRBIBFMZFJAZJA-NEPJUHHUSA-N 1 0 276.336 1.341 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000096248678 911865667 /nfs/dbraw/zinc/86/56/67/911865667.db2.gz QZRZCHGZEFLGRU-CVEARBPZSA-N 1 0 275.396 1.267 20 10 CDCDRO CCCN(Cc1cn(C)nn1)c1ccc(C[NH3+])cc1 ZINC000233019979 914947427 /nfs/dbraw/zinc/94/74/27/914947427.db2.gz XZCKCRLBBJOXQP-UHFFFAOYSA-N 1 0 259.357 1.690 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccn2C)c1 ZINC000071273011 917423672 /nfs/dbraw/zinc/42/36/72/917423672.db2.gz XFXDQVUQQNWDSJ-JTQLQIEISA-N 1 0 261.325 1.985 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000829764228 936431105 /nfs/dbraw/zinc/43/11/05/936431105.db2.gz HNTVLPLCWZINOR-GFCCVEGCSA-N 1 0 285.338 1.660 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](F)[C@H](O)C3)ccc21 ZINC001138354204 936525133 /nfs/dbraw/zinc/52/51/33/936525133.db2.gz APWPMXRKZOFPOW-GDBMZVCRSA-N 1 0 278.371 1.974 20 10 CDCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000831875860 936544700 /nfs/dbraw/zinc/54/47/00/936544700.db2.gz CNVSHOIRONFUDP-ZDUSSCGKSA-N 1 0 289.423 2.000 20 10 CDCDRO OC1CC2(C1)C[NH+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138494815 936542389 /nfs/dbraw/zinc/54/23/89/936542389.db2.gz LZTAZXGOZUHNPX-UHFFFAOYSA-N 1 0 288.391 1.480 20 10 CDCDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000832244807 936568854 /nfs/dbraw/zinc/56/88/54/936568854.db2.gz XEUDTKZUASTPSH-SWLSCSKDSA-N 1 0 277.368 1.740 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCS2)cc1 ZINC000832267327 936570607 /nfs/dbraw/zinc/57/06/07/936570607.db2.gz QORRPGMGBLQXPA-KBPBESRZSA-N 1 0 293.436 1.764 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CCC2)cc1 ZINC000832293368 936572368 /nfs/dbraw/zinc/57/23/68/936572368.db2.gz VOTALYUXEXYDGD-CQSZACIVSA-N 1 0 261.369 1.669 20 10 CDCDRO Cc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832292940 936572396 /nfs/dbraw/zinc/57/23/96/936572396.db2.gz NQPHFUYTUNTSDM-HNNXBMFYSA-N 1 0 298.390 1.886 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000832455381 936580201 /nfs/dbraw/zinc/58/02/01/936580201.db2.gz FTUPOWDYQCEAHR-GDBMZVCRSA-N 1 0 278.396 1.955 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)COCC[NH3+])cc1 ZINC000827340498 936587841 /nfs/dbraw/zinc/58/78/41/936587841.db2.gz COTIGXSUDIWWOE-UHFFFAOYSA-N 1 0 279.384 1.124 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000832659196 936590242 /nfs/dbraw/zinc/59/02/42/936590242.db2.gz SCEXNMRIOWILEW-QGZVFWFLSA-N 1 0 295.386 1.815 20 10 CDCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001139125160 936599674 /nfs/dbraw/zinc/59/96/74/936599674.db2.gz NTWAUAJADDZFBN-HZMBPMFUSA-N 1 0 289.331 1.620 20 10 CDCDRO COc1cc(CN2CC(OC)C2)cc(C[NH+](C)C)c1O ZINC001139252919 936611444 /nfs/dbraw/zinc/61/14/44/936611444.db2.gz FKFHVPRTMBWQFP-UHFFFAOYSA-N 1 0 280.368 1.293 20 10 CDCDRO COc1cc(CN2CCO[C@H]3C[C@H]32)cc(C[NH+](C)C)c1O ZINC001139259077 936611908 /nfs/dbraw/zinc/61/19/08/936611908.db2.gz HHWSECDLRSJABC-KGLIPLIRSA-N 1 0 292.379 1.436 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000827901511 936613303 /nfs/dbraw/zinc/61/33/03/936613303.db2.gz OUYZXCBDIXKRIS-CMPLNLGQSA-N 1 0 279.359 1.506 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1(CO)CC1 ZINC000827904082 936613454 /nfs/dbraw/zinc/61/34/54/936613454.db2.gz UQZYWAMPBVXGGJ-UHFFFAOYSA-N 1 0 251.282 1.078 20 10 CDCDRO COc1c(O)c(C[N@H+](C)CC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000775062876 920250886 /nfs/dbraw/zinc/25/08/86/920250886.db2.gz KERVPIZTTORHMK-UHFFFAOYSA-N 1 0 296.323 1.656 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)CC1=O ZINC000391500079 936658242 /nfs/dbraw/zinc/65/82/42/936658242.db2.gz VOBKOFQJNVINMV-NEPJUHHUSA-N 1 0 262.353 1.972 20 10 CDCDRO CN1CCC2(C[NH+](Cc3cc(F)ccc3O)C2)C1=O ZINC001140056234 936674412 /nfs/dbraw/zinc/67/44/12/936674412.db2.gz NHTHWHWHMGSQEL-UHFFFAOYSA-N 1 0 264.300 1.195 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3cc(F)ccc3O)C2)C1 ZINC001140055191 936674452 /nfs/dbraw/zinc/67/44/52/936674452.db2.gz BHTYGAVLQDLKPX-UHFFFAOYSA-N 1 0 278.327 1.586 20 10 CDCDRO O=C1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1 ZINC000396743349 936702130 /nfs/dbraw/zinc/70/21/30/936702130.db2.gz IZJDSJSCVYVRBZ-LLVKDONJSA-N 1 0 268.744 1.804 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140622857 936732066 /nfs/dbraw/zinc/73/20/66/936732066.db2.gz CBNXDUBQMKZWKM-AWEZNQCLSA-N 1 0 262.353 1.753 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(O)c(C)c1O ZINC001140751126 936750154 /nfs/dbraw/zinc/75/01/54/936750154.db2.gz KNXPGGZZTRQBJM-STQMWFEESA-N 1 0 262.353 1.685 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c(O)c1 ZINC001140958214 936784128 /nfs/dbraw/zinc/78/41/28/936784128.db2.gz UIKNWYAEZMMVSX-UHFFFAOYSA-N 1 0 275.352 1.348 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CC[C@H]3C2)c(OC)c1 ZINC001141032893 936795875 /nfs/dbraw/zinc/79/58/75/936795875.db2.gz RIIBFTQVESMKKJ-NSHDSACASA-N 1 0 278.352 1.299 20 10 CDCDRO Cn1cnc2c1CCN(Cc1cc(O)ccc1O)C2 ZINC001141160980 936822898 /nfs/dbraw/zinc/82/28/98/936822898.db2.gz LNFXUAPWSZJQBH-UHFFFAOYSA-N 1 0 259.309 1.390 20 10 CDCDRO COc1cc(C(=O)NCC[C@H]2CCC[N@@H+]2C)cc(O)c1O ZINC001193113816 923457575 /nfs/dbraw/zinc/45/75/75/923457575.db2.gz DNIWGYQDRUXKJQ-LLVKDONJSA-N 1 0 294.351 1.321 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000839648748 936917858 /nfs/dbraw/zinc/91/78/58/936917858.db2.gz DFLAXITWLZFKGM-GOEBONIOSA-N 1 0 278.396 1.630 20 10 CDCDRO CC[N@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775649419 924537460 /nfs/dbraw/zinc/53/74/60/924537460.db2.gz REMZBVPODYQWDU-UHFFFAOYSA-N 1 0 291.439 1.907 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c1 ZINC000840154291 936941081 /nfs/dbraw/zinc/94/10/81/936941081.db2.gz WQYIEHGYFBPHFW-KBPBESRZSA-N 1 0 290.363 1.098 20 10 CDCDRO COC(=O)c1cc(N2CC[C@@H]([NH3+])C2)ccc1OC(F)F ZINC001164281418 924743781 /nfs/dbraw/zinc/74/37/81/924743781.db2.gz BSBANPONVYDBAA-MRVPVSSYSA-N 1 0 286.278 1.612 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1cc(OC)ccc1O ZINC000775701456 924841234 /nfs/dbraw/zinc/84/12/34/924841234.db2.gz XMHGFJFYENSXFK-UHFFFAOYSA-N 1 0 297.351 1.412 20 10 CDCDRO O=S(=O)(CC[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000840882705 936965683 /nfs/dbraw/zinc/96/56/83/936965683.db2.gz JWEGDVWXSODIFI-LBPRGKRZSA-N 1 0 281.377 1.546 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000840974823 936970136 /nfs/dbraw/zinc/97/01/36/936970136.db2.gz HVBAGSMOEVVPLF-ZBFHGGJFSA-N 1 0 278.396 1.236 20 10 CDCDRO Oc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)cc1O ZINC001203874201 925107597 /nfs/dbraw/zinc/10/75/97/925107597.db2.gz STNUZLWBWPWVEE-UHFFFAOYSA-N 1 0 285.347 1.815 20 10 CDCDRO COc1ccc(O)c(CN[C@H](CC[NH3+])C(F)F)c1 ZINC000841073592 936974182 /nfs/dbraw/zinc/97/41/82/936974182.db2.gz HEGSKXMHLLKOPZ-SNVBAGLBSA-N 1 0 260.284 1.473 20 10 CDCDRO CC[C@H]([NH3+])CNCc1cc(OC)c(OC)cc1O ZINC000841073042 936974383 /nfs/dbraw/zinc/97/43/83/936974383.db2.gz UUKIEJTYEFDFQK-JTQLQIEISA-N 1 0 254.330 1.236 20 10 CDCDRO CN(C)c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1F ZINC000841078453 936974581 /nfs/dbraw/zinc/97/45/81/936974581.db2.gz HWSLEGMMHBRQDT-RYUDHWBXSA-N 1 0 269.339 1.681 20 10 CDCDRO C[NH2+]CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709639 937011992 /nfs/dbraw/zinc/01/19/92/937011992.db2.gz JFCVBSRIWQAMGK-UHFFFAOYSA-N 1 0 276.384 1.305 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758199 937013975 /nfs/dbraw/zinc/01/39/75/937013975.db2.gz FYTMRHSCEQUCDY-NSHDSACASA-N 1 0 276.384 1.215 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841925206 937023525 /nfs/dbraw/zinc/02/35/25/937023525.db2.gz BSBQQRZRZKMZOI-GFCCVEGCSA-N 1 0 277.368 1.533 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000841943587 937024124 /nfs/dbraw/zinc/02/41/24/937024124.db2.gz RLCCJCFNOUUYIX-GHMZBOCLSA-N 1 0 293.367 1.513 20 10 CDCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@H](O)CO ZINC001252075863 926297911 /nfs/dbraw/zinc/29/79/11/926297911.db2.gz YKYGZNBNAYXQDS-NHYWBVRUSA-N 1 0 279.380 1.575 20 10 CDCDRO COc1c([O-])c(C[N@H+](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000843050129 937106819 /nfs/dbraw/zinc/10/68/19/937106819.db2.gz DJVQSJIVPBAAHW-UHFFFAOYSA-N 1 0 269.301 1.090 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000843119739 937114110 /nfs/dbraw/zinc/11/41/10/937114110.db2.gz GRDVQDOCVIFFSV-NEPJUHHUSA-N 1 0 264.369 1.973 20 10 CDCDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)[C@H]1CCOC1 ZINC000850342519 927417123 /nfs/dbraw/zinc/41/71/23/927417123.db2.gz MDBYMAHRNUQMGP-WFASDCNBSA-N 1 0 265.353 1.842 20 10 CDCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccn1 ZINC000853099185 927947859 /nfs/dbraw/zinc/94/78/59/927947859.db2.gz SHMMHLPVPSDTAB-OAHLLOKOSA-N 1 0 270.332 1.840 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CO1 ZINC001169336982 927962962 /nfs/dbraw/zinc/96/29/62/927962962.db2.gz AGRGLHXVBVAMCY-FZMZJTMJSA-N 1 0 295.335 1.298 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)=O)C1 ZINC001169559662 928176291 /nfs/dbraw/zinc/17/62/91/928176291.db2.gz IIEZKOCDRHKCSA-CQSZACIVSA-N 1 0 262.353 1.835 20 10 CDCDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(O)c1O ZINC000855899634 928505441 /nfs/dbraw/zinc/50/54/41/928505441.db2.gz QRAJYYINULEFKQ-GFCCVEGCSA-N 1 0 292.379 1.948 20 10 CDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000776868582 928526794 /nfs/dbraw/zinc/52/67/94/928526794.db2.gz IQXHETLBPIKTFF-IVMMDQJWSA-N 1 0 295.379 1.863 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000691436020 928620528 /nfs/dbraw/zinc/62/05/28/928620528.db2.gz RFVARAYQLDIUIM-UHFFFAOYSA-N 1 0 283.393 1.621 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(C)cc1O ZINC000858601631 928894484 /nfs/dbraw/zinc/89/44/84/928894484.db2.gz HOZNUQBHTBQOQK-DZGCQCFKSA-N 1 0 278.396 1.808 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CCCS2(=O)=O)c1O ZINC000691473096 928960428 /nfs/dbraw/zinc/96/04/28/928960428.db2.gz GUUAMCRISWAWIF-UHFFFAOYSA-N 1 0 298.408 1.080 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)[C@@H]1C ZINC000787420283 929369072 /nfs/dbraw/zinc/36/90/72/929369072.db2.gz FHDUIFGPWURZSU-ZYHUDNBSSA-N 1 0 279.336 1.784 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(O)c1O ZINC000862793453 929468897 /nfs/dbraw/zinc/46/88/97/929468897.db2.gz PLZRWXLFVDFLFM-LBPRGKRZSA-N 1 0 292.379 1.868 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000788532969 929553451 /nfs/dbraw/zinc/55/34/51/929553451.db2.gz BFWXJCPDVFSVGC-IAQYHMDHSA-N 1 0 281.352 1.420 20 10 CDCDRO CON(C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883171115 930156662 /nfs/dbraw/zinc/15/66/62/930156662.db2.gz OTUZVYAPEJSYKB-UHFFFAOYSA-N 1 0 293.411 1.231 20 10 CDCDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816499667 930288101 /nfs/dbraw/zinc/28/81/01/930288101.db2.gz WUOFPSOUTQBOMY-AWEZNQCLSA-N 1 0 286.331 1.232 20 10 CDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000133463250 930385592 /nfs/dbraw/zinc/38/55/92/930385592.db2.gz CWVRVQKUUCOCOW-HIFRSBDPSA-N 1 0 277.412 1.609 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000817896937 930621473 /nfs/dbraw/zinc/62/14/73/930621473.db2.gz ZMWBXGMGTLYLOY-SJORKVTESA-N 1 0 289.423 1.609 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817945497 930642737 /nfs/dbraw/zinc/64/27/37/930642737.db2.gz DZAGZONRDYLXQV-WDEREUQCSA-N 1 0 279.340 1.951 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNCCO2)c2c1c(F)ccc2O ZINC000817984169 930658555 /nfs/dbraw/zinc/65/85/55/930658555.db2.gz VQYLDTYLKMEVSN-SCVCMEIPSA-N 1 0 280.343 1.658 20 10 CDCDRO CCOC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819373929 930800330 /nfs/dbraw/zinc/80/03/30/930800330.db2.gz DZPNLZNWSGDIQU-WMLDXEAASA-N 1 0 294.439 1.979 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c(O)c1 ZINC000886229742 930832356 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931879600 /nfs/dbraw/zinc/87/96/00/931879600.db2.gz YBVFCQXHEURGTC-JTQLQIEISA-N 1 0 295.335 1.579 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](C)CO1 ZINC001144516179 931880741 /nfs/dbraw/zinc/88/07/41/931880741.db2.gz RZPQZSDSNODLBQ-DTWKUNHWSA-N 1 0 253.298 1.413 20 10 CDCDRO COC(=O)CC[N@H+](Cc1c(O)cc(O)cc1O)C1CC1 ZINC001144515803 931881103 /nfs/dbraw/zinc/88/11/03/931881103.db2.gz FWNGKIWBMDHFBW-UHFFFAOYSA-N 1 0 281.308 1.331 20 10 CDCDRO CC[S@](=O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148199 931980815 /nfs/dbraw/zinc/98/08/15/931980815.db2.gz XQCFLJQXFVXPCM-YPMLDQLKSA-N 1 0 271.382 1.820 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(OC)CCOC2)c1O ZINC000846165579 931983960 /nfs/dbraw/zinc/98/39/60/931983960.db2.gz PCCQYPZLFFDQRD-ABAIWWIYSA-N 1 0 281.352 1.857 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]Cc2cncn2C)c1O ZINC000846172718 931985116 /nfs/dbraw/zinc/98/51/16/931985116.db2.gz OODPTVLYZKQSJL-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO C[N@H+](C1CN(Cc2cccc(F)c2O)C1)[C@H]1CCOC1 ZINC001138128406 932459434 /nfs/dbraw/zinc/45/94/34/932459434.db2.gz HZPUXPSXJHYCGT-LBPRGKRZSA-N 1 0 280.343 1.436 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000925399930 932881086 /nfs/dbraw/zinc/88/10/86/932881086.db2.gz QUVLFATVIBVEQM-HNNXBMFYSA-N 1 0 290.411 1.598 20 10 CDCDRO c1cc(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc2c1OCC2 ZINC000925560766 932905225 /nfs/dbraw/zinc/90/52/25/932905225.db2.gz XRUXKLSPRJEWGM-IUKJFTNHSA-N 1 0 270.376 1.708 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1F ZINC000158819632 934302643 /nfs/dbraw/zinc/30/26/43/934302643.db2.gz OJIXOTZOXQMMDJ-UHFFFAOYSA-N 1 0 293.386 1.992 20 10 CDCDRO CC[C@]1(O)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000779218508 934481293 /nfs/dbraw/zinc/48/12/93/934481293.db2.gz FYKLTXHXTVYMJU-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001120591997 937815057 /nfs/dbraw/zinc/81/50/57/937815057.db2.gz OHANBWMDENTUOM-OAHLLOKOSA-N 1 0 288.395 1.649 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000381947878 935789821 /nfs/dbraw/zinc/78/98/21/935789821.db2.gz ANNGUHRDPUEGJA-ZYHUDNBSSA-N 1 0 262.353 1.882 20 10 CDCDRO C[C@]1(CNC(=O)NCc2ccc(N)cc2)CCC[NH2+]C1 ZINC001120630435 937819628 /nfs/dbraw/zinc/81/96/28/937819628.db2.gz ATDKCBGCMAFWBZ-HNNXBMFYSA-N 1 0 276.384 1.458 20 10 CDCDRO [NH3+]CCS(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001238379050 945165445 /nfs/dbraw/zinc/16/54/45/945165445.db2.gz NTUYWAWJXAOXOA-UHFFFAOYSA-N 1 0 297.424 1.055 20 10 CDCDRO CCNC(=O)COC1CC[NH+](Cc2ccccc2O)CC1 ZINC001203563229 939693422 /nfs/dbraw/zinc/69/34/22/939693422.db2.gz WAWHHKFIMIHXRU-UHFFFAOYSA-N 1 0 292.379 1.509 20 10 CDCDRO C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1O ZINC001203558263 939693537 /nfs/dbraw/zinc/69/35/37/939693537.db2.gz AVVHYKOJDWQWEO-UHFFFAOYSA-N 1 0 263.385 1.071 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2CO)c1O ZINC001203586133 939694988 /nfs/dbraw/zinc/69/49/88/939694988.db2.gz ZEIQUXDJFKMYTQ-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1 ZINC001203669404 939700649 /nfs/dbraw/zinc/70/06/49/939700649.db2.gz AZSMYCFUOJJJTJ-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)cc1O ZINC001203874863 939710232 /nfs/dbraw/zinc/71/02/32/939710232.db2.gz DPANTOTXPFBSRS-CQSZACIVSA-N 1 0 269.316 1.784 20 10 CDCDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(O)c(O)c3)C2)n1 ZINC001203878590 939711198 /nfs/dbraw/zinc/71/11/98/939711198.db2.gz DIDADITUXNGYOR-LLVKDONJSA-N 1 0 275.308 1.779 20 10 CDCDRO CN1CC[N@H+](Cc2ccc(O)cc2O)Cc2cccnc21 ZINC001204274626 939749948 /nfs/dbraw/zinc/74/99/48/939749948.db2.gz RFLAGDWFYUPJOB-UHFFFAOYSA-N 1 0 285.347 1.945 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001204279456 939752854 /nfs/dbraw/zinc/75/28/54/939752854.db2.gz ZFYOXJATWPJEPN-SMDDNHRTSA-N 1 0 262.353 1.624 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)cc(O)c1O ZINC001204343506 939757168 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C[NH+]1CC2(C1)CCN(c1ccc3c(c1)OCCO3)CC2 ZINC001277014879 941816300 /nfs/dbraw/zinc/81/63/00/941816300.db2.gz WZXOBKXYNDXNFL-UHFFFAOYSA-N 1 0 274.364 1.990 20 10 CDCDRO NC(=O)[C@H]1[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001277441239 942576280 /nfs/dbraw/zinc/57/62/80/942576280.db2.gz JZCHBWSDVDQTHP-DABQJJPHSA-N 1 0 260.337 1.336 20 10 CDCDRO Cc1cc(C)c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(O)c1 ZINC001231843344 943025959 /nfs/dbraw/zinc/02/59/59/943025959.db2.gz WKMLXMSSVLCDKI-CYBMUJFWSA-N 1 0 281.396 1.963 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CC(N(C)C3COC3)C2)c(O)c1 ZINC001231846432 943026179 /nfs/dbraw/zinc/02/61/79/943026179.db2.gz LVRJPIYWSWYRFV-UHFFFAOYSA-N 1 0 276.380 1.524 20 10 CDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1OC ZINC001231855900 943031307 /nfs/dbraw/zinc/03/13/07/943031307.db2.gz IDGPATWPCGEIQN-CQSZACIVSA-N 1 0 264.369 1.982 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC001231852137 943031784 /nfs/dbraw/zinc/03/17/84/943031784.db2.gz QSWPRKRPRQYWQE-CQSZACIVSA-N 1 0 264.369 1.718 20 10 CDCDRO NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258785 943190328 /nfs/dbraw/zinc/19/03/28/943190328.db2.gz PEEOAQWDXMLYQE-QMMMGPOBSA-N 1 0 284.743 1.449 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1 ZINC001232840239 943416082 /nfs/dbraw/zinc/41/60/82/943416082.db2.gz QOHMJBUAYCBXES-FZMZJTMJSA-N 1 0 289.379 1.026 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001233287507 943532106 /nfs/dbraw/zinc/53/21/06/943532106.db2.gz SYDWESBJMAJTLH-QWRGUYRKSA-N 1 0 289.734 1.959 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1O ZINC001233482783 943591056 /nfs/dbraw/zinc/59/10/56/943591056.db2.gz BRXMIJLYGCXXTB-OQPBUACISA-N 1 0 253.298 1.006 20 10 CDCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(O)c(O)cc3O)[C@H]2C1 ZINC001233485628 943593666 /nfs/dbraw/zinc/59/36/66/943593666.db2.gz DQXKFRVQUUIXTP-PWSUYJOCSA-N 1 0 278.352 1.329 20 10 CDCDRO [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC000381379028 943902511 /nfs/dbraw/zinc/90/25/11/943902511.db2.gz RNHNCZNJSNRRPF-NSHDSACASA-N 1 0 250.342 1.659 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(O)c(Br)cc1O)C2 ZINC001236023110 944379537 /nfs/dbraw/zinc/37/95/37/944379537.db2.gz GABBJBFVNILEDQ-UFBFGSQYSA-N 1 0 299.168 1.393 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC001236281260 944442180 /nfs/dbraw/zinc/44/21/80/944442180.db2.gz AORVBPBRSIAKCD-ZBFHGGJFSA-N 1 0 259.397 1.936 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001236808565 944577288 /nfs/dbraw/zinc/57/72/88/944577288.db2.gz PUWLAGHKNRAKSH-GXTWGEPZSA-N 1 0 269.316 1.614 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1 ZINC001237042762 944642532 /nfs/dbraw/zinc/64/25/32/944642532.db2.gz GXMIYYNLYPKSOW-FZMZJTMJSA-N 1 0 290.363 1.359 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001237044975 944646934 /nfs/dbraw/zinc/64/69/34/944646934.db2.gz GHRNGXSRWGPZKH-AWEZNQCLSA-N 1 0 265.353 1.709 20 10 CDCDRO OCC1C[NH+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237057480 944648793 /nfs/dbraw/zinc/64/87/93/944648793.db2.gz SQCIFRXGLIAKDX-UHFFFAOYSA-N 1 0 291.269 1.757 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(O)c(OC)c1 ZINC001237674760 944920980 /nfs/dbraw/zinc/92/09/80/944920980.db2.gz MNSTZOPNRNJKGT-MNOVXSKESA-N 1 0 281.352 1.612 20 10 CDCDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1O ZINC001238060431 945046319 /nfs/dbraw/zinc/04/63/19/945046319.db2.gz IDJWGDPHCFWFHC-YPMHNXCESA-N 1 0 278.327 1.360 20 10 CDCDRO Cc1cc(-c2nccn2C)c(C2=CCC[NH2+]C2)nn1 ZINC001240657142 945973420 /nfs/dbraw/zinc/97/34/20/945973420.db2.gz UNTXWQNUMXMXAH-UHFFFAOYSA-N 1 0 255.325 1.562 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+]C2Cc3ccccc3C2)cc1O ZINC001255010626 947690589 /nfs/dbraw/zinc/69/05/89/947690589.db2.gz GDOKJGAPBZWCDP-QGZVFWFLSA-N 1 0 285.343 1.888 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CN1 ZINC001246349888 948125226 /nfs/dbraw/zinc/12/52/26/948125226.db2.gz WQVVHQINZYZWCK-KBPBESRZSA-N 1 0 292.379 1.387 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001256015567 948158585 /nfs/dbraw/zinc/15/85/85/948158585.db2.gz BGZFXGIZPZNJDP-LLVKDONJSA-N 1 0 280.324 1.418 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C2)c(O)c1 ZINC001249201036 949455108 /nfs/dbraw/zinc/45/51/08/949455108.db2.gz BTHPANLHINVDQA-AWEZNQCLSA-N 1 0 292.379 1.244 20 10 CDCDRO CCCCOC[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001252527595 951413146 /nfs/dbraw/zinc/41/31/46/951413146.db2.gz BYJZKIJTUFJOSA-CYBMUJFWSA-N 1 0 283.368 1.408 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC001334775357 954274523 /nfs/dbraw/zinc/27/45/23/954274523.db2.gz XPBDCUXKHIBXNO-KGLIPLIRSA-N 1 0 264.394 1.975 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000839170710 955053253 /nfs/dbraw/zinc/05/32/53/955053253.db2.gz OLFSXHLUCVRAAD-WBVHZDCISA-N 1 0 290.407 1.462 20 10 CDCDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774462 959349043 /nfs/dbraw/zinc/34/90/43/959349043.db2.gz ILBJJZCUUUYWQJ-ZBFHGGJFSA-N 1 0 294.395 1.115 20 10 CDCDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2cc(F)ccc2O)c1C ZINC001341943729 963585347 /nfs/dbraw/zinc/58/53/47/963585347.db2.gz FBEASDXUTYPVDO-UHFFFAOYSA-N 1 0 277.299 1.934 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(N)cc1 ZINC001346739995 965234964 /nfs/dbraw/zinc/23/49/64/965234964.db2.gz WROSMNDOYUOTGR-CYBMUJFWSA-N 1 0 262.357 1.162 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@H](C)Cc2c[nH]cn2)c1 ZINC000847590898 967725998 /nfs/dbraw/zinc/72/59/98/967725998.db2.gz KDCCANXXIZICEX-SNVBAGLBSA-N 1 0 289.335 1.619 20 10 CDCDRO CC(C)([NH3+])c1nocc1C(=O)NCCc1ccc(N)cc1 ZINC000848395309 969061737 /nfs/dbraw/zinc/06/17/37/969061737.db2.gz SCYYRNVCUDJRGK-UHFFFAOYSA-N 1 0 288.351 1.423 20 10 CDCDRO Cn1nnc2c1CC[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)C2 ZINC000848563893 969176301 /nfs/dbraw/zinc/17/63/01/969176301.db2.gz YQSYFAFCKARMIU-NEPJUHHUSA-N 1 0 284.363 1.655 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)c1O ZINC000848900023 969342685 /nfs/dbraw/zinc/34/26/85/969342685.db2.gz WZDKYGALTNGOPY-KGLIPLIRSA-N 1 0 276.380 1.959 20 10 CDCDRO CCc1cccc(C[NH2+]C2(CCO)CCN(C)CC2)c1O ZINC000848903323 969344196 /nfs/dbraw/zinc/34/41/96/969344196.db2.gz PQRCEHDHKYNTNA-UHFFFAOYSA-N 1 0 292.423 1.891 20 10 CDCDRO COc1ccc(CNC(=[NH2+])N2CCSCC2)c(O)c1 ZINC000849025136 969414963 /nfs/dbraw/zinc/41/49/63/969414963.db2.gz OUVHBYXUPXSKOB-UHFFFAOYSA-N 1 0 281.381 1.474 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@@]3(C)C2)c1O ZINC001575033087 1171089336 /nfs/dbraw/zinc/08/93/36/1171089336.db2.gz DBJILJIIIINXOE-WBMJQRKESA-N 1 0 292.354 1.775 20 10 CDCDRO CC[C@H](CO)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000295021635 199304495 /nfs/dbraw/zinc/30/44/95/199304495.db2.gz CHNKNFUYOPTJEY-SNVBAGLBSA-N 1 0 253.298 1.324 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC[C@H](C)CCO)cc1OC ZINC000295025876 199306656 /nfs/dbraw/zinc/30/66/56/199306656.db2.gz CRVDFWSOVVBFKM-NSHDSACASA-N 1 0 283.368 1.908 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCCCC2)cc1 ZINC000015376021 348523802 /nfs/dbraw/zinc/52/38/02/348523802.db2.gz BYRYVLZUYQDAOA-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000036795000 356253834 /nfs/dbraw/zinc/25/38/34/356253834.db2.gz KFYBGPJZROMKDV-UWVGGRQHSA-N 1 0 266.341 1.576 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1CO ZINC000191724938 358149951 /nfs/dbraw/zinc/14/99/51/358149951.db2.gz COEXXZIPCLSXQT-KOLCDFICSA-N 1 0 265.309 1.181 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC(C)(C)CO ZINC000294845304 199209691 /nfs/dbraw/zinc/20/96/91/199209691.db2.gz RNPCZOUPLYXUGO-UHFFFAOYSA-N 1 0 267.325 1.571 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CC(C(C)(C)O)C2)c1 ZINC000297356001 200159872 /nfs/dbraw/zinc/15/98/72/200159872.db2.gz GZNDHFWKAILZIO-UHFFFAOYSA-N 1 0 251.326 1.604 20 10 CDCDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226610487 359703749 /nfs/dbraw/zinc/70/37/49/359703749.db2.gz ONUAIZSMICXJPS-UFBFGSQYSA-N 1 0 259.346 1.733 20 10 CDCDRO COCCN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000123014071 360251258 /nfs/dbraw/zinc/25/12/58/360251258.db2.gz WRXRKOYLNCYHDQ-UHFFFAOYSA-N 1 0 280.368 1.165 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1O ZINC000156065966 361710820 /nfs/dbraw/zinc/71/08/20/361710820.db2.gz QCGNLESAVYTDRH-GFCCVEGCSA-N 1 0 291.351 1.000 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(O)(COC)CC2)c1 ZINC000271207211 364975768 /nfs/dbraw/zinc/97/57/68/364975768.db2.gz WQBNANZGASNNCD-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO Cc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c(O)c1O ZINC000272756448 365383162 /nfs/dbraw/zinc/38/31/62/365383162.db2.gz KRYNQVTYSFWVHG-UHFFFAOYSA-N 1 0 292.379 1.963 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCS(C)(=O)=O)c(O)c1C ZINC000273603186 365511393 /nfs/dbraw/zinc/51/13/93/365511393.db2.gz SNCPPWXHIGGMRI-LLVKDONJSA-N 1 0 271.382 1.704 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000273689854 365517932 /nfs/dbraw/zinc/51/79/32/365517932.db2.gz BFHNILCTSUDXHF-CQSZACIVSA-N 1 0 289.379 1.737 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000273467204 365499449 /nfs/dbraw/zinc/49/94/49/365499449.db2.gz FAVLWSRJDZVKBW-NHYWBVRUSA-N 1 0 275.352 1.818 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000281249102 367613981 /nfs/dbraw/zinc/61/39/81/367613981.db2.gz WZPQYAXEYIWWTM-INIZCTEOSA-N 1 0 293.386 1.850 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccccc1O ZINC000271700374 371079151 /nfs/dbraw/zinc/07/91/51/371079151.db2.gz TXLABNAOQOSRHI-QMMMGPOBSA-N 1 0 258.268 1.424 20 10 CDCDRO CC[C@@H]([NH2+]CCCC(=O)NC)c1ccccc1O ZINC000274939969 371197696 /nfs/dbraw/zinc/19/76/96/371197696.db2.gz SRJYAVRBBDLKKV-GFCCVEGCSA-N 1 0 250.342 1.959 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCN(C)C(=O)C2)c1O ZINC000191668858 373509114 /nfs/dbraw/zinc/50/91/14/373509114.db2.gz ISRNWVWJGSVQBU-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO COc1ccc(N2CCN(c3nc(N)cc(C)[nH+]3)CC2)cc1 ZINC000074934106 390662340 /nfs/dbraw/zinc/66/23/40/390662340.db2.gz WWRSSRARYYRUCR-UHFFFAOYSA-N 1 0 299.378 1.702 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000121488859 390887510 /nfs/dbraw/zinc/88/75/10/390887510.db2.gz OPTUCJWAOWWUFE-ZDUSSCGKSA-N 1 0 290.363 1.644 20 10 CDCDRO CCOc1ccc(O)c(CN2CCNC(=O)[C@@H]2C(C)C)c1 ZINC000093055432 390899315 /nfs/dbraw/zinc/89/93/15/390899315.db2.gz DQGWWEGEEFZQKY-HNNXBMFYSA-N 1 0 292.379 1.747 20 10 CDCDRO O=C(c1cccc(O)c1O)N1CC[NH+]2CCC1CC2 ZINC000373729342 391129501 /nfs/dbraw/zinc/12/95/01/391129501.db2.gz RDYYLOFJBJZNRS-UHFFFAOYSA-N 1 0 262.309 1.018 20 10 CDCDRO Cc1cccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000362048111 397668445 /nfs/dbraw/zinc/66/84/45/397668445.db2.gz VLTYXBHZVDDIRU-CVEARBPZSA-N 1 0 290.407 1.732 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038083266 174092723 /nfs/dbraw/zinc/09/27/23/174092723.db2.gz RCJRJCPSWZXEIY-VXGBXAGGSA-N 1 0 283.393 1.786 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000071407139 176156118 /nfs/dbraw/zinc/15/61/18/176156118.db2.gz RQQBPMNOLWCFCR-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO CC[C@H]([NH2+]CC1(CO)COC1)c1ccc(N(C)C)cc1 ZINC000090643147 260464215 /nfs/dbraw/zinc/46/42/15/260464215.db2.gz LZMVVAWTPOEIMW-HNNXBMFYSA-N 1 0 278.396 1.802 20 10 CDCDRO C[C@@H]([NH2+]CCOCCO)c1ccc(N2CCOCC2)cc1 ZINC000159089007 261177789 /nfs/dbraw/zinc/17/77/89/261177789.db2.gz AUYNLSNMKPDZTE-CQSZACIVSA-N 1 0 294.395 1.183 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C[S@@](C)=O)cc1C ZINC000168211051 261411665 /nfs/dbraw/zinc/41/16/65/261411665.db2.gz QFJPEUAHOYCPTI-DIFFPNOSSA-N 1 0 255.383 1.860 20 10 CDCDRO CS(=O)(=O)CCCCC[NH2+]Cc1ccccc1O ZINC000185213114 262045904 /nfs/dbraw/zinc/04/59/04/262045904.db2.gz LJDMNBPOEBFKIU-UHFFFAOYSA-N 1 0 271.382 1.697 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O ZINC000186089422 262078835 /nfs/dbraw/zinc/07/88/35/262078835.db2.gz VKHHEXYKRRDSKY-ONGXEEELSA-N 1 0 278.327 1.945 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000186475264 262094484 /nfs/dbraw/zinc/09/44/84/262094484.db2.gz JTCGLAMBAIVJHQ-LBPRGKRZSA-N 1 0 294.351 1.721 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000219840268 262350571 /nfs/dbraw/zinc/35/05/71/262350571.db2.gz GETLJVGDKALHKB-VIFPVBQESA-N 1 0 270.760 1.860 20 10 CDCDRO Cc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)c(O)c1O ZINC000273042774 263011640 /nfs/dbraw/zinc/01/16/40/263011640.db2.gz VQVVRINCTXDUMR-UHFFFAOYSA-N 1 0 276.336 1.398 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368443842 267172481 /nfs/dbraw/zinc/17/24/81/267172481.db2.gz WEHWTLSNYGKXJT-NSHDSACASA-N 1 0 263.337 1.869 20 10 CDCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC000377274166 268062987 /nfs/dbraw/zinc/06/29/87/268062987.db2.gz WMDXVXKXJLEZRS-IAQYHMDHSA-N 1 0 281.327 1.911 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296880390 280001228 /nfs/dbraw/zinc/00/12/28/280001228.db2.gz OEJBZQZOXAAAQO-ZYHUDNBSSA-N 1 0 283.393 1.792 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000279675429 328233242 /nfs/dbraw/zinc/23/32/42/328233242.db2.gz IHTBJAFRZZWQBF-UHFFFAOYSA-N 1 0 269.366 1.449 20 10 CDCDRO COC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072952762 482452581 /nfs/dbraw/zinc/45/25/81/482452581.db2.gz ZNDJHEPVZMZRKK-CYBMUJFWSA-N 1 0 279.336 1.546 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955503 1160688904 /nfs/dbraw/zinc/68/89/04/1160688904.db2.gz FGBLNSCHKYZUJE-CQSZACIVSA-N 1 0 276.384 1.205 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2COC[C@@H]2OC)c(O)c1 ZINC000289777277 520375152 /nfs/dbraw/zinc/37/51/52/520375152.db2.gz KGQJWGCXJPYXGW-ZFWWWQNUSA-N 1 0 281.352 1.684 20 10 CDCDRO C[NH2+]CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000049844446 521979874 /nfs/dbraw/zinc/97/98/74/521979874.db2.gz LWHRLXZTXOEQGA-UHFFFAOYSA-N 1 0 291.395 1.091 20 10 CDCDRO C[NH2+]CCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000237128786 521986728 /nfs/dbraw/zinc/98/67/28/521986728.db2.gz YYOVWESOJGGLNH-UHFFFAOYSA-N 1 0 277.368 1.478 20 10 CDCDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000237107078 522009988 /nfs/dbraw/zinc/00/99/88/522009988.db2.gz WPTKIZWJSBFADK-UHFFFAOYSA-N 1 0 272.352 1.438 20 10 CDCDRO COC[C@@H](C)OC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000278349053 522261272 /nfs/dbraw/zinc/26/12/72/522261272.db2.gz MMYYSWUWWYNZIX-TZMCWYRMSA-N 1 0 283.368 1.236 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000071267958 522805464 /nfs/dbraw/zinc/80/54/64/522805464.db2.gz CQSPSABOYXBIHX-BXUZGUMPSA-N 1 0 252.358 1.411 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(C)cc1O ZINC000280302039 522922868 /nfs/dbraw/zinc/92/28/68/522922868.db2.gz ZYHBAZSQXBRYFN-DGCLKSJQSA-N 1 0 262.353 1.972 20 10 CDCDRO COCCOCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000044424179 524010288 /nfs/dbraw/zinc/01/02/88/524010288.db2.gz LKTIRVDFLXEFEN-UHFFFAOYSA-N 1 0 253.342 1.756 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1O ZINC000274954308 524408068 /nfs/dbraw/zinc/40/80/68/524408068.db2.gz SSCCSXXTWUAJQU-UHFFFAOYSA-N 1 0 271.320 1.342 20 10 CDCDRO C[C@H](O)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000130741356 525740037 /nfs/dbraw/zinc/74/00/37/525740037.db2.gz YFOAAAKZEXGATA-QMMMGPOBSA-N 1 0 274.158 1.967 20 10 CDCDRO O=C(c1cccc(O)c1O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187117552 526772569 /nfs/dbraw/zinc/77/25/69/526772569.db2.gz WBXLLJAOWLMLJW-GFCCVEGCSA-N 1 0 290.363 1.656 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000280443725 527579348 /nfs/dbraw/zinc/57/93/48/527579348.db2.gz CUYBVYUFPQLSBZ-ZYHUDNBSSA-N 1 0 269.316 1.266 20 10 CDCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000732279225 575086324 /nfs/dbraw/zinc/08/63/24/575086324.db2.gz LTLCKNYHYSSXCB-JTQLQIEISA-N 1 0 268.382 1.915 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COCCO2)cc1F ZINC000733324929 575114545 /nfs/dbraw/zinc/11/45/45/575114545.db2.gz LNNMWMDDONBQCV-LBPRGKRZSA-N 1 0 268.332 1.397 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(O)cccc1OC ZINC000769566773 575360897 /nfs/dbraw/zinc/36/08/97/575360897.db2.gz HRXKWZCONPCYNH-JTQLQIEISA-N 1 0 266.341 1.215 20 10 CDCDRO CCOCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000771641410 575599792 /nfs/dbraw/zinc/59/97/92/575599792.db2.gz LFTJCPARKPDKEQ-CYBMUJFWSA-N 1 0 267.325 1.286 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC000771929221 575638086 /nfs/dbraw/zinc/63/80/86/575638086.db2.gz VDFBZPFIZPOULA-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO COCC1([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000765272709 576003660 /nfs/dbraw/zinc/00/36/60/576003660.db2.gz UBKZARNVHDHSKN-UHFFFAOYSA-N 1 0 251.282 1.390 20 10 CDCDRO C[C@H]1[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCOC1(C)C ZINC000768461579 576286445 /nfs/dbraw/zinc/28/64/45/576286445.db2.gz DLQWQKNNZGTNQH-QMTHXVAHSA-N 1 0 293.363 1.817 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000768533222 576294474 /nfs/dbraw/zinc/29/44/74/576294474.db2.gz JEDOHCLQWXBXKT-CQSZACIVSA-N 1 0 283.299 1.343 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000768946142 576318914 /nfs/dbraw/zinc/31/89/14/576318914.db2.gz RIJJWBOBRSYJGQ-UHFFFAOYSA-N 1 0 283.391 1.296 20 10 CDCDRO CC(C)(CO)[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000769446750 576354249 /nfs/dbraw/zinc/35/42/49/576354249.db2.gz UQENZHHKYVFCBY-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000761222164 576561318 /nfs/dbraw/zinc/56/13/18/576561318.db2.gz IMCWPUUSELAHHU-JSGCOSHPSA-N 1 0 269.316 1.815 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000742375139 576598315 /nfs/dbraw/zinc/59/83/15/576598315.db2.gz IUTVJDCZHJEHRM-OAHLLOKOSA-N 1 0 277.320 1.991 20 10 CDCDRO C[C@@H]1CCN(CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000744450207 576681200 /nfs/dbraw/zinc/68/12/00/576681200.db2.gz OVHXWTZFQJXMPQ-LLVKDONJSA-N 1 0 278.352 1.552 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000754084831 576878676 /nfs/dbraw/zinc/87/86/76/576878676.db2.gz CWBOXJBUNSQLTH-JTQLQIEISA-N 1 0 287.381 1.314 20 10 CDCDRO CC1CC[NH+](CCNC(=O)NCc2ccccc2O)CC1 ZINC000748458663 576913659 /nfs/dbraw/zinc/91/36/59/576913659.db2.gz AGXQPEHEUUSUEJ-UHFFFAOYSA-N 1 0 291.395 1.923 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000758613420 577121984 /nfs/dbraw/zinc/12/19/84/577121984.db2.gz AYMQGTCCPQMPED-SNVBAGLBSA-N 1 0 275.295 1.897 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891564954 617479772 /nfs/dbraw/zinc/47/97/72/617479772.db2.gz NOADHEBTGFAXST-TZMCWYRMSA-N 1 0 290.411 1.692 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[NH2+]C ZINC000043605017 617574430 /nfs/dbraw/zinc/57/44/30/617574430.db2.gz QXXXIRKVEOTFSQ-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)OC)c(O)c1OC ZINC000893087195 618145933 /nfs/dbraw/zinc/14/59/33/618145933.db2.gz YOHVMJBNMOAISR-UHFFFAOYSA-N 1 0 269.341 1.924 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CC[C@H](C)O)c1O ZINC000894034657 618251848 /nfs/dbraw/zinc/25/18/48/618251848.db2.gz UDAZHJHTPJTQRF-NSHDSACASA-N 1 0 253.342 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CCO)C2CC2)c1O ZINC000894295716 618521216 /nfs/dbraw/zinc/52/12/16/618521216.db2.gz JEXABEVKRLODMD-CYBMUJFWSA-N 1 0 265.353 1.960 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894368731 618825991 /nfs/dbraw/zinc/82/59/91/618825991.db2.gz OHEGRJHTEVHSTO-LBPRGKRZSA-N 1 0 269.341 1.196 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC[C@@H](C)[S@](C)=O)c1O ZINC000894409696 618868399 /nfs/dbraw/zinc/86/83/99/618868399.db2.gz DSLQQCPTXQSQPR-WYRIXSBYSA-N 1 0 285.409 1.956 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894936093 619154734 /nfs/dbraw/zinc/15/47/34/619154734.db2.gz VXXJMXAYNHCSHP-TZMCWYRMSA-N 1 0 281.352 1.603 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1C ZINC000895327877 619565042 /nfs/dbraw/zinc/56/50/42/619565042.db2.gz DZTUFHNHOVGCQR-UKRRQHHQSA-N 1 0 265.353 1.327 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c(O)c1 ZINC000895329871 619575183 /nfs/dbraw/zinc/57/51/83/619575183.db2.gz KGJHJXTUHJSXBG-DOMZBBRYSA-N 1 0 281.352 1.109 20 10 CDCDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(N)cc1 ZINC000841299882 619712495 /nfs/dbraw/zinc/71/24/95/619712495.db2.gz LFQYGRPVEMITKH-UHFFFAOYSA-N 1 0 280.372 1.359 20 10 CDCDRO Cn1nccc1[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000897562906 620997568 /nfs/dbraw/zinc/99/75/68/620997568.db2.gz HWMQYAPMJUMZRZ-HNNXBMFYSA-N 1 0 291.326 1.838 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841761242 621018305 /nfs/dbraw/zinc/01/83/05/621018305.db2.gz OEKSGCNGBNNXAR-VIFPVBQESA-N 1 0 268.336 1.038 20 10 CDCDRO C[C@H](CC[NH3+])[NH2+]Cc1cccc(Br)c1[O-] ZINC000841051040 621597895 /nfs/dbraw/zinc/59/78/95/621597895.db2.gz MWOVRYPHJNBPIT-MRVPVSSYSA-N 1 0 273.174 1.982 20 10 CDCDRO CC(C)[NH2+]Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000905795954 626978392 /nfs/dbraw/zinc/97/83/92/626978392.db2.gz IDYRIZJLJNXURO-UHFFFAOYSA-N 1 0 273.384 1.890 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000044351305 630254880 /nfs/dbraw/zinc/25/48/80/630254880.db2.gz YVJDIYPFJPPNRX-UHFFFAOYSA-N 1 0 262.353 1.627 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCNC(=O)[C@@H]2C)c1O ZINC000788045597 631815293 /nfs/dbraw/zinc/81/52/93/631815293.db2.gz CVZDQXPEGFJQQG-NSHDSACASA-N 1 0 278.352 1.420 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[NH2+]C3CC3)ccc21 ZINC000154639834 632327364 /nfs/dbraw/zinc/32/73/64/632327364.db2.gz XQGWAGCZLVARDE-UHFFFAOYSA-N 1 0 273.380 1.437 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921749489 633264408 /nfs/dbraw/zinc/26/44/08/633264408.db2.gz KTCVHUQRJQPZAA-INIZCTEOSA-N 1 0 279.380 1.889 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H](C)CC[NH+](C)C)c(O)c1 ZINC000792946622 1162381413 /nfs/dbraw/zinc/38/14/13/1162381413.db2.gz RYHMOOUIOTZBOP-LLVKDONJSA-N 1 0 295.383 1.540 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000793363703 1162415146 /nfs/dbraw/zinc/41/51/46/1162415146.db2.gz VELOZZLILZEFFW-MLGOLLRUSA-N 1 0 293.363 1.781 20 10 CDCDRO CC(C)([NH2+]Cc1ccccc1O)C(=O)N1CCCC1 ZINC000793395893 1162418179 /nfs/dbraw/zinc/41/81/79/1162418179.db2.gz NRKDXEWJKBOPAD-UHFFFAOYSA-N 1 0 262.353 1.883 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000808437286 1162851500 /nfs/dbraw/zinc/85/15/00/1162851500.db2.gz KUVPGGNYBPKDQY-ZDUSSCGKSA-N 1 0 296.436 1.961 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C1CC1 ZINC000809751137 1163084205 /nfs/dbraw/zinc/08/42/05/1163084205.db2.gz CPQBZRDZQOKXKU-QGZVFWFLSA-N 1 0 290.407 1.726 20 10 CDCDRO CC[C@H](O)C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819381208 1164200424 /nfs/dbraw/zinc/20/04/24/1164200424.db2.gz VSVPJUBIKMBJIG-HIFRSBDPSA-N 1 0 278.396 1.882 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(F)ccc1O ZINC000872140850 1165383442 /nfs/dbraw/zinc/38/34/42/1165383442.db2.gz AVJIAQPCSSBWSX-XTWCZFFVSA-N 1 0 255.289 1.332 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)O)cc1Cn1cccn1 ZINC000873048542 1165506576 /nfs/dbraw/zinc/50/65/76/1165506576.db2.gz DEUCDFKDKUATPB-UHFFFAOYSA-N 1 0 289.379 1.801 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1C ZINC000873147558 1165515555 /nfs/dbraw/zinc/51/55/55/1165515555.db2.gz WUUKSZBRMPAAFG-KGLIPLIRSA-N 1 0 265.353 1.633 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1F ZINC000874250781 1165616376 /nfs/dbraw/zinc/61/63/76/1165616376.db2.gz ZMMZCNMUCNLUSH-UHFFFAOYSA-N 1 0 279.359 1.604 20 10 CDCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876796050 1165917469 /nfs/dbraw/zinc/91/74/69/1165917469.db2.gz XAMGLULNWLFKQP-CQSZACIVSA-N 1 0 267.300 1.788 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCNC(=O)C(C)C ZINC000876892462 1165934552 /nfs/dbraw/zinc/93/45/52/1165934552.db2.gz PIDWJOCZAICMRC-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1C ZINC000826076680 1166258400 /nfs/dbraw/zinc/25/84/00/1166258400.db2.gz IZXRSAKATKTNOO-IUCAKERBSA-N 1 0 282.315 1.449 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCNC2=O)c1 ZINC000886745269 1166538964 /nfs/dbraw/zinc/53/89/64/1166538964.db2.gz SJDCAIFCXHEINN-LLVKDONJSA-N 1 0 263.341 1.376 20 10 CDCDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001578598775 1171961228 /nfs/dbraw/zinc/96/12/28/1171961228.db2.gz WAAINXJNLDWFSM-GFCCVEGCSA-N 1 0 289.339 1.673 20 10 CDCDRO COc1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c1 ZINC000141911440 1177828928 /nfs/dbraw/zinc/82/89/28/1177828928.db2.gz IHYSSZPWEZQUHR-TXEJJXNPSA-N 1 0 264.369 1.925 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c1 ZINC001206655777 1167179281 /nfs/dbraw/zinc/17/92/81/1167179281.db2.gz IRYURKUHROTIFW-GFCCVEGCSA-N 1 0 272.295 1.569 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001236030354 914597141 /nfs/dbraw/zinc/59/71/41/914597141.db2.gz WLLLTXZMIXYIKB-JQWIXIFHSA-N 1 0 272.270 1.944 20 10 CDCDRO COc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c(O)c1 ZINC000093051905 905253256 /nfs/dbraw/zinc/25/32/56/905253256.db2.gz JQBWNSAJDAGFLC-UHFFFAOYSA-N 1 0 279.340 1.034 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc1O ZINC001172217973 911453107 /nfs/dbraw/zinc/45/31/07/911453107.db2.gz UJYVITYVOMMLRN-UKAJUAJCSA-N 1 0 279.336 1.431 20 10 CDCDRO C[C@@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)[NH+](C)C ZINC001180861672 916674403 /nfs/dbraw/zinc/67/44/03/916674403.db2.gz KYIWMFYGSPPDOA-JTQLQIEISA-N 1 0 278.352 1.323 20 10 CDCDRO COc1cc(C)c(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c1 ZINC001206447955 916998460 /nfs/dbraw/zinc/99/84/60/916998460.db2.gz YWTKDHRKINFDGI-MNOVXSKESA-N 1 0 268.332 1.580 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237677293 917542812 /nfs/dbraw/zinc/54/28/12/917542812.db2.gz ZHLXBWNAGSQWKE-SNVBAGLBSA-N 1 0 267.325 1.224 20 10 CDCDRO CN1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCN4C)C[C@@H]2C1=O ZINC001138357368 936526106 /nfs/dbraw/zinc/52/61/06/936526106.db2.gz RHCZYOBAMXZTEB-CVEARBPZSA-N 1 0 299.418 1.589 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1O ZINC001140056286 936674444 /nfs/dbraw/zinc/67/44/44/936674444.db2.gz PMZSTGLSHOBKAY-STQMWFEESA-N 1 0 250.317 1.810 20 10 CDCDRO CC[N@@H+](Cc1ccccc1O)CC1C(=O)N=CNC1=O ZINC001140473224 936713619 /nfs/dbraw/zinc/71/36/19/936713619.db2.gz RJYCWSKKYIEOJN-UHFFFAOYSA-N 1 0 275.308 1.616 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140746049 936748940 /nfs/dbraw/zinc/74/89/40/936748940.db2.gz UANFCFNNUJIEOD-UHFFFAOYSA-N 1 0 265.309 1.401 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001140742472 936747962 /nfs/dbraw/zinc/74/79/62/936747962.db2.gz PLEICSYOAADDQH-ZYHUDNBSSA-N 1 0 255.289 1.311 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140742659 936748691 /nfs/dbraw/zinc/74/86/91/936748691.db2.gz UEAAPVJFKHCEOC-UHFFFAOYSA-N 1 0 278.352 1.364 20 10 CDCDRO Cc1cc(Cl)cc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c1O ZINC001204843731 939797358 /nfs/dbraw/zinc/79/73/58/939797358.db2.gz USQIJRXDAINUJY-MNOVXSKESA-N 1 0 258.724 1.835 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c(O)c1 ZINC001140948227 936782470 /nfs/dbraw/zinc/78/24/70/936782470.db2.gz YWQWGYUSVHANIT-UONOGXRCSA-N 1 0 253.317 1.995 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CO)c(OC)c1 ZINC001141031286 936795243 /nfs/dbraw/zinc/79/52/43/936795243.db2.gz BKZROXULDSMBNG-NSHDSACASA-N 1 0 281.352 1.756 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(OC)c1 ZINC001141031353 936795285 /nfs/dbraw/zinc/79/52/85/936795285.db2.gz DJBQTEUNKJNIIE-QWHCGFSZSA-N 1 0 299.342 1.704 20 10 CDCDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc(N2CCCC2)cc1 ZINC000228723956 936910772 /nfs/dbraw/zinc/91/07/72/936910772.db2.gz CSBMYFRPYHMPSS-KRWDZBQOSA-N 1 0 291.439 1.689 20 10 CDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843065112 937109346 /nfs/dbraw/zinc/10/93/46/937109346.db2.gz IZKYQFLHLLKOKA-QGZVFWFLSA-N 1 0 292.423 1.756 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691454345 937217266 /nfs/dbraw/zinc/21/72/66/937217266.db2.gz JYDNXJPHFAMQBV-UHFFFAOYSA-N 1 0 287.157 1.380 20 10 CDCDRO COc1cccc(CN2CC3(C2)CC[N@H+](C)C3)c1O ZINC001275273206 931721126 /nfs/dbraw/zinc/72/11/26/931721126.db2.gz JGEHXRBYLIUKSD-UHFFFAOYSA-N 1 0 262.353 1.538 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(O)c1 ZINC001144499409 931859082 /nfs/dbraw/zinc/85/90/82/931859082.db2.gz GEGCSTWABJKNHW-AWEZNQCLSA-N 1 0 285.315 1.490 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001144520182 931872198 /nfs/dbraw/zinc/87/21/98/931872198.db2.gz JWARLFDUJNJBJI-GFCCVEGCSA-N 1 0 287.319 1.931 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC(CF)CC2)c(O)c1 ZINC001144509178 931874941 /nfs/dbraw/zinc/87/49/41/931874941.db2.gz NYYHTIOAJOCQMN-UHFFFAOYSA-N 1 0 255.289 1.985 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514580 931877955 /nfs/dbraw/zinc/87/79/55/931877955.db2.gz LFHRCOWPWUZSAV-SECBINFHSA-N 1 0 281.308 1.188 20 10 CDCDRO CN1CCO[C@]2(CCC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001275949863 932162252 /nfs/dbraw/zinc/16/22/52/932162252.db2.gz MCAJWQPEZYNYOT-MRXNPFEDSA-N 1 0 292.379 1.394 20 10 CDCDRO Cc1cccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c1O ZINC001276080573 932495547 /nfs/dbraw/zinc/49/55/47/932495547.db2.gz QSFRVWHRAZFVRN-QGZVFWFLSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC3(CN(C)C3)C2)c(O)cc1O ZINC001276090872 932514907 /nfs/dbraw/zinc/51/49/07/932514907.db2.gz HAGAIUKHFOWQIN-UHFFFAOYSA-N 1 0 292.379 1.634 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCn2cncn2)c1 ZINC000381743609 935748946 /nfs/dbraw/zinc/74/89/46/935748946.db2.gz ZVMIRJJANIUWBV-UHFFFAOYSA-N 1 0 262.313 1.172 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CC[NH2+]1 ZINC001120630642 937819633 /nfs/dbraw/zinc/81/96/33/937819633.db2.gz CCBLTFIQGNYQCG-GXFFZTMASA-N 1 0 262.357 1.209 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001120677165 937824908 /nfs/dbraw/zinc/82/49/08/937824908.db2.gz LWYRPZSGNMXFPC-HNNXBMFYSA-N 1 0 274.368 1.164 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cc1 ZINC001158578515 938639299 /nfs/dbraw/zinc/63/92/99/938639299.db2.gz LQDLKADDMLPSHF-OCCSQVGLSA-N 1 0 291.370 1.347 20 10 CDCDRO Cc1cnc(NCC(=O)c2ccc(O)c(O)c2)c(C[NH3+])c1 ZINC001159279228 938717528 /nfs/dbraw/zinc/71/75/28/938717528.db2.gz NBJQRUQFTGKPEX-UHFFFAOYSA-N 1 0 287.319 1.555 20 10 CDCDRO COc1cccc(C[N@H+](C)CCC2OCCO2)c1O ZINC001203596426 939694707 /nfs/dbraw/zinc/69/47/07/939694707.db2.gz BODUGAGQYKTWDS-UHFFFAOYSA-N 1 0 267.325 1.596 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c1O ZINC001203599180 939695236 /nfs/dbraw/zinc/69/52/36/939695236.db2.gz BPGZBVJTSVMCSF-TZMCWYRMSA-N 1 0 276.380 1.927 20 10 CDCDRO C[NH+](C)C1CN(Cc2cc(Br)ccc2O)C1 ZINC001203636236 939698840 /nfs/dbraw/zinc/69/88/40/939698840.db2.gz QVKKIBHUOVJFHC-UHFFFAOYSA-N 1 0 285.185 1.901 20 10 CDCDRO C[C@]1(O)COCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203650793 939699783 /nfs/dbraw/zinc/69/97/83/939699783.db2.gz CFIMDDLAUNUYDU-CYBMUJFWSA-N 1 0 271.744 1.629 20 10 CDCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880706 939710926 /nfs/dbraw/zinc/71/09/26/939710926.db2.gz WQQQLPOFWOUSPI-LLVKDONJSA-N 1 0 279.336 1.873 20 10 CDCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(O)c(O)c2)C1 ZINC001203881716 939711413 /nfs/dbraw/zinc/71/14/13/939711413.db2.gz UFBMABKBWQKWKT-CYBMUJFWSA-N 1 0 278.352 1.541 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1O ZINC001203881013 939711564 /nfs/dbraw/zinc/71/15/64/939711564.db2.gz CXFZVBFHATUTBE-LBPRGKRZSA-N 1 0 274.324 1.526 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001203881432 939711707 /nfs/dbraw/zinc/71/17/07/939711707.db2.gz PYBMEVZZGLMHOM-OLZOCXBDSA-N 1 0 262.353 1.624 20 10 CDCDRO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3ccc(O)cc3O)[C@H]2C1 ZINC001204276063 939749754 /nfs/dbraw/zinc/74/97/54/939749754.db2.gz FHUFOKPRKVDTND-XEGUGMAKSA-N 1 0 279.336 1.070 20 10 CDCDRO Oc1ccc(CN2CC[NH+](C3CCOCC3)CC2)c(O)c1 ZINC001204274673 939750157 /nfs/dbraw/zinc/75/01/57/939750157.db2.gz FNNGCHYRWIQSPE-UHFFFAOYSA-N 1 0 292.379 1.394 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@]1(C)O ZINC001204276540 939750738 /nfs/dbraw/zinc/75/07/38/939750738.db2.gz MMIXXIWHJZEIBC-YGRLFVJLSA-N 1 0 251.326 1.691 20 10 CDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCS1 ZINC001204277933 939751078 /nfs/dbraw/zinc/75/10/78/939751078.db2.gz PTBPKNSGUQSNBE-CYBMUJFWSA-N 1 0 297.376 1.578 20 10 CDCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277804 939751405 /nfs/dbraw/zinc/75/14/05/939751405.db2.gz APHYXDWFAGMKTF-LLVKDONJSA-N 1 0 279.336 1.873 20 10 CDCDRO Cc1noc([C@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)n1 ZINC001204280670 939752335 /nfs/dbraw/zinc/75/23/35/939752335.db2.gz LWMGFAGONZRQFY-NSHDSACASA-N 1 0 275.308 1.779 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)cc(O)c1O ZINC001204343430 939756980 /nfs/dbraw/zinc/75/69/80/939756980.db2.gz QCOCOXUKWIAQEX-MEBBXXQBSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(O)c1O ZINC001204346170 939758483 /nfs/dbraw/zinc/75/84/83/939758483.db2.gz MAVJVKYZCUYNNW-TXEJJXNPSA-N 1 0 278.352 1.100 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)c(OC)c1 ZINC001204351426 939760031 /nfs/dbraw/zinc/76/00/31/939760031.db2.gz RBDSSRLOFDQMJO-RYUDHWBXSA-N 1 0 278.352 1.385 20 10 CDCDRO [NH3+][C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001205117940 939824680 /nfs/dbraw/zinc/82/46/80/939824680.db2.gz ZHVXGVNGQQSOND-SNVBAGLBSA-N 1 0 256.296 1.984 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc(O)c(O)c(O)c2)C1 ZINC001205838183 939943831 /nfs/dbraw/zinc/94/38/31/939943831.db2.gz BBPFQXZCNZKTLU-ONGXEEELSA-N 1 0 266.341 1.363 20 10 CDCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2ccc(O)c(O)c2)C1 ZINC001206343590 940022981 /nfs/dbraw/zinc/02/29/81/940022981.db2.gz HBVYVBGIXDSJLJ-AWEZNQCLSA-N 1 0 268.332 1.751 20 10 CDCDRO FC1(F)CNC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218235258 941048222 /nfs/dbraw/zinc/04/82/22/941048222.db2.gz ALZXZWZYQUJQPM-CYBMUJFWSA-N 1 0 283.322 1.082 20 10 CDCDRO COc1ccc(N2CC3(C2)CC[N@H+](CCN(C)C)C3)cc1 ZINC001276926451 941702681 /nfs/dbraw/zinc/70/26/81/941702681.db2.gz DMEZBIKBJRZKQP-UHFFFAOYSA-N 1 0 289.423 1.769 20 10 CDCDRO C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)CC1CC[NH+](C)CC1 ZINC001231563311 942927582 /nfs/dbraw/zinc/92/75/82/942927582.db2.gz HLOABARWNYGQDT-UHFFFAOYSA-N 1 0 292.379 1.864 20 10 CDCDRO Cc1cccc(C[N@H+]2CCc3nncn3CC2)c1O ZINC001231592457 942938781 /nfs/dbraw/zinc/93/87/81/942938781.db2.gz RHRRYBRZACCFJZ-UHFFFAOYSA-N 1 0 258.325 1.350 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231595508 942940621 /nfs/dbraw/zinc/94/06/21/942940621.db2.gz XQLAFMFTMKQBIM-ZDUSSCGKSA-N 1 0 279.336 1.465 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(O)cc1O ZINC001231634651 942949852 /nfs/dbraw/zinc/94/98/52/942949852.db2.gz QDFARFOKIOYALW-HNNXBMFYSA-N 1 0 299.342 1.793 20 10 CDCDRO COc1cc(CN2CCC[C@H]2C[NH+](C)C)c(O)cc1O ZINC001231636663 942951660 /nfs/dbraw/zinc/95/16/60/942951660.db2.gz ZVYKHEXTGORNNP-LBPRGKRZSA-N 1 0 280.368 1.632 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c(O)c1 ZINC001277569107 943020608 /nfs/dbraw/zinc/02/06/08/943020608.db2.gz VUEFJTOYBFJPMM-CZUORRHYSA-N 1 0 274.364 1.611 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001231841398 943023772 /nfs/dbraw/zinc/02/37/72/943023772.db2.gz ARGCSHFYXHRTCW-SWLSCSKDSA-N 1 0 265.353 1.184 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1C ZINC001232266221 943195105 /nfs/dbraw/zinc/19/51/05/943195105.db2.gz RTALVJWZLPCGKT-WPRPVWTQSA-N 1 0 299.754 1.992 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232838725 943415723 /nfs/dbraw/zinc/41/57/23/943415723.db2.gz CMQSQVFVQLYQRC-AWEZNQCLSA-N 1 0 292.379 1.986 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001232841094 943417601 /nfs/dbraw/zinc/41/76/01/943417601.db2.gz SEOWYNADXMRAOU-KBPBESRZSA-N 1 0 261.369 1.347 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@]3(CCCO3)C2)cc1O ZINC001233483217 943592630 /nfs/dbraw/zinc/59/26/30/943592630.db2.gz RAKRCHUGPKRXII-CQSZACIVSA-N 1 0 265.309 1.558 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233486895 943595179 /nfs/dbraw/zinc/59/51/79/943595179.db2.gz HJNSFQJMEMVNGV-ZYHUDNBSSA-N 1 0 278.352 1.329 20 10 CDCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)O1 ZINC001233487057 943595787 /nfs/dbraw/zinc/59/57/87/943595787.db2.gz NTJFIQFNLOQPEY-HNNXBMFYSA-N 1 0 293.319 1.475 20 10 CDCDRO CN1CCOc2cc(CN3CC[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001235154538 944072628 /nfs/dbraw/zinc/07/26/28/944072628.db2.gz GFJVDJYYNVVHKW-XJKSGUPXSA-N 1 0 273.380 1.438 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)cc(C)c1O ZINC001236202594 944430553 /nfs/dbraw/zinc/43/05/53/944430553.db2.gz UXCXVZHVSZQLJK-NEPJUHHUSA-N 1 0 298.770 1.429 20 10 CDCDRO Oc1cc(C(F)(F)F)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236291312 944449910 /nfs/dbraw/zinc/44/99/10/944449910.db2.gz LKFZUUMQQDHBNW-MWLCHTKSSA-N 1 0 272.270 1.815 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236293594 944452667 /nfs/dbraw/zinc/45/26/67/944452667.db2.gz YSPTYNOITXUTCR-HIFRSBDPSA-N 1 0 275.396 1.642 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001236808007 944576521 /nfs/dbraw/zinc/57/65/21/944576521.db2.gz KOVJDVVKTCSDSM-HNNXBMFYSA-N 1 0 281.352 1.292 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c(O)c1 ZINC001237043885 944643862 /nfs/dbraw/zinc/64/38/62/944643862.db2.gz KHEXOKZJQPPAOD-UHFFFAOYSA-N 1 0 293.367 1.424 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC001237046970 944646350 /nfs/dbraw/zinc/64/63/50/944646350.db2.gz XXWMLXUKFZMSQT-UHFFFAOYSA-N 1 0 262.353 1.838 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001237483907 944811739 /nfs/dbraw/zinc/81/17/39/944811739.db2.gz UWJXOADVDDERBW-UHFFFAOYSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1ccc(N2CCN(Cc3c[nH]ccc3=O)CC2)cc1 ZINC001237839893 944974993 /nfs/dbraw/zinc/97/49/93/944974993.db2.gz BSFYVCIYRLHFOP-UHFFFAOYSA-N 1 0 299.374 1.706 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCC(=O)N(C)CC2)c1O ZINC001238061815 945043685 /nfs/dbraw/zinc/04/36/85/945043685.db2.gz IYRAKGARDWFIBO-UHFFFAOYSA-N 1 0 266.316 1.504 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238058402 945045331 /nfs/dbraw/zinc/04/53/31/945045331.db2.gz RLIMDVJDFVMAIP-UHFFFAOYSA-N 1 0 280.343 1.940 20 10 CDCDRO Cn1ccc(-c2cnccc2/C=C/[NH+](C)C)cc1=O ZINC001240997655 946139869 /nfs/dbraw/zinc/13/98/69/946139869.db2.gz DDCYCFDLASTGNZ-VMPITWQZSA-N 1 0 255.321 1.980 20 10 CDCDRO COC(=O)CC[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001258362234 948785852 /nfs/dbraw/zinc/78/58/52/948785852.db2.gz YCQADGXMINVBNB-VIFPVBQESA-N 1 0 253.298 1.529 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC001249177500 949440308 /nfs/dbraw/zinc/44/03/08/949440308.db2.gz AYORKJPRIWWEED-ABAIWWIYSA-N 1 0 293.363 1.310 20 10 CDCDRO Oc1cccc2c1C[N@H+](C[C@H](O)C(F)(F)F)CC2 ZINC001250973426 950506100 /nfs/dbraw/zinc/50/61/00/950506100.db2.gz CEEYENWIICAILZ-NSHDSACASA-N 1 0 261.243 1.674 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@@H](O)COCc2ccco2)c(O)c1 ZINC001252654576 951541331 /nfs/dbraw/zinc/54/13/31/951541331.db2.gz CEVWKAQPWMGYQE-CYBMUJFWSA-N 1 0 293.319 1.358 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CNCc1ccc(N(C)C)cc1 ZINC001253209532 951807221 /nfs/dbraw/zinc/80/72/21/951807221.db2.gz GDIFGVOZAWIGIR-MRXNPFEDSA-N 1 0 279.428 1.545 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NCC(C)C)c1O ZINC001329675553 956056803 /nfs/dbraw/zinc/05/68/03/956056803.db2.gz PUZRKAZFVJWTHX-LLVKDONJSA-N 1 0 280.368 1.824 20 10 CDCDRO CC[C@H](C(=O)NCc1c(O)cccc1O)[NH+](CC)CC ZINC001304053100 956155689 /nfs/dbraw/zinc/15/56/89/956155689.db2.gz CGFMZMNTNNSXOO-GFCCVEGCSA-N 1 0 280.368 1.834 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@H](CO)CC(F)F)c(O)c1 ZINC001308684441 956559283 /nfs/dbraw/zinc/55/92/83/956559283.db2.gz HJCBCMQKRSBVGD-VIFPVBQESA-N 1 0 275.295 1.815 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)C[NH2+]C(C)(C)C ZINC001334716872 959304396 /nfs/dbraw/zinc/30/43/96/959304396.db2.gz AQAFGOOWCTVUSN-UHFFFAOYSA-N 1 0 285.384 1.882 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001336909291 960732682 /nfs/dbraw/zinc/73/26/82/960732682.db2.gz OKRYQXAUPJTZSF-UMVBOHGHSA-N 1 0 288.395 1.456 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC001352789382 967482337 /nfs/dbraw/zinc/48/23/37/967482337.db2.gz JYDHWMMFIIVKKF-CQSZACIVSA-N 1 0 257.341 1.697 20 10 CDCDRO Cn1cc(/C=C\C(=O)N2C[C@H](CC[NH3+])c3ccccc32)cn1 ZINC001354511505 968747846 /nfs/dbraw/zinc/74/78/46/968747846.db2.gz GKAZDCXDEFSTFU-AFNCTOJWSA-N 1 0 296.374 1.913 20 10 CDCDRO COc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(O)c1 ZINC000070075175 1171640189 /nfs/dbraw/zinc/64/01/89/1171640189.db2.gz UZXCVFTVUSGHST-GHMZBOCLSA-N 1 0 250.342 1.583 20 10 CDCDRO CN(C)c1cc(F)c(CNCC(C)(C)[NH3+])cc1F ZINC001578423024 1171906062 /nfs/dbraw/zinc/90/60/62/1171906062.db2.gz MYUSDYAOIHEOKM-UHFFFAOYSA-N 1 0 257.328 1.858 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237151169 282295234 /nfs/dbraw/zinc/29/52/34/282295234.db2.gz GAPDWDNRWYGZJS-VXGBXAGGSA-N 1 0 289.379 1.605 20 10 CDCDRO C[NH2+]CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418095082 529976867 /nfs/dbraw/zinc/97/68/67/529976867.db2.gz FVJUJKXLEIAJFA-UHFFFAOYSA-N 1 0 274.368 1.505 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC001579450998 1172182208 /nfs/dbraw/zinc/18/22/08/1172182208.db2.gz WAFSCPGLUTYFFI-ZYHUDNBSSA-N 1 0 278.352 1.002 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179643699 357218775 /nfs/dbraw/zinc/21/87/75/357218775.db2.gz FKWQQJTWYULSQP-NSHDSACASA-N 1 0 279.336 1.786 20 10 CDCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000179893931 357230211 /nfs/dbraw/zinc/23/02/11/357230211.db2.gz INYSQKPPCPQALE-GFCCVEGCSA-N 1 0 279.336 1.928 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000179950694 357232080 /nfs/dbraw/zinc/23/20/80/357232080.db2.gz AAOIVTMISBZNLW-HNNXBMFYSA-N 1 0 294.370 1.828 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCOCC(F)F)cc1OC ZINC000189003848 357961829 /nfs/dbraw/zinc/96/18/29/357961829.db2.gz ONVOYUJSDCJEFF-UHFFFAOYSA-N 1 0 291.294 1.781 20 10 CDCDRO CCN1CCC[N@H+](Cc2cccc(C)c2O)CC1=O ZINC000191537825 358137384 /nfs/dbraw/zinc/13/73/84/358137384.db2.gz AKFQSTHPNOWJJK-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO C[N@H+]1C[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]2C1 ZINC000192519422 358211443 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1.771 20 10 CDCDRO [NH3+]CCCCCC(=O)NCc1cccc(O)c1O ZINC000083392465 1173446867 /nfs/dbraw/zinc/44/68/67/1173446867.db2.gz QYHZDBGATXQURJ-UHFFFAOYSA-N 1 0 252.314 1.233 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000264948793 328163429 /nfs/dbraw/zinc/16/34/29/328163429.db2.gz JUKWCAVBDCLLDC-CQSZACIVSA-N 1 0 264.369 1.511 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c(O)c1 ZINC000185002834 329264538 /nfs/dbraw/zinc/26/45/38/329264538.db2.gz YNTHFRBKMPVTPF-GFCCVEGCSA-N 1 0 292.379 1.633 20 10 CDCDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000134230761 329658078 /nfs/dbraw/zinc/65/80/78/329658078.db2.gz REPUGCCIHDYZQO-GHMZBOCLSA-N 1 0 250.342 1.785 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000223946799 333214381 /nfs/dbraw/zinc/21/43/81/333214381.db2.gz TUFVLEZMEODTEK-JSGCOSHPSA-N 1 0 266.385 1.801 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001169514106 1162010565 /nfs/dbraw/zinc/01/05/65/1162010565.db2.gz QDYSSTGGNPOQGM-CYBMUJFWSA-N 1 0 262.353 1.719 20 10 CDCDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094616855 519501564 /nfs/dbraw/zinc/50/15/64/519501564.db2.gz FXBJJWKVROINSO-JTQLQIEISA-N 1 0 268.332 1.954 20 10 CDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236874568 520252186 /nfs/dbraw/zinc/25/21/86/520252186.db2.gz DSMOBXVOUPFZIQ-CQSZACIVSA-N 1 0 275.396 1.612 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280315867 521152800 /nfs/dbraw/zinc/15/28/00/521152800.db2.gz OVFQZDCUUMITDZ-JSGCOSHPSA-N 1 0 295.379 1.526 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000131003030 521332586 /nfs/dbraw/zinc/33/25/86/521332586.db2.gz PVGKBRIJOXPROF-NSPYISDASA-N 1 0 285.409 1.990 20 10 CDCDRO CCOc1cccc(C[NH2+]CC(C)(C)C(=O)NC)c1O ZINC000120139316 521361061 /nfs/dbraw/zinc/36/10/61/521361061.db2.gz WONADFSTDCRVKN-UHFFFAOYSA-N 1 0 280.368 1.653 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000236825903 521600667 /nfs/dbraw/zinc/60/06/67/521600667.db2.gz JDOUISNGRJPNMV-HNNXBMFYSA-N 1 0 275.396 1.802 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1F ZINC000237084541 522202035 /nfs/dbraw/zinc/20/20/35/522202035.db2.gz XXVHXMOIXZJMJU-HNNXBMFYSA-N 1 0 279.359 1.508 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2CCN(C=O)CC2)cc1F ZINC000278383177 522204507 /nfs/dbraw/zinc/20/45/07/522204507.db2.gz DEVDGEMCGFYFNK-UHFFFAOYSA-N 1 0 279.359 1.602 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1O ZINC000228094677 524432210 /nfs/dbraw/zinc/43/22/10/524432210.db2.gz PQGPFXGZAAQNJY-FZMZJTMJSA-N 1 0 251.326 1.330 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccccc1O ZINC000278878954 525403991 /nfs/dbraw/zinc/40/39/91/525403991.db2.gz SIVNUPWJHPUDTH-MJVIPROJSA-N 1 0 251.326 1.583 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000050395132 525608278 /nfs/dbraw/zinc/60/82/78/525608278.db2.gz QMBKARQQPGIJMK-FZMZJTMJSA-N 1 0 261.369 1.682 20 10 CDCDRO Cc1nnsc1C[NH2+]Cc1cc(F)ccc1O ZINC000292849740 526446423 /nfs/dbraw/zinc/44/64/23/526446423.db2.gz TWSYOFUTFKMSSB-UHFFFAOYSA-N 1 0 253.302 1.981 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1c(O)cccc1OC ZINC000725848636 574444272 /nfs/dbraw/zinc/44/42/72/574444272.db2.gz ZLRQMIHDIJVJMI-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC000769541639 575358148 /nfs/dbraw/zinc/35/81/48/575358148.db2.gz FBEQQDXINLGANC-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1=CC(=O)CS1 ZINC000734552671 575358073 /nfs/dbraw/zinc/35/80/73/575358073.db2.gz JOKNQNACHVYKSM-JTQLQIEISA-N 1 0 268.382 1.868 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c(O)c1 ZINC000770383448 575443811 /nfs/dbraw/zinc/44/38/11/575443811.db2.gz VLBWQODCJMEJTG-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765797234 576056839 /nfs/dbraw/zinc/05/68/39/576056839.db2.gz QXHOGQAVJAMONY-OCCSQVGLSA-N 1 0 293.386 1.896 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000768519559 576292469 /nfs/dbraw/zinc/29/24/69/576292469.db2.gz QXBRVPPHGBBUSX-NEPJUHHUSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)C[N@@H+]1C1CC1 ZINC000753926758 576866224 /nfs/dbraw/zinc/86/62/24/576866224.db2.gz UFYZFBXUSOKODL-DGCLKSJQSA-N 1 0 289.379 1.817 20 10 CDCDRO C[NH+](C)CCCNC(=S)NCc1ccccc1O ZINC000748157572 576898057 /nfs/dbraw/zinc/89/80/57/576898057.db2.gz MCBPBMCUXZUDCM-UHFFFAOYSA-N 1 0 267.398 1.308 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1O ZINC000757926751 577061504 /nfs/dbraw/zinc/06/15/04/577061504.db2.gz NTKYYQDJKZYJQZ-AWEZNQCLSA-N 1 0 285.315 1.589 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846143473 678653803 /nfs/dbraw/zinc/65/38/03/678653803.db2.gz GABHCFYRJQOMBO-IINYFYTJSA-N 1 0 269.341 1.449 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCC[S@](C)=O)cc1 ZINC000116919535 617250251 /nfs/dbraw/zinc/25/02/51/617250251.db2.gz VELSHNKJWOMMQA-QGZVFWFLSA-N 1 0 254.399 1.611 20 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287.411 1.910 20 10 CDCDRO COc1ccc(C[N@H+](CCO)CC2CC2)c(O)c1OC ZINC000891806391 617601222 /nfs/dbraw/zinc/60/12/22/617601222.db2.gz AFJIPMZYCYFPEW-UHFFFAOYSA-N 1 0 281.352 1.614 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892721383 617654737 /nfs/dbraw/zinc/65/47/37/617654737.db2.gz MDUHHUOHHRTBDY-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000840957110 617807355 /nfs/dbraw/zinc/80/73/55/617807355.db2.gz DONKKWBEHDRSAN-LLVKDONJSA-N 1 0 278.352 1.311 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1c(O)cccc1OC ZINC000840973533 617921134 /nfs/dbraw/zinc/92/11/34/617921134.db2.gz OLUPLAOXIAWDAP-UHFFFAOYSA-N 1 0 287.381 1.315 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnc3n2CCOC3)c(O)c1 ZINC000894184746 618672203 /nfs/dbraw/zinc/67/22/03/618672203.db2.gz FMFFHJWKCJNLMK-UHFFFAOYSA-N 1 0 289.335 1.417 20 10 CDCDRO CN(C)c1ncc(CN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000843057723 618692011 /nfs/dbraw/zinc/69/20/11/618692011.db2.gz SDVCJHVACKRERY-UHFFFAOYSA-N 1 0 297.406 1.954 20 10 CDCDRO COc1ccc(CN(C)CC[NH+](C)C)c(O)c1OC ZINC000894450622 618892336 /nfs/dbraw/zinc/89/23/36/618892336.db2.gz XEFRABLZLOHQPV-UHFFFAOYSA-N 1 0 268.357 1.403 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)COC(C)=O)c1O ZINC000894457472 618895527 /nfs/dbraw/zinc/89/55/27/618895527.db2.gz BTWIBSPWVBFBFT-VIFPVBQESA-N 1 0 253.298 1.442 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894461578 618900106 /nfs/dbraw/zinc/90/01/06/618900106.db2.gz IEYXKZIJCXDXJI-ZFWWWQNUSA-N 1 0 295.379 1.993 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@H]1OC ZINC000894466945 618903413 /nfs/dbraw/zinc/90/34/13/618903413.db2.gz QFMNWUMNPWWEOQ-OUCADQQQSA-N 1 0 287.306 1.952 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000841862940 619008238 /nfs/dbraw/zinc/00/82/38/619008238.db2.gz JGKLULDOQNVFQW-UHFFFAOYSA-N 1 0 273.384 1.962 20 10 CDCDRO COc1ccc(C[NH2+]C2CCN(OC)CC2)c(O)c1OC ZINC000894987763 619186290 /nfs/dbraw/zinc/18/62/90/619186290.db2.gz PUEQSQMGFJDHPQ-UHFFFAOYSA-N 1 0 296.367 1.525 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000895323177 619553726 /nfs/dbraw/zinc/55/37/26/619553726.db2.gz AFMMPUMHHPBVLL-HOTGVXAUSA-N 1 0 278.396 1.379 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1C ZINC000895327875 619565512 /nfs/dbraw/zinc/56/55/12/619565512.db2.gz DZTUFHNHOVGCQR-DZGCQCFKSA-N 1 0 265.353 1.327 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCSC[C@H]2CO)c1O ZINC000895471672 619689929 /nfs/dbraw/zinc/68/99/29/619689929.db2.gz ZSZUOOULHYBALZ-GFCCVEGCSA-N 1 0 283.393 1.619 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000896962014 620325835 /nfs/dbraw/zinc/32/58/35/620325835.db2.gz HSVRBXHSIHCDOD-LLVKDONJSA-N 1 0 279.336 1.786 20 10 CDCDRO [NH3+]C[C@H](NCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000904377083 626275039 /nfs/dbraw/zinc/27/50/39/626275039.db2.gz JIECDNJRKLAEFU-LBPRGKRZSA-N 1 0 274.286 1.991 20 10 CDCDRO CC[C@@H](O)C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905706317 626933553 /nfs/dbraw/zinc/93/35/53/626933553.db2.gz SXJSPVDXHRHXAR-HZPDHXFCSA-N 1 0 279.428 1.716 20 10 CDCDRO CC[NH2+]CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000044650119 630553952 /nfs/dbraw/zinc/55/39/52/630553952.db2.gz JJEVWBLNWGNQPB-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO COC[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921818501 633319105 /nfs/dbraw/zinc/31/91/05/633319105.db2.gz ORYSVIRTIQTFLC-HNNXBMFYSA-N 1 0 265.353 1.499 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(F)F)cc1 ZINC000852792100 679386783 /nfs/dbraw/zinc/38/67/83/679386783.db2.gz RSLOJJVCKYHEQA-LLVKDONJSA-N 1 0 271.311 1.524 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1 ZINC000886229891 677721329 /nfs/dbraw/zinc/72/13/29/677721329.db2.gz XJYKWPMZWXQLJW-ZIAGYGMSSA-N 1 0 295.379 1.811 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000858547657 677729269 /nfs/dbraw/zinc/72/92/69/677729269.db2.gz ICHXAOXHVZQDCR-CMPLNLGQSA-N 1 0 284.787 1.763 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835075362 677801301 /nfs/dbraw/zinc/80/13/01/677801301.db2.gz WYPBBWJKZIGYIW-JSGCOSHPSA-N 1 0 290.363 1.644 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)N(C)C)c1 ZINC000824988719 677829143 /nfs/dbraw/zinc/82/91/43/677829143.db2.gz RLNMNCOHFNVJAO-NSHDSACASA-N 1 0 252.358 1.831 20 10 CDCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000832244806 677850821 /nfs/dbraw/zinc/85/08/21/677850821.db2.gz XEUDTKZUASTPSH-IUODEOHRSA-N 1 0 277.368 1.740 20 10 CDCDRO C[NH+](C)C1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000830559700 677860723 /nfs/dbraw/zinc/86/07/23/677860723.db2.gz STNWAXALCVVPQP-UHFFFAOYSA-N 1 0 288.391 1.981 20 10 CDCDRO CN(C)c1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1F ZINC000843421158 677868481 /nfs/dbraw/zinc/86/84/81/677868481.db2.gz BHTLGFBFAWHAGS-CQSZACIVSA-N 1 0 293.386 1.143 20 10 CDCDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000841759449 677882077 /nfs/dbraw/zinc/88/20/77/677882077.db2.gz OABZIFFPTFKNNM-LBPRGKRZSA-N 1 0 290.411 1.558 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCC(=O)NC1=O ZINC000799125970 677925561 /nfs/dbraw/zinc/92/55/61/677925561.db2.gz VZZTYRVAZNTZRX-GFCCVEGCSA-N 1 0 276.336 1.409 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134492817 677941847 /nfs/dbraw/zinc/94/18/47/677941847.db2.gz YXHCWPUQGKEKFY-UHFFFAOYSA-N 1 0 280.324 1.079 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000824701879 677948917 /nfs/dbraw/zinc/94/89/17/677948917.db2.gz DEDAASGHLSXUQY-NEPJUHHUSA-N 1 0 279.336 1.832 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000827001392 677953521 /nfs/dbraw/zinc/95/35/21/677953521.db2.gz VMYAYNFUYZPDDN-CQSZACIVSA-N 1 0 290.363 1.981 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000793253370 677960218 /nfs/dbraw/zinc/96/02/18/677960218.db2.gz ALXXJAVJFZPQER-LLVKDONJSA-N 1 0 263.337 1.869 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)C[NH2+]1 ZINC000843119665 677960282 /nfs/dbraw/zinc/96/02/82/677960282.db2.gz BDRTWUBBPYQKCH-HUUCEWRRSA-N 1 0 289.423 1.705 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597639 678162658 /nfs/dbraw/zinc/16/26/58/678162658.db2.gz RLYSRFBINJGCCK-YPMHNXCESA-N 1 0 288.391 1.885 20 10 CDCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000126870454 678186505 /nfs/dbraw/zinc/18/65/05/678186505.db2.gz HTTJJJZRMRTITE-LLVKDONJSA-N 1 0 255.339 1.059 20 10 CDCDRO COC[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840103988 679666928 /nfs/dbraw/zinc/66/69/28/679666928.db2.gz JBGBAZJXCSLYTJ-GOEBONIOSA-N 1 0 293.363 1.676 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000886242779 679673332 /nfs/dbraw/zinc/67/33/32/679673332.db2.gz CZRBJDQMVLRCDC-DVSIDAKKSA-N 1 0 296.386 1.646 20 10 CDCDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1O ZINC000126355352 679685079 /nfs/dbraw/zinc/68/50/79/679685079.db2.gz CJQAPTMHQFCQAH-SECBINFHSA-N 1 0 262.309 1.064 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+][C@H](C)C2)c1O ZINC000842473401 679696870 /nfs/dbraw/zinc/69/68/70/679696870.db2.gz DBQCYEZIKOOCOF-SECBINFHSA-N 1 0 266.316 1.528 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cccc(C)c1O ZINC000809784587 679697811 /nfs/dbraw/zinc/69/78/11/679697811.db2.gz MBESCYCVIORKJT-LBPRGKRZSA-N 1 0 282.409 1.658 20 10 CDCDRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccccc1O ZINC000886734997 677718156 /nfs/dbraw/zinc/71/81/56/677718156.db2.gz UWVMKKSNIIBLNH-NSHDSACASA-N 1 0 298.408 1.467 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825600742 677719422 /nfs/dbraw/zinc/71/94/22/677719422.db2.gz QUQJZQJFBULBIV-SNVBAGLBSA-N 1 0 296.342 1.697 20 10 CDCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000825670110 677745678 /nfs/dbraw/zinc/74/56/78/677745678.db2.gz ICNGVDFYBUWOIR-JTQLQIEISA-N 1 0 296.342 1.840 20 10 CDCDRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939341 677826061 /nfs/dbraw/zinc/82/60/61/677826061.db2.gz BBWLIELJNBHSMN-YWPYICTPSA-N 1 0 265.401 1.765 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH3+] ZINC000841922180 677833996 /nfs/dbraw/zinc/83/39/96/677833996.db2.gz COUJBSDWZDVWML-UHFFFAOYSA-N 1 0 278.400 1.631 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000156540751 677834396 /nfs/dbraw/zinc/83/43/96/677834396.db2.gz FEOQWTPXZOAUPW-NWDGAFQWSA-N 1 0 263.385 1.694 20 10 CDCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@@H](C)C(N)=O ZINC000840914840 678043222 /nfs/dbraw/zinc/04/32/22/678043222.db2.gz ZPEWLBQPVDWRDZ-ZDUSSCGKSA-N 1 0 293.411 1.383 20 10 CDCDRO O=S1(=O)CCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000808427607 678048343 /nfs/dbraw/zinc/04/83/43/678048343.db2.gz YHOASCSWQVEVMA-NSHDSACASA-N 1 0 269.366 1.307 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000818545333 678127702 /nfs/dbraw/zinc/12/77/02/678127702.db2.gz YOYKLJVSAGAMAZ-LBPRGKRZSA-N 1 0 283.322 1.172 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCOC1 ZINC000122902879 678262149 /nfs/dbraw/zinc/26/21/49/678262149.db2.gz UYJQSMPRWLLLJN-CYBMUJFWSA-N 1 0 271.744 1.941 20 10 CDCDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccccc2O)CC1=O ZINC000846209715 678275971 /nfs/dbraw/zinc/27/59/71/678275971.db2.gz SMKXFTCBTJBBKZ-NEPJUHHUSA-N 1 0 262.353 1.911 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000086467090 678314307 /nfs/dbraw/zinc/31/43/07/678314307.db2.gz FDBYPWYZWMKETG-WDEREUQCSA-N 1 0 250.342 1.583 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)ccc2O)[C@@H](C)C1 ZINC000809698082 678327443 /nfs/dbraw/zinc/32/74/43/678327443.db2.gz VNDGMDROKGHLBV-LBPRGKRZSA-N 1 0 264.369 1.927 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC[C@H]2CCC[NH2+]2)c1 ZINC000817951215 678377962 /nfs/dbraw/zinc/37/79/62/678377962.db2.gz BRHAIEXKJJUAMF-WDEREUQCSA-N 1 0 250.342 1.803 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(N(C)C)cc1 ZINC000840808866 678384447 /nfs/dbraw/zinc/38/44/47/678384447.db2.gz YBODVUQQMLKTEP-DOMZBBRYSA-N 1 0 289.383 1.056 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000858588898 678391455 /nfs/dbraw/zinc/39/14/55/678391455.db2.gz UEKJBDGYIDANIV-MWLCHTKSSA-N 1 0 264.325 1.377 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000228941311 678440125 /nfs/dbraw/zinc/44/01/25/678440125.db2.gz MOGNEMWDCYKFMB-WDEREUQCSA-N 1 0 250.342 1.956 20 10 CDCDRO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877579079 678442858 /nfs/dbraw/zinc/44/28/58/678442858.db2.gz SSOWZRXOPQHVLA-IAGOWNOFSA-N 1 0 290.407 1.651 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000877568224 678448680 /nfs/dbraw/zinc/44/86/80/678448680.db2.gz HVKOYXDHTRTTGH-OKILXGFUSA-N 1 0 278.396 1.588 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[NH3+])c1O ZINC000843352315 678470124 /nfs/dbraw/zinc/47/01/24/678470124.db2.gz HYXNTJZJDLPMDO-GFCCVEGCSA-N 1 0 266.316 1.657 20 10 CDCDRO COC(=O)C1CC([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000877720485 678493415 /nfs/dbraw/zinc/49/34/15/678493415.db2.gz DDVQIKIBDCUOPO-UHFFFAOYSA-N 1 0 262.353 1.794 20 10 CDCDRO C[C@H](NC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)c1ccccc1O ZINC000877255866 678496667 /nfs/dbraw/zinc/49/66/67/678496667.db2.gz JBTJXIMWSUZDSS-GMXVVIOVSA-N 1 0 262.353 1.958 20 10 CDCDRO C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CC[NH3+] ZINC000846692367 678508291 /nfs/dbraw/zinc/50/82/91/678508291.db2.gz ANSPMBAVWIVGII-SWLSCSKDSA-N 1 0 275.396 1.787 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841981785 678554323 /nfs/dbraw/zinc/55/43/23/678554323.db2.gz IVOZKTYVJSJQLY-OLZOCXBDSA-N 1 0 277.368 1.804 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000841051749 678561350 /nfs/dbraw/zinc/56/13/50/678561350.db2.gz QYBSYEGYRILLHK-QMMMGPOBSA-N 1 0 269.301 1.136 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+][C@@H](C(C)C)C2)cc1OC ZINC000843103669 678588991 /nfs/dbraw/zinc/58/89/91/678588991.db2.gz CTNVHDSNNYOPBX-CYBMUJFWSA-N 1 0 294.395 1.839 20 10 CDCDRO CS[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1[NH+](C)C ZINC000790903805 678616570 /nfs/dbraw/zinc/61/65/70/678616570.db2.gz BGNLPCJZKAPMEX-CMPLNLGQSA-N 1 0 296.392 1.215 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2(C)C[NH2+]C2)c1 ZINC000817997345 678676962 /nfs/dbraw/zinc/67/69/62/678676962.db2.gz ZUFBTGYMNYPUNS-SECBINFHSA-N 1 0 264.325 1.188 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000877779587 678706952 /nfs/dbraw/zinc/70/69/52/678706952.db2.gz CPUALTLTEHPQHR-NSHDSACASA-N 1 0 269.366 1.311 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccc(O)c(O)c1)CC(C)(C)C ZINC000821070886 678730254 /nfs/dbraw/zinc/73/02/54/678730254.db2.gz PRJRKECTFBPCRT-UHFFFAOYSA-N 1 0 280.368 1.692 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000093013673 678739825 /nfs/dbraw/zinc/73/98/25/678739825.db2.gz POUUNMGWJKCFQF-UHFFFAOYSA-N 1 0 279.336 1.740 20 10 CDCDRO CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877145848 678784953 /nfs/dbraw/zinc/78/49/53/678784953.db2.gz PSIVOYDVHKGHNN-UHFFFAOYSA-N 1 0 291.439 1.818 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1O ZINC000846146617 678828832 /nfs/dbraw/zinc/82/88/32/678828832.db2.gz RHTACKLGGFLRGU-STQMWFEESA-N 1 0 294.395 1.772 20 10 CDCDRO CCOc1ccc(CN2C[C@@H](CO)OC[C@@H]2C)c(O)c1 ZINC000770350141 678848367 /nfs/dbraw/zinc/84/83/67/678848367.db2.gz FLVGEYUSMQTZIK-FZMZJTMJSA-N 1 0 281.352 1.373 20 10 CDCDRO C[NH2+]CCC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697113 678878540 /nfs/dbraw/zinc/87/85/40/678878540.db2.gz KOLQWSNQVOBYCV-UHFFFAOYSA-N 1 0 279.384 1.199 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000844404830 678902499 /nfs/dbraw/zinc/90/24/99/678902499.db2.gz VNZIZCLGBUJATC-HUUCEWRRSA-N 1 0 264.369 1.334 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000925410298 678914397 /nfs/dbraw/zinc/91/43/97/678914397.db2.gz ZPLDNIOKEGCFBJ-MNOVXSKESA-N 1 0 293.367 1.465 20 10 CDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000817708668 678951294 /nfs/dbraw/zinc/95/12/94/678951294.db2.gz BCZBOOMIPZFFSR-INIZCTEOSA-N 1 0 277.412 1.299 20 10 CDCDRO C[C@H](NCC[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817934946 678981437 /nfs/dbraw/zinc/98/14/37/678981437.db2.gz RERXVCVPWDCOJN-NSHDSACASA-N 1 0 283.803 1.786 20 10 CDCDRO CCN1CC[C@H](N2CCCc3cc(C[NH3+])ccc32)C1=O ZINC000700877023 678994304 /nfs/dbraw/zinc/99/43/04/678994304.db2.gz AQOSSYWJHKJGEV-HNNXBMFYSA-N 1 0 273.380 1.519 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)C[C@H](C)O)cc1OC ZINC000783602424 679001106 /nfs/dbraw/zinc/00/11/06/679001106.db2.gz LDDDMISUUNORGG-UWVGGRQHSA-N 1 0 269.341 1.658 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000876581445 679026935 /nfs/dbraw/zinc/02/69/35/679026935.db2.gz JUGKKZXNUQCSJA-LBPRGKRZSA-N 1 0 298.408 1.214 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@](C)(O)C2CC2)cc1OC ZINC000776173953 679034203 /nfs/dbraw/zinc/03/42/03/679034203.db2.gz FDDRVLQRGTYNNY-OAHLLOKOSA-N 1 0 281.352 1.660 20 10 CDCDRO COCC[NH2+]CCNCc1c(O)cccc1Cl ZINC000841047718 679048989 /nfs/dbraw/zinc/04/89/89/679048989.db2.gz HKZICUNQBCYFDV-UHFFFAOYSA-N 1 0 258.749 1.371 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000313298397 679049359 /nfs/dbraw/zinc/04/93/59/679049359.db2.gz ATTNWKWWQUHCNS-OAHLLOKOSA-N 1 0 294.395 1.010 20 10 CDCDRO CC[NH+]1CCC(CNC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000780909568 679052235 /nfs/dbraw/zinc/05/22/35/679052235.db2.gz RIQGIGNWGHYJCY-UHFFFAOYSA-N 1 0 292.379 1.868 20 10 CDCDRO CCOc1ccc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c(O)c1 ZINC000843119938 679068201 /nfs/dbraw/zinc/06/82/01/679068201.db2.gz PIWLZBFBCCSSBN-NEPJUHHUSA-N 1 0 264.369 1.973 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)[C@H]1OC ZINC000877352250 679073494 /nfs/dbraw/zinc/07/34/94/679073494.db2.gz WRKSJOUPNHCOLK-BPLDGKMQSA-N 1 0 265.353 1.983 20 10 CDCDRO COCCOCC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000808237135 679110361 /nfs/dbraw/zinc/11/03/61/679110361.db2.gz DLUALZGECDXCDZ-UHFFFAOYSA-N 1 0 283.368 1.804 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000219147636 679114180 /nfs/dbraw/zinc/11/41/80/679114180.db2.gz SDXNJVAFLFJLOK-NSHDSACASA-N 1 0 259.733 1.533 20 10 CDCDRO COC[C@@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267051 679126862 /nfs/dbraw/zinc/12/68/62/679126862.db2.gz LZCKKZHHSICTRF-WFASDCNBSA-N 1 0 293.411 1.541 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000783524606 679127017 /nfs/dbraw/zinc/12/70/17/679127017.db2.gz HZXSMKDXOCBJSL-UHTWSYAYSA-N 1 0 262.353 1.958 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1 ZINC000862427580 679166950 /nfs/dbraw/zinc/16/69/50/679166950.db2.gz BHNQANZFNHYRGU-LBPRGKRZSA-N 1 0 278.352 1.453 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@]2(C)OC)cc1OC ZINC000827714760 679178595 /nfs/dbraw/zinc/17/85/95/679178595.db2.gz FNRYYBHTFORCMK-KGLIPLIRSA-N 1 0 267.325 1.676 20 10 CDCDRO COc1cc(C[NH2+][C@H](C)C(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825716257 679187494 /nfs/dbraw/zinc/18/74/94/679187494.db2.gz QXCMASREHSAHFN-SECBINFHSA-N 1 0 280.368 1.662 20 10 CDCDRO [NH3+][C@H]1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000852885519 679188280 /nfs/dbraw/zinc/18/82/80/679188280.db2.gz XDJJPQYIEZDKKZ-HAQNSBGRSA-N 1 0 274.364 1.625 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000818647234 679194786 /nfs/dbraw/zinc/19/47/86/679194786.db2.gz TZOVWGWIQDXZKP-HUUCEWRRSA-N 1 0 290.411 1.822 20 10 CDCDRO COC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000112960550 679208441 /nfs/dbraw/zinc/20/84/41/679208441.db2.gz ITJHTUUHGVATMA-LLVKDONJSA-N 1 0 279.336 1.979 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCNc2cnccn2)c1O ZINC000846151214 679209572 /nfs/dbraw/zinc/20/95/72/679209572.db2.gz VMGDNQFFCKDBRS-LLVKDONJSA-N 1 0 288.351 1.954 20 10 CDCDRO Cn1cc([C@@H]2CN(Cc3cccc(F)c3O)C[C@H]2[NH3+])cn1 ZINC000818431332 679376819 /nfs/dbraw/zinc/37/68/19/679376819.db2.gz JIVPLVMBJIQGQB-GXTWGEPZSA-N 1 0 290.342 1.192 20 10 CDCDRO CCOc1ccc(CN(C)[C@H]2CC[NH2+]C2)c(O)c1 ZINC000843049571 679413949 /nfs/dbraw/zinc/41/39/49/679413949.db2.gz QOMSOIRKMMKHQB-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO O=C(CCCC[NH+]1CCCC1)NCc1ccc(O)c(O)c1 ZINC000778918415 679416151 /nfs/dbraw/zinc/41/61/51/679416151.db2.gz LAYKZDWXFCIFKW-UHFFFAOYSA-N 1 0 292.379 1.980 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2COCCO2)cc1 ZINC000844402765 679420116 /nfs/dbraw/zinc/42/01/16/679420116.db2.gz VPEHLPDHBPIHSM-MRXNPFEDSA-N 1 0 294.395 1.479 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877550873 679454883 /nfs/dbraw/zinc/45/48/83/679454883.db2.gz SAXPIUNIUHXJCQ-AWEZNQCLSA-N 1 0 264.369 1.951 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841078458 679467058 /nfs/dbraw/zinc/46/70/58/679467058.db2.gz HXGWXZHQMIWVQC-QWRGUYRKSA-N 1 0 258.724 1.835 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N(C)C)cc1 ZINC000841882384 679516774 /nfs/dbraw/zinc/51/67/74/679516774.db2.gz YGVJFWPAJXWAFB-RABLLNBGSA-N 1 0 288.395 1.331 20 10 CDCDRO CC[C@H](C)[N@H+](CCO)Cc1cccc(OC)c1O ZINC000862386728 679519689 /nfs/dbraw/zinc/51/96/89/679519689.db2.gz ATMCFNSZUYXVBO-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[NH+](C)C ZINC000855009642 679553610 /nfs/dbraw/zinc/55/36/10/679553610.db2.gz HIOHSSKCTQPNNP-BXKUYDPTSA-N 1 0 264.325 1.177 20 10 CDCDRO CCOc1ccc(CN2CC[C@@H]([NH2+]C)C2)c(O)c1 ZINC000843045508 679592735 /nfs/dbraw/zinc/59/27/35/679592735.db2.gz UBVPGKGPVWJDIN-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO COC1(CO)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000775204981 679604302 /nfs/dbraw/zinc/60/43/02/679604302.db2.gz UWXVWUHTCYFGDC-UHFFFAOYSA-N 1 0 295.335 1.094 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000228667891 679631196 /nfs/dbraw/zinc/63/11/96/679631196.db2.gz WBZAGMAMXTZQFL-QWRGUYRKSA-N 1 0 282.771 1.705 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2COCCO2)cc1 ZINC000844402763 679631378 /nfs/dbraw/zinc/63/13/78/679631378.db2.gz VPEHLPDHBPIHSM-INIZCTEOSA-N 1 0 294.395 1.479 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2OC)[C@H]1C ZINC000787421509 679632364 /nfs/dbraw/zinc/63/23/64/679632364.db2.gz STHJNGAUVINHGA-QWRGUYRKSA-N 1 0 279.336 1.784 20 10 CDCDRO COC[C@@H](C)NC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048918 679633778 /nfs/dbraw/zinc/63/37/78/679633778.db2.gz NHBWNVLBKVBPTQ-MRVPVSSYSA-N 1 0 271.748 1.694 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000841654029 679644017 /nfs/dbraw/zinc/64/40/17/679644017.db2.gz LVXVRKBVNYQVAL-UHFFFAOYSA-N 1 0 288.395 1.472 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC[C@@H]2CCC[NH2+]2)c1 ZINC000817951213 679646307 /nfs/dbraw/zinc/64/63/07/679646307.db2.gz BRHAIEXKJJUAMF-MNOVXSKESA-N 1 0 250.342 1.803 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)[NH3+] ZINC000841985514 679648414 /nfs/dbraw/zinc/64/84/14/679648414.db2.gz OJUQGLJLOWAVHL-LBPRGKRZSA-N 1 0 278.400 1.631 20 10 CDCDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(C)ccc1O ZINC000088658258 1158734880 /nfs/dbraw/zinc/73/48/80/1158734880.db2.gz UHGPNDPZZWLPJF-ZDUSSCGKSA-N 1 0 278.352 1.038 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(-c3nn[nH]n3)n2)c1 ZINC001605875889 1163701995 /nfs/dbraw/zinc/70/19/95/1163701995.db2.gz SXWRSIZPBCSGSK-UHFFFAOYSA-N 1 0 296.334 1.566 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC(=O)N(C)C)c1 ZINC000160414736 1178413854 /nfs/dbraw/zinc/41/38/54/1178413854.db2.gz UQNNUSWZLNAHJR-JTQLQIEISA-N 1 0 282.340 1.750 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000825973754 1166050086 /nfs/dbraw/zinc/05/00/86/1166050086.db2.gz PIHSQZJJCZNWNC-CQSZACIVSA-N 1 0 265.332 1.070 20 10 CDCDRO O[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074637 899557277 /nfs/dbraw/zinc/55/72/77/899557277.db2.gz PCOLYPFDCVJHDF-MRXNPFEDSA-N 1 0 272.392 1.952 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CCO1 ZINC001168078154 906732292 /nfs/dbraw/zinc/73/22/92/906732292.db2.gz KOQWUPIJIUUILP-ZYHUDNBSSA-N 1 0 251.326 1.797 20 10 CDCDRO CCN1CC[C@H]([NH2+]Cc2cccc(O)c2O)CC1=O ZINC001172037388 911163869 /nfs/dbraw/zinc/16/38/69/911163869.db2.gz XBILRJFSMVFAFQ-NSHDSACASA-N 1 0 264.325 1.198 20 10 CDCDRO O=C1CC[C@H]2C[C@H]([NH2+]Cc3ccccc3O)CCN12 ZINC001172146663 911357948 /nfs/dbraw/zinc/35/79/48/911357948.db2.gz MNUAXMICKGGYTQ-OLZOCXBDSA-N 1 0 260.337 1.635 20 10 CDCDRO C[N@@H+]1CCC[C@H]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689373 915926495 /nfs/dbraw/zinc/92/64/95/915926495.db2.gz NMLWFSZNBQGCPA-IYNGYCSASA-N 1 0 290.363 1.712 20 10 CDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2c(O)cccc2Cl)C1 ZINC001206422193 916370873 /nfs/dbraw/zinc/37/08/73/916370873.db2.gz CPIZFODHJOMAKD-RKDXNWHRSA-N 1 0 258.724 1.917 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(O)c1 ZINC001206432443 916623385 /nfs/dbraw/zinc/62/33/85/916623385.db2.gz BWNAIYSSRYCZJS-VXGBXAGGSA-N 1 0 267.348 1.329 20 10 CDCDRO Cc1c(CN2CCO[C@H](CO)C2)c2ccccc2n1C ZINC001138252372 936501682 /nfs/dbraw/zinc/50/16/82/936501682.db2.gz DTLHOWYKHXBGMC-ZDUSSCGKSA-N 1 0 274.364 1.680 20 10 CDCDRO CCOc1cccc(CN2CCOC[C@@H]2C[NH+](C)C)c1O ZINC001203613640 919515682 /nfs/dbraw/zinc/51/56/82/919515682.db2.gz CKUYEBANDCIVDO-AWEZNQCLSA-N 1 0 294.395 1.553 20 10 CDCDRO COc1cc(CN2CC(F)C2)cc(C[NH+](C)C)c1O ZINC001139253005 936611703 /nfs/dbraw/zinc/61/17/03/936611703.db2.gz IGXZXCFUHZRZDV-UHFFFAOYSA-N 1 0 268.332 1.616 20 10 CDCDRO COc1cc(CN2CCC(=O)C2)cc(C[NH+](C)C)c1O ZINC001139256765 936611744 /nfs/dbraw/zinc/61/17/44/936611744.db2.gz JWYCLCBTXZLBOE-UHFFFAOYSA-N 1 0 278.352 1.237 20 10 CDCDRO COC(=O)C[C@@H]1CN(Cc2c(C)ccc(C)c2O)CCO1 ZINC001140182266 936684865 /nfs/dbraw/zinc/68/48/65/936684865.db2.gz NAYOCMRXNJKKRG-CYBMUJFWSA-N 1 0 293.363 1.773 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC001140749865 936749661 /nfs/dbraw/zinc/74/96/61/936749661.db2.gz ONGQDFHJKVZRFF-CYBMUJFWSA-N 1 0 288.351 1.835 20 10 CDCDRO Cc1ccc(C[N@@H+](C)CCC(=O)N(C)C)c(O)c1 ZINC001140950661 936783229 /nfs/dbraw/zinc/78/32/29/936783229.db2.gz BCENPYWERTXALO-UHFFFAOYSA-N 1 0 250.342 1.611 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c(O)c1 ZINC001140954027 936783814 /nfs/dbraw/zinc/78/38/14/936783814.db2.gz JMKKLNZERPQFLM-UHFFFAOYSA-N 1 0 291.395 1.936 20 10 CDCDRO Oc1ccc(O)c(CN2CCN(CCF)CC2)c1 ZINC001141160447 936822057 /nfs/dbraw/zinc/82/20/57/936822057.db2.gz YUGZAURWOGYTRB-UHFFFAOYSA-N 1 0 254.305 1.185 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@H](O)C3)ccc21 ZINC001141140234 936818925 /nfs/dbraw/zinc/81/89/25/936818925.db2.gz JRHSNERHFFOGOV-AWEZNQCLSA-N 1 0 276.380 1.862 20 10 CDCDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193246767 923564894 /nfs/dbraw/zinc/56/48/94/923564894.db2.gz AYGHUOGCBIVWQX-QMMMGPOBSA-N 1 0 284.743 1.433 20 10 CDCDRO C[C@@H](NC(=O)N(C)CC[NH3+])c1ccc(N(C)C)cc1 ZINC000841882171 937020670 /nfs/dbraw/zinc/02/06/70/937020670.db2.gz XDTGVCNHOTXDOU-LLVKDONJSA-N 1 0 264.373 1.414 20 10 CDCDRO CCc1cccc(C[NH2+]CC(C)(C)OCCO)c1O ZINC000691445965 928864466 /nfs/dbraw/zinc/86/44/66/928864466.db2.gz MNXGTGIXICUMQS-UHFFFAOYSA-N 1 0 267.369 1.832 20 10 CDCDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccccc2O)c1C ZINC001116566141 937456804 /nfs/dbraw/zinc/45/68/04/937456804.db2.gz QOSZSASBRWBPEQ-UHFFFAOYSA-N 1 0 259.309 1.794 20 10 CDCDRO C[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000691395619 931463531 /nfs/dbraw/zinc/46/35/31/931463531.db2.gz OHGIYGVLZIEORO-ZETCQYMHSA-N 1 0 260.131 1.625 20 10 CDCDRO COc1cccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1O ZINC001206117168 931674782 /nfs/dbraw/zinc/67/47/82/931674782.db2.gz JYASGBFTOGAYEJ-JTQLQIEISA-N 1 0 272.295 1.569 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001144509312 931876225 /nfs/dbraw/zinc/87/62/25/931876225.db2.gz SKJWQWJCFHRDCK-ZDUSSCGKSA-N 1 0 287.319 1.931 20 10 CDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N)cc2)[C@H](C)C1 ZINC001120269338 937790410 /nfs/dbraw/zinc/79/04/10/937790410.db2.gz QEERJKOBGSJKPD-CHWSQXEVSA-N 1 0 263.385 1.156 20 10 CDCDRO C=CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC001120552845 937809711 /nfs/dbraw/zinc/80/97/11/937809711.db2.gz MSLSHTCAROHYIU-UHFFFAOYSA-N 1 0 291.370 1.770 20 10 CDCDRO C[NH+](C)CCNc1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC001161671243 938918952 /nfs/dbraw/zinc/91/89/52/938918952.db2.gz LUQHBDMMTQGVTH-UHFFFAOYSA-N 1 0 275.352 1.180 20 10 CDCDRO CNc1ccccc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163176386 939220536 /nfs/dbraw/zinc/22/05/36/939220536.db2.gz 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O=C(N1CC=CC1)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001277447013 942588064 /nfs/dbraw/zinc/58/80/64/942588064.db2.gz YMXKRDLDKRVDIR-UHFFFAOYSA-N 1 0 284.359 1.803 20 10 CDCDRO CCC(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231591031 942938867 /nfs/dbraw/zinc/93/88/67/942938867.db2.gz QLJOKLVBHAEDAX-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)cc1O ZINC001231634628 942950210 /nfs/dbraw/zinc/95/02/10/942950210.db2.gz PXXYOJBLFLLROH-OAHLLOKOSA-N 1 0 281.352 1.843 20 10 CDCDRO COc1cc(C[N@H+]2CCc3nccn3CC2)c(O)cc1O ZINC001231636897 942951987 /nfs/dbraw/zinc/95/19/87/942951987.db2.gz AVGDZBYGVBHMFV-UHFFFAOYSA-N 1 0 289.335 1.361 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(O)cc1O ZINC001231637377 942953384 /nfs/dbraw/zinc/95/33/84/942953384.db2.gz LLHHPLBMADKJOW-HNNXBMFYSA-N 1 0 279.336 1.861 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)c(O)c1 ZINC001277569506 943022404 /nfs/dbraw/zinc/02/24/04/943022404.db2.gz ZRXAPWCQCPCGPV-ZDUSSCGKSA-N 1 0 274.364 1.788 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ZINC001237203764 944692935 /nfs/dbraw/zinc/69/29/35/944692935.db2.gz WCSKJDVKQVPEBX-UHFFFAOYSA-N 1 0 294.420 1.517 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCc2cnn(C)c2C1 ZINC001237489425 944814161 /nfs/dbraw/zinc/81/41/61/944814161.db2.gz ASBBJIWJEDHFHJ-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(O)c(OC)c1 ZINC001237674956 944921538 /nfs/dbraw/zinc/92/15/38/944921538.db2.gz OALOIGNCMQFBAS-ZYHUDNBSSA-N 1 0 281.352 1.755 20 10 CDCDRO O=c1cc[nH]cc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001237847432 944982911 /nfs/dbraw/zinc/98/29/11/944982911.db2.gz DUMHWWSMHFIUBT-UHFFFAOYSA-N 1 0 286.331 1.735 20 10 CDCDRO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC001261835295 946294296 /nfs/dbraw/zinc/29/42/96/946294296.db2.gz QAHLQILBFFAFBM-CQSZACIVSA-N 1 0 292.402 1.029 20 10 CDCDRO Cc1nc2c(ccn2C)c(-c2cnn(C3C[NH2+]C3)c2)n1 ZINC001241591887 946370675 /nfs/dbraw/zinc/37/06/75/946370675.db2.gz PVICXRYTWDDNBP-UHFFFAOYSA-N 1 0 268.324 1.285 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)C[C@@H]2C1 ZINC001262107221 946437856 /nfs/dbraw/zinc/43/78/56/946437856.db2.gz GYLWSNDFKVEDLV-IYBDPMFKSA-N 1 0 288.391 1.919 20 10 CDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N)cc1 ZINC001262603762 946759636 /nfs/dbraw/zinc/75/96/36/946759636.db2.gz UMFALMJUCNOBCX-AWEZNQCLSA-N 1 0 276.384 1.504 20 10 CDCDRO Oc1ccc(C[NH2+][C@@H]2CC3CCN(CC3)C2)c(O)c1 ZINC001254840626 947619020 /nfs/dbraw/zinc/61/90/20/947619020.db2.gz KXUNJVDHMSXNGM-CYBMUJFWSA-N 1 0 262.353 1.672 20 10 CDCDRO Cn1c(=O)cccc1C1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001245429531 947668661 /nfs/dbraw/zinc/66/86/61/947668661.db2.gz XSJWCOCIJNPART-CQSZACIVSA-N 1 0 274.364 1.653 20 10 CDCDRO CN(Cc1nnc(-c2ccc(-n3cccc3)cc2)o1)C(N)=[NH2+] ZINC001256935722 948462258 /nfs/dbraw/zinc/46/22/58/948462258.db2.gz QTTFOQQDMJUJPY-UHFFFAOYSA-N 1 0 296.334 1.853 20 10 CDCDRO CCOc1ccc(N2CCN([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246948212 948536634 /nfs/dbraw/zinc/53/66/34/948536634.db2.gz JFQGNXAUWSVILE-MRXNPFEDSA-N 1 0 289.423 1.959 20 10 CDCDRO CCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001258480203 948874651 /nfs/dbraw/zinc/87/46/51/948874651.db2.gz VQLTZRUVIQIYEU-JTQLQIEISA-N 1 0 267.325 1.919 20 10 CDCDRO Oc1cccc(C[NH2+]C[C@H](O)COc2ccccc2)c1O ZINC001251247559 950676824 /nfs/dbraw/zinc/67/68/24/950676824.db2.gz IJOCCSJSNATIHD-ZDUSSCGKSA-N 1 0 289.331 1.627 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253472571 951925857 /nfs/dbraw/zinc/92/58/57/951925857.db2.gz ZHTRDLRKTLJAPE-AWEZNQCLSA-N 1 0 279.380 1.887 20 10 CDCDRO C[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1 ZINC001303989365 956145040 /nfs/dbraw/zinc/14/50/40/956145040.db2.gz OKVXOGLRRHXQCU-BRLPQQTGSA-N 1 0 290.363 1.567 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)C[S@](C)=O)cc1OC ZINC001308636105 956556623 /nfs/dbraw/zinc/55/66/23/956556623.db2.gz YLNCLTQKRKCGNP-HOGDKLEQSA-N 1 0 287.381 1.266 20 10 CDCDRO Nc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC001334753978 959331747 /nfs/dbraw/zinc/33/17/47/959331747.db2.gz KTJINIQDYCOIJW-UHFFFAOYSA-N 1 0 282.391 1.982 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337079121 960916991 /nfs/dbraw/zinc/91/69/91/960916991.db2.gz VVAGDBWPVYLTRD-CQSZACIVSA-N 1 0 276.384 1.504 20 10 CDCDRO CC(C)C[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001338799294 962004353 /nfs/dbraw/zinc/00/43/53/962004353.db2.gz OVXLITBWPJCYLG-UHFFFAOYSA-N 1 0 290.411 1.752 20 10 CDCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(N)cc1 ZINC001345159136 964610218 /nfs/dbraw/zinc/61/02/18/964610218.db2.gz CDTJLHVWWARZEL-ZDUSSCGKSA-N 1 0 280.393 1.749 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NCC2([NH3+])CC2)cc1 ZINC001353289424 967865059 /nfs/dbraw/zinc/86/50/59/967865059.db2.gz YDJLDRGSUWQRJW-UHFFFAOYSA-N 1 0 290.411 1.823 20 10 CDCDRO CC(C)c1ccc(O)c(C[NH2+][C@H](CO)Cc2cn[nH]n2)c1 ZINC001575454199 1126214770 /nfs/dbraw/zinc/21/47/70/1126214770.db2.gz LFXBAXKFAKUIEG-AWEZNQCLSA-N 1 0 290.367 1.327 20 10 CDCDRO CN(C)c1ccc(CN(C(=O)COCC[NH3+])C2CC2)cc1 ZINC001578425827 1171905916 /nfs/dbraw/zinc/90/59/16/1171905916.db2.gz PALGVNWQFSLREC-UHFFFAOYSA-N 1 0 291.395 1.219 20 10 CDCDRO CC[N@H+](CC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000135971006 361778196 /nfs/dbraw/zinc/77/81/96/361778196.db2.gz NKZUJBKKNCWBCZ-UHFFFAOYSA-N 1 0 262.353 1.835 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1 ZINC000366487666 361873955 /nfs/dbraw/zinc/87/39/55/361873955.db2.gz GMLZULUWIJODOC-LBPRGKRZSA-N 1 0 283.393 1.567 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000293547327 362363327 /nfs/dbraw/zinc/36/33/27/362363327.db2.gz DOLZJKPHIJIXOW-CQSZACIVSA-N 1 0 251.326 1.915 20 10 CDCDRO C[N@H+]1CC=C(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295116235 199353579 /nfs/dbraw/zinc/35/35/79/199353579.db2.gz WBKFJUPVXIBIQI-UHFFFAOYSA-N 1 0 280.299 1.229 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1O ZINC000036794092 356884196 /nfs/dbraw/zinc/88/41/96/356884196.db2.gz MDGRUVQHHVTTLA-CMPLNLGQSA-N 1 0 250.342 1.910 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000180057329 357239594 /nfs/dbraw/zinc/23/95/94/357239594.db2.gz YJFPRDIEZBEDNU-UHFFFAOYSA-N 1 0 263.337 1.977 20 10 CDCDRO OCCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180134442 357245459 /nfs/dbraw/zinc/24/54/59/357245459.db2.gz FGQPKFBWNBXCDK-CYBMUJFWSA-N 1 0 269.316 1.505 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180145327 357246238 /nfs/dbraw/zinc/24/62/38/357246238.db2.gz PVGIVOHBLKLMMO-SNVBAGLBSA-N 1 0 266.316 1.489 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1OC ZINC000187985104 357831143 /nfs/dbraw/zinc/83/11/43/357831143.db2.gz PWOBOMTUGHFZMW-PWSUYJOCSA-N 1 0 281.352 1.660 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H](C)O1 ZINC000188366020 357885708 /nfs/dbraw/zinc/88/57/08/357885708.db2.gz VUTICPHZZHARPC-SMDDNHRTSA-N 1 0 281.352 1.637 20 10 CDCDRO COc1cccc(CN2CCN(CC(C)C)C(=O)C2)c1O ZINC000190098042 358052517 /nfs/dbraw/zinc/05/25/17/358052517.db2.gz CXJYAMPAMZDSAH-UHFFFAOYSA-N 1 0 292.379 1.701 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H](C)OC)cc1OC ZINC000191204481 358119385 /nfs/dbraw/zinc/11/93/85/358119385.db2.gz JQDINXVVJFQYKR-SECBINFHSA-N 1 0 255.314 1.534 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCC(O)CC2)c1 ZINC000294775168 199177899 /nfs/dbraw/zinc/17/78/99/199177899.db2.gz GHTSTOSKCVPJOS-LBPRGKRZSA-N 1 0 294.395 1.508 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(OC)c1O ZINC000091986603 358534247 /nfs/dbraw/zinc/53/42/47/358534247.db2.gz DOMKLDNAZRUVPZ-JTQLQIEISA-N 1 0 267.325 1.642 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCC(C)(C)CO)cc1OC ZINC000294936245 199258988 /nfs/dbraw/zinc/25/89/88/199258988.db2.gz ZUDFUDALPQCHFN-UHFFFAOYSA-N 1 0 283.368 1.908 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCC1(O)CCOCC1)CC2 ZINC000297421175 200184480 /nfs/dbraw/zinc/18/44/80/200184480.db2.gz UROJTGKQFYKWGQ-CYBMUJFWSA-N 1 0 277.364 1.901 20 10 CDCDRO O=C1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CN1C1CC1 ZINC000267751973 363891020 /nfs/dbraw/zinc/89/10/20/363891020.db2.gz MNCZZNIFBUPZGU-VIFPVBQESA-N 1 0 280.755 1.899 20 10 CDCDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268852239 364103360 /nfs/dbraw/zinc/10/33/60/364103360.db2.gz PXEFASSUERPWCN-STQMWFEESA-N 1 0 296.386 1.941 20 10 CDCDRO COc1cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000270566160 364656490 /nfs/dbraw/zinc/65/64/90/364656490.db2.gz RVIXBLZJIWGERK-NSHDSACASA-N 1 0 279.258 1.804 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168869353 365008718 /nfs/dbraw/zinc/00/87/18/365008718.db2.gz AXZXMKAQIQBIGX-KSRUKNBBSA-N 1 0 259.346 1.949 20 10 CDCDRO C[NH+]1CCN(CCC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226619143 367372876 /nfs/dbraw/zinc/37/28/76/367372876.db2.gz SDXIXJCUFYAOFS-UHFFFAOYSA-N 1 0 281.375 1.258 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000375556605 370862437 /nfs/dbraw/zinc/86/24/37/370862437.db2.gz HSIFLLICEXESHG-OAHLLOKOSA-N 1 0 276.336 1.775 20 10 CDCDRO CC[C@@H](NCc1ncn(C)n1)c1ccc(F)cc1O ZINC000285948261 368676825 /nfs/dbraw/zinc/67/68/25/368676825.db2.gz DUMJPOLUEQGSGA-LLVKDONJSA-N 1 0 264.304 1.901 20 10 CDCDRO COc1ccc(N(C)C[C@H](O)C[N@H+](C)C2CC2)cc1F ZINC000289292265 369539896 /nfs/dbraw/zinc/53/98/96/369539896.db2.gz BGMWGKTUOAFWKA-CYBMUJFWSA-N 1 0 282.359 1.726 20 10 CDCDRO COc1ccc(N(C)C[C@@H](O)C[N@H+](C)C2CC2)c(OC)c1 ZINC000289332650 369545542 /nfs/dbraw/zinc/54/55/42/369545542.db2.gz HWLHWQLOJIRSEL-ZDUSSCGKSA-N 1 0 294.395 1.595 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1C ZINC000369701181 369856367 /nfs/dbraw/zinc/85/63/67/369856367.db2.gz DEAGHSFJCLWMJM-OCCSQVGLSA-N 1 0 290.363 1.939 20 10 CDCDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000294209474 370995145 /nfs/dbraw/zinc/99/51/45/370995145.db2.gz QMNWECLUBCDMBC-MRXNPFEDSA-N 1 0 290.363 1.656 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801750 390388353 /nfs/dbraw/zinc/38/83/53/390388353.db2.gz RSIGQQIYGCUPFT-WMLDXEAASA-N 1 0 290.455 1.649 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1O ZINC000122712930 390905868 /nfs/dbraw/zinc/90/58/68/390905868.db2.gz KJJXGYCBZUXVBC-LBPRGKRZSA-N 1 0 278.352 1.453 20 10 CDCDRO CN(C)c1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1F ZINC000131525002 390928347 /nfs/dbraw/zinc/92/83/47/390928347.db2.gz FKLZACSJNLJMKJ-OAHLLOKOSA-N 1 0 283.391 1.294 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1C ZINC000265726717 391161847 /nfs/dbraw/zinc/16/18/47/391161847.db2.gz PAARXCZMLXNBOS-CYBMUJFWSA-N 1 0 262.353 1.672 20 10 CDCDRO COCCCOCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000181523065 391224567 /nfs/dbraw/zinc/22/45/67/391224567.db2.gz SQYLRFAWAGWONA-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000179569355 391212082 /nfs/dbraw/zinc/21/20/82/391212082.db2.gz HSXXMFGHBBZUNV-OAHLLOKOSA-N 1 0 290.407 1.936 20 10 CDCDRO COc1ccc(O)c(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000183399656 391263557 /nfs/dbraw/zinc/26/35/57/391263557.db2.gz MZNIWLKLVLVFCO-CQSZACIVSA-N 1 0 280.368 1.163 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280893292 292165941 /nfs/dbraw/zinc/16/59/41/292165941.db2.gz PGKXLPRXMPMOJI-IHRRRGAJSA-N 1 0 279.380 1.996 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCOCCO ZINC000020198978 171062712 /nfs/dbraw/zinc/06/27/12/171062712.db2.gz GLOOUJWMGSDPGS-NEPJUHHUSA-N 1 0 265.353 1.847 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O ZINC000186089441 262078826 /nfs/dbraw/zinc/07/88/26/262078826.db2.gz VKHHEXYKRRDSKY-KOLCDFICSA-N 1 0 278.327 1.945 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000377027780 268041350 /nfs/dbraw/zinc/04/13/50/268041350.db2.gz IVDKFQRLONZJBJ-AWEZNQCLSA-N 1 0 297.424 1.006 20 10 CDCDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000291614274 279118321 /nfs/dbraw/zinc/11/83/21/279118321.db2.gz RGHPUWZHSVKNDN-IUODEOHRSA-N 1 0 294.370 1.826 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268870744 328075155 /nfs/dbraw/zinc/07/51/55/328075155.db2.gz UIZHOOZHMLLITG-WCQYABFASA-N 1 0 261.369 1.634 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000278855470 327198547 /nfs/dbraw/zinc/19/85/47/327198547.db2.gz QRKQBANJTJYEED-SLEUVZQESA-N 1 0 265.353 1.891 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000378367017 329047788 /nfs/dbraw/zinc/04/77/88/329047788.db2.gz CPWGCAPQLVRUGA-UHFFFAOYSA-N 1 0 284.363 1.895 20 10 CDCDRO C[C@H]([NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000431019514 330577873 /nfs/dbraw/zinc/57/78/73/330577873.db2.gz PYRBUBDEPBGCJD-JTQLQIEISA-N 1 0 263.341 1.215 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1)OCO2 ZINC000230316772 333316570 /nfs/dbraw/zinc/31/65/70/333316570.db2.gz ZOIPNOODOACLRN-ABAIWWIYSA-N 1 0 277.320 1.778 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134131312 334081743 /nfs/dbraw/zinc/08/17/43/334081743.db2.gz NNYZVZQIGHUYIT-AWEZNQCLSA-N 1 0 262.353 1.299 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1O ZINC000252762920 334390928 /nfs/dbraw/zinc/39/09/28/334390928.db2.gz ZIMBLQLNGZYLDE-LSDHHAIUSA-N 1 0 276.380 1.653 20 10 CDCDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236768462 519817338 /nfs/dbraw/zinc/81/73/38/519817338.db2.gz RSRFFAMNJPOMNL-HNNXBMFYSA-N 1 0 291.395 1.123 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1OC ZINC000274992692 520430613 /nfs/dbraw/zinc/43/06/13/520430613.db2.gz ZFZFKYCWQINEGY-LNSITVRQSA-N 1 0 281.352 1.683 20 10 CDCDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236970470 520719572 /nfs/dbraw/zinc/71/95/72/520719572.db2.gz QEKUPIBUGZMWTL-OAHLLOKOSA-N 1 0 291.395 1.267 20 10 CDCDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000062972678 520870730 /nfs/dbraw/zinc/87/07/30/520870730.db2.gz YJLIXBCYKIZIOU-HNNXBMFYSA-N 1 0 275.396 1.754 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278460974 520895642 /nfs/dbraw/zinc/89/56/42/520895642.db2.gz ZVUCBPKWHATXGY-GJZGRUSLSA-N 1 0 264.369 1.070 20 10 CDCDRO CC[N@H+](CCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000248111373 521098998 /nfs/dbraw/zinc/09/89/98/521098998.db2.gz KIBLGMXBDMZLFL-UHFFFAOYSA-N 1 0 293.411 1.025 20 10 CDCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000278552717 521653344 /nfs/dbraw/zinc/65/33/44/521653344.db2.gz VXEJSTYYCFCSEF-BZUNDVKYSA-N 1 0 265.353 1.973 20 10 CDCDRO COc1c(O)c(C[N@H+](C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000278334927 521864851 /nfs/dbraw/zinc/86/48/51/521864851.db2.gz ZTPYYAWCABMSRF-UHFFFAOYSA-N 1 0 284.312 1.512 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276637613 522100719 /nfs/dbraw/zinc/10/07/19/522100719.db2.gz ULTJSVJXYUDJEN-ZJUUUORDSA-N 1 0 296.342 1.840 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1F ZINC000127219931 522180175 /nfs/dbraw/zinc/18/01/75/522180175.db2.gz HQSKXIHJWGNCDY-LBPRGKRZSA-N 1 0 252.333 1.706 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1ccccc1O ZINC000289385040 523698005 /nfs/dbraw/zinc/69/80/05/523698005.db2.gz DALJIWICBHPJCM-UHFFFAOYSA-N 1 0 252.358 1.402 20 10 CDCDRO CNC(=O)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000264937166 524064529 /nfs/dbraw/zinc/06/45/29/524064529.db2.gz DTFBHWOLGKOUPT-UHFFFAOYSA-N 1 0 256.733 1.661 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1C ZINC000280249345 524072015 /nfs/dbraw/zinc/07/20/15/524072015.db2.gz ITDGDKVHLLSVQL-HUUCEWRRSA-N 1 0 279.380 1.738 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1O ZINC000228094661 524433866 /nfs/dbraw/zinc/43/38/66/524433866.db2.gz PQGPFXGZAAQNJY-RISCZKNCSA-N 1 0 251.326 1.330 20 10 CDCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000263732608 524501061 /nfs/dbraw/zinc/50/10/61/524501061.db2.gz QBGRBMNOZPSEFF-CYBMUJFWSA-N 1 0 275.396 1.711 20 10 CDCDRO C[C@H]1CN(c2ccc(CNC(N)=[NH2+])cc2F)C[C@H](C)O1 ZINC000263979417 524669077 /nfs/dbraw/zinc/66/90/77/524669077.db2.gz QQLLDCKTHVEGPM-UWVGGRQHSA-N 1 0 280.347 1.422 20 10 CDCDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1O ZINC000278458387 525421788 /nfs/dbraw/zinc/42/17/88/525421788.db2.gz MHYSHAKMXIYCHV-CYBMUJFWSA-N 1 0 276.380 1.908 20 10 CDCDRO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000130771610 525743379 /nfs/dbraw/zinc/74/33/79/525743379.db2.gz TXLCVECVHQDLSO-ZDUSSCGKSA-N 1 0 264.369 1.336 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000280516917 525957927 /nfs/dbraw/zinc/95/79/27/525957927.db2.gz QQKXQKXAMCPUPY-LBPRGKRZSA-N 1 0 251.326 1.604 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000237895694 527475257 /nfs/dbraw/zinc/47/52/57/527475257.db2.gz YBDQIYLCFICGQQ-OAHLLOKOSA-N 1 0 287.407 1.756 20 10 CDCDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000729286577 574745516 /nfs/dbraw/zinc/74/55/16/574745516.db2.gz DOQZUHYDEZPLOK-HNNXBMFYSA-N 1 0 287.407 1.855 20 10 CDCDRO CCOc1ccc(CN2CC[NH+](CC)CC2)c(O)c1 ZINC000768139612 575123358 /nfs/dbraw/zinc/12/33/58/575123358.db2.gz TUPXZZJCKUXIAL-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000770378189 575442831 /nfs/dbraw/zinc/44/28/31/575442831.db2.gz DYVOBNCZYBTFQE-WBVHZDCISA-N 1 0 290.407 1.726 20 10 CDCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCNC1=O ZINC000770383440 575444005 /nfs/dbraw/zinc/44/40/05/575444005.db2.gz VIZRKPZPEPBMRA-JTQLQIEISA-N 1 0 299.168 1.475 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000773889582 575843161 /nfs/dbraw/zinc/84/31/61/575843161.db2.gz YCJQCIYCVUTSJR-GOEBONIOSA-N 1 0 260.381 1.957 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000765795585 576056609 /nfs/dbraw/zinc/05/66/09/576056609.db2.gz KDDNUAQWJJCMHJ-GHMZBOCLSA-N 1 0 292.335 1.125 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(CNC(C)=O)CC1 ZINC000769058214 576325677 /nfs/dbraw/zinc/32/56/77/576325677.db2.gz AOLIHYXTAXCGTK-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCN2CCOCC2)c(O)c1 ZINC000769307792 576344225 /nfs/dbraw/zinc/34/42/25/576344225.db2.gz JCEPNZRYFNAZKM-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000763954670 576768404 /nfs/dbraw/zinc/76/84/04/576768404.db2.gz RELLKRSPTZVLAZ-IUODEOHRSA-N 1 0 275.396 1.709 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000747855067 576887190 /nfs/dbraw/zinc/88/71/90/576887190.db2.gz YZRWJVXVSFMWGZ-UHFFFAOYSA-N 1 0 280.368 1.457 20 10 CDCDRO O=C(NCCC[NH+]1CCCC1)NCc1ccccc1O ZINC000748452116 576912908 /nfs/dbraw/zinc/91/29/08/576912908.db2.gz XCWWVTYXKVEWRO-UHFFFAOYSA-N 1 0 277.368 1.677 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000757663533 577049517 /nfs/dbraw/zinc/04/95/17/577049517.db2.gz CBVROKSKVSKPSN-RISCZKNCSA-N 1 0 289.379 1.674 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCCC(C)(C)[NH3+])cc1F ZINC000891455953 617419935 /nfs/dbraw/zinc/41/99/35/617419935.db2.gz ICGNBALLBHEANS-UHFFFAOYSA-N 1 0 296.390 1.818 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1O ZINC000892097857 617480289 /nfs/dbraw/zinc/48/02/89/617480289.db2.gz SRTNHQPRVBWKAO-IJLUTSLNSA-N 1 0 277.368 1.893 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)CC(C)C)c(O)c1OC ZINC000892669029 617575609 /nfs/dbraw/zinc/57/56/09/617575609.db2.gz OORFMWDRVXYDTM-GFCCVEGCSA-N 1 0 283.368 1.906 20 10 CDCDRO COc1ccc(C[NH2+]C(C)(C)CO)c(O)c1OC ZINC000893344231 617611430 /nfs/dbraw/zinc/61/14/30/617611430.db2.gz SFOTVAKGCKFWSX-UHFFFAOYSA-N 1 0 255.314 1.270 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000840937449 617612418 /nfs/dbraw/zinc/61/24/18/617612418.db2.gz JYHSXNUEQBTRTG-UHFFFAOYSA-N 1 0 298.390 1.845 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841656092 617661657 /nfs/dbraw/zinc/66/16/57/617661657.db2.gz VYLVGOKHQPSLRC-NSHDSACASA-N 1 0 264.373 1.289 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@H]2O)cc1OC ZINC000822504710 618549684 /nfs/dbraw/zinc/54/96/84/618549684.db2.gz XEWKOBLOHXXCPR-NXEZZACHSA-N 1 0 253.298 1.022 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CNCCO1 ZINC000841100860 618682542 /nfs/dbraw/zinc/68/25/42/618682542.db2.gz MJBPGHMJRZLFQW-OAHLLOKOSA-N 1 0 263.385 1.139 20 10 CDCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(OC)c(OC)cc1O ZINC000843057754 618692014 /nfs/dbraw/zinc/69/20/14/618692014.db2.gz HXQFXDDUYNTQJR-CYBMUJFWSA-N 1 0 294.395 1.983 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000877693632 618701330 /nfs/dbraw/zinc/70/13/30/618701330.db2.gz MKNNOIYURWYVOO-WRWORJQWSA-N 1 0 279.258 1.802 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)C(C)(C)C)cc1 ZINC000843298295 618701801 /nfs/dbraw/zinc/70/18/01/618701801.db2.gz LXQWZDBWGMRCHE-ZDUSSCGKSA-N 1 0 291.395 1.484 20 10 CDCDRO COC[C@](C)(CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894327068 618776277 /nfs/dbraw/zinc/77/62/77/618776277.db2.gz SWMBNKBHFLYPSW-HNNXBMFYSA-N 1 0 283.368 1.586 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@H](C)CO)c(O)c1OC ZINC000894463494 618898905 /nfs/dbraw/zinc/89/89/05/618898905.db2.gz HYROAYVTMBVONJ-SECBINFHSA-N 1 0 255.314 1.222 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000894983320 619182973 /nfs/dbraw/zinc/18/29/73/619182973.db2.gz BQIVJBQSXPWZEX-LLVKDONJSA-N 1 0 278.352 1.325 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)C2(CO)CCOCC2)c1O ZINC000895358167 619599487 /nfs/dbraw/zinc/59/94/87/619599487.db2.gz VGTSSDBZODDIAK-UHFFFAOYSA-N 1 0 295.379 1.683 20 10 CDCDRO COc1cccc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1O ZINC000895576849 619734651 /nfs/dbraw/zinc/73/46/51/619734651.db2.gz UHOJTLPIEUGKSD-OKILXGFUSA-N 1 0 290.363 1.311 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2)c(O)c1OC ZINC000895666100 619794045 /nfs/dbraw/zinc/79/40/45/619794045.db2.gz KFQZNGMSLOLPKH-XYPYZODXSA-N 1 0 267.325 1.676 20 10 CDCDRO CO[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000895969075 619927293 /nfs/dbraw/zinc/92/72/93/619927293.db2.gz WMKHDCLEKXIXBV-AWEZNQCLSA-N 1 0 251.326 1.814 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000896387560 620081805 /nfs/dbraw/zinc/08/18/05/620081805.db2.gz UAGYCRNPEOIMJY-LLVKDONJSA-N 1 0 279.336 1.596 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000897466389 620843777 /nfs/dbraw/zinc/84/37/77/620843777.db2.gz SYYVFKPAONPXOJ-CYBMUJFWSA-N 1 0 291.395 1.842 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC000897684437 621072536 /nfs/dbraw/zinc/07/25/36/621072536.db2.gz OYSIBEFBCCBQRY-QPUJVOFHSA-N 1 0 286.169 1.967 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2COCC[C@H]2OC)cc1OC ZINC000897891338 621196820 /nfs/dbraw/zinc/19/68/20/621196820.db2.gz BKIDPBMYXIGKQP-DGCLKSJQSA-N 1 0 297.351 1.303 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841084968 628055414 /nfs/dbraw/zinc/05/54/14/628055414.db2.gz RCKMOYHQUSGVMN-GXSJLCMTSA-N 1 0 295.339 1.526 20 10 CDCDRO C[N@H+](CCNC(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000841809898 628645572 /nfs/dbraw/zinc/64/55/72/628645572.db2.gz CQDXGEOZSNUYAW-UHFFFAOYSA-N 1 0 276.384 1.205 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCN(C)CC2)c1O ZINC000915795077 631818933 /nfs/dbraw/zinc/81/89/33/631818933.db2.gz OSSKYKORKKMWJR-UHFFFAOYSA-N 1 0 264.369 1.847 20 10 CDCDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921724409 633243550 /nfs/dbraw/zinc/24/35/50/633243550.db2.gz IZSQDUOXSQYJLC-MRXNPFEDSA-N 1 0 289.423 1.347 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921764246 633277683 /nfs/dbraw/zinc/27/76/83/633277683.db2.gz HRLSFIWNTDYKNV-CQSZACIVSA-N 1 0 265.353 1.499 20 10 CDCDRO C[NH2+]C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052932 682807514 /nfs/dbraw/zinc/80/75/14/682807514.db2.gz PEQVHNOEALUBCY-CYBMUJFWSA-N 1 0 265.376 1.933 20 10 CDCDRO C[NH2+][C@@H]1CCCN(Cc2c(O)cccc2OC)C1 ZINC000843048544 683603029 /nfs/dbraw/zinc/60/30/29/683603029.db2.gz GJSWEVPIQSVGPR-LLVKDONJSA-N 1 0 250.342 1.585 20 10 CDCDRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000841827373 684007952 /nfs/dbraw/zinc/00/79/52/684007952.db2.gz MVHFINLDOJIOFG-CQSZACIVSA-N 1 0 290.411 1.564 20 10 CDCDRO CC[C@](C)([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272488 679702034 /nfs/dbraw/zinc/70/20/34/679702034.db2.gz XODQYLXULZMCEM-HNNXBMFYSA-N 1 0 273.384 1.976 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C ZINC000840910019 679721121 /nfs/dbraw/zinc/72/11/21/679721121.db2.gz JKEHQEKBZODQKN-UHFFFAOYSA-N 1 0 277.412 1.971 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000851682938 679724984 /nfs/dbraw/zinc/72/49/84/679724984.db2.gz XBFBJYBISJTMEC-LLVKDONJSA-N 1 0 291.395 1.678 20 10 CDCDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000862792919 684199916 /nfs/dbraw/zinc/19/99/16/684199916.db2.gz FWFJMBXSYZTXLL-JTQLQIEISA-N 1 0 268.382 1.915 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882402 679750619 /nfs/dbraw/zinc/75/06/19/679750619.db2.gz YNEFGHQLTUSXRH-TZMCWYRMSA-N 1 0 290.411 1.865 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000840934910 679759503 /nfs/dbraw/zinc/75/95/03/679759503.db2.gz ZHFPQVPETSZZON-QGZVFWFLSA-N 1 0 290.455 1.396 20 10 CDCDRO COCCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876555898 679768449 /nfs/dbraw/zinc/76/84/49/679768449.db2.gz FGSGLKLMJZYWBF-UHFFFAOYSA-N 1 0 264.369 1.465 20 10 CDCDRO C[NH2+]C[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000843044044 679776451 /nfs/dbraw/zinc/77/64/51/679776451.db2.gz AXOSKVFGANMIHF-GFCCVEGCSA-N 1 0 294.395 1.841 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886229904 679786282 /nfs/dbraw/zinc/78/62/82/679786282.db2.gz XNRJZFOBIMKMAK-VXGBXAGGSA-N 1 0 281.352 1.420 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000817410852 679787696 /nfs/dbraw/zinc/78/76/96/679787696.db2.gz IQIMQJIXRAAUAK-UHFFFAOYSA-N 1 0 298.770 1.799 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000840974821 679823617 /nfs/dbraw/zinc/82/36/17/679823617.db2.gz HVBAGSMOEVVPLF-GOEBONIOSA-N 1 0 278.396 1.236 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CCF)cc1F ZINC000846095919 679828426 /nfs/dbraw/zinc/82/84/26/679828426.db2.gz CMIXKYAWYYYYHZ-LLVKDONJSA-N 1 0 258.312 1.702 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c(O)c1 ZINC000818000981 679828439 /nfs/dbraw/zinc/82/84/39/679828439.db2.gz WUIYKGSWENWRDM-ZWNOBZJWSA-N 1 0 278.352 1.405 20 10 CDCDRO COCC(COC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000388489078 679830135 /nfs/dbraw/zinc/83/01/35/679830135.db2.gz FODLQLDVABOQLM-VIFPVBQESA-N 1 0 257.305 1.843 20 10 CDCDRO CON(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665200 679832446 /nfs/dbraw/zinc/83/24/46/679832446.db2.gz IARRGNZXGNXNHW-UHFFFAOYSA-N 1 0 292.383 1.141 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000222006857 679839612 /nfs/dbraw/zinc/83/96/12/679839612.db2.gz HNDSTMRLLVMUKV-LBPRGKRZSA-N 1 0 299.440 1.343 20 10 CDCDRO CCOc1cccc(CNC[C@@H]2C[NH2+]CCCO2)c1O ZINC000841086069 679841852 /nfs/dbraw/zinc/84/18/52/679841852.db2.gz LMOJEUBRZZJQKQ-ZDUSSCGKSA-N 1 0 280.368 1.259 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000775984961 679842024 /nfs/dbraw/zinc/84/20/24/679842024.db2.gz IRJOZIJPJKFARO-RYUDHWBXSA-N 1 0 264.369 1.925 20 10 CDCDRO OCCCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000779016869 679843901 /nfs/dbraw/zinc/84/39/01/679843901.db2.gz UWCJKELJSISUPP-UHFFFAOYSA-N 1 0 282.359 1.421 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[N@H+](CCO)C3CC3)cc2)CC1 ZINC000775652756 679844795 /nfs/dbraw/zinc/84/47/95/679844795.db2.gz RFOWVZGAMPTDOF-UHFFFAOYSA-N 1 0 289.423 1.395 20 10 CDCDRO COc1ccc(N2CCN(C(=O)CCCC[NH3+])CC2)cc1 ZINC000070201585 679846909 /nfs/dbraw/zinc/84/69/09/679846909.db2.gz DEZLZJGVBYYPJM-UHFFFAOYSA-N 1 0 291.395 1.473 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c(O)c1C ZINC000858601663 679850385 /nfs/dbraw/zinc/85/03/85/679850385.db2.gz IDIZMRRPZUUKSW-KGLIPLIRSA-N 1 0 278.396 1.726 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1O ZINC000864052229 679859608 /nfs/dbraw/zinc/85/96/08/679859608.db2.gz FLIWHOKLYOQGNS-ZDUSSCGKSA-N 1 0 262.353 1.569 20 10 CDCDRO CCOc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(O)c1 ZINC000843049391 679860486 /nfs/dbraw/zinc/86/04/86/679860486.db2.gz MSGUXAIAVPTENW-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000841955928 679862356 /nfs/dbraw/zinc/86/23/56/679862356.db2.gz RMTPCQUSULSNKK-UONOGXRCSA-N 1 0 276.384 1.380 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)OCCO ZINC000808437245 679865118 /nfs/dbraw/zinc/86/51/18/679865118.db2.gz DFBAGSZTLQZPHJ-UHFFFAOYSA-N 1 0 269.341 1.278 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000783729487 682014419 /nfs/dbraw/zinc/01/44/19/682014419.db2.gz NDZUSLPRMSRMTQ-AWEZNQCLSA-N 1 0 265.353 1.994 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000702614571 682119444 /nfs/dbraw/zinc/11/94/44/682119444.db2.gz MCVGNEAGIHSSIN-HNNXBMFYSA-N 1 0 264.369 1.111 20 10 CDCDRO COC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000034961226 681235406 /nfs/dbraw/zinc/23/54/06/681235406.db2.gz XZTGVEIINCWHSR-SECBINFHSA-N 1 0 253.298 1.615 20 10 CDCDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)[C@@H](C)[NH3+] ZINC000399618733 681235462 /nfs/dbraw/zinc/23/54/62/681235462.db2.gz YJJUDVJCUSYODX-RISCZKNCSA-N 1 0 264.369 1.970 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN(C)CCS(C)(=O)=O ZINC000840909525 681554107 /nfs/dbraw/zinc/55/41/07/681554107.db2.gz DXQAASQGMWVLMK-UHFFFAOYSA-N 1 0 284.425 1.537 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)CC1=O ZINC000824886734 681722531 /nfs/dbraw/zinc/72/25/31/681722531.db2.gz JXYWENDSOAAFHH-ZDUSSCGKSA-N 1 0 262.353 1.719 20 10 CDCDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccccc1O ZINC000870988534 681756754 /nfs/dbraw/zinc/75/67/54/681756754.db2.gz RYHSIOYHMWGCIL-NSHDSACASA-N 1 0 250.342 1.958 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000876739343 681812471 /nfs/dbraw/zinc/81/24/71/681812471.db2.gz OWBNBNPPAVWTLB-RYUDHWBXSA-N 1 0 285.409 1.954 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817410804 681832732 /nfs/dbraw/zinc/83/27/32/681832732.db2.gz HLKYIDNEZJMXDQ-SNVBAGLBSA-N 1 0 278.352 1.707 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])CC2CC2)cc1F ZINC000884205472 681844639 /nfs/dbraw/zinc/84/46/39/681844639.db2.gz XTQNHHVLZYHGEV-CYBMUJFWSA-N 1 0 279.359 1.635 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1O ZINC000249835555 681849043 /nfs/dbraw/zinc/84/90/43/681849043.db2.gz FJSQIGRGRFPAFQ-MWLCHTKSSA-N 1 0 265.309 1.324 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)N(C)C ZINC000824988658 681849327 /nfs/dbraw/zinc/84/93/27/681849327.db2.gz QNXOZPUAXKHMRG-ZDUSSCGKSA-N 1 0 295.402 1.702 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1cc(F)ccc1O ZINC000886744645 681872856 /nfs/dbraw/zinc/87/28/56/681872856.db2.gz COCJRMJNNOQFBN-SECBINFHSA-N 1 0 267.304 1.207 20 10 CDCDRO [NH3+]CC[C@@H](NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000841090211 681937018 /nfs/dbraw/zinc/93/70/18/681937018.db2.gz GXIRIYGUFFUWPF-GFCCVEGCSA-N 1 0 274.286 1.991 20 10 CDCDRO C[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000706821362 681975371 /nfs/dbraw/zinc/97/53/71/681975371.db2.gz DDSXELVZBHSBTI-ZETCQYMHSA-N 1 0 260.131 1.625 20 10 CDCDRO COc1cccc(O)c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127746 681981407 /nfs/dbraw/zinc/98/14/07/681981407.db2.gz SXXMIESPAOAYDT-WCQYABFASA-N 1 0 262.353 1.585 20 10 CDCDRO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823766 681983775 /nfs/dbraw/zinc/98/37/75/681983775.db2.gz KPYTUCQDPMCVGC-GFCCVEGCSA-N 1 0 250.342 1.724 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1Cl ZINC000825385215 682083146 /nfs/dbraw/zinc/08/31/46/682083146.db2.gz VPITVHRFDUKKPD-VIFPVBQESA-N 1 0 291.800 1.877 20 10 CDCDRO Cc1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)c(O)c1 ZINC000877613800 682091828 /nfs/dbraw/zinc/09/18/28/682091828.db2.gz CEVCFVJVYOZFNE-HNNXBMFYSA-N 1 0 265.353 1.722 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c(O)c1 ZINC000886294752 682180055 /nfs/dbraw/zinc/18/00/55/682180055.db2.gz ODKBDIRIQZLANE-GXFFZTMASA-N 1 0 299.392 1.314 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C[C@H](O)C2CC2)cc1OC ZINC000809752474 682241333 /nfs/dbraw/zinc/24/13/33/682241333.db2.gz SKKSSEXXFZWMPV-ZDUSSCGKSA-N 1 0 281.352 1.612 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000858283240 682244718 /nfs/dbraw/zinc/24/47/18/682244718.db2.gz ZZVUEQDTZCZHQS-ZDUSSCGKSA-N 1 0 291.395 1.842 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827131862 682315865 /nfs/dbraw/zinc/31/58/65/682315865.db2.gz DWQNNRWXMDRRSY-TZMCWYRMSA-N 1 0 274.364 1.801 20 10 CDCDRO CN1CCC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000040672464 682324506 /nfs/dbraw/zinc/32/45/06/682324506.db2.gz ZIIGTQPTGCGXPI-MRXNPFEDSA-N 1 0 289.423 1.707 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCNC2=O)cc1Cl ZINC000824943416 682436899 /nfs/dbraw/zinc/43/68/99/682436899.db2.gz NGBNZVZZWNRGII-NSHDSACASA-N 1 0 268.744 1.674 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)CC1CC1 ZINC000877109755 682488988 /nfs/dbraw/zinc/48/89/88/682488988.db2.gz FLOVOFMPRNHJTG-UHFFFAOYSA-N 1 0 283.393 1.615 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000935945953 682489117 /nfs/dbraw/zinc/48/91/17/682489117.db2.gz QZTQBELCCQKMHC-NSHDSACASA-N 1 0 283.368 1.446 20 10 CDCDRO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2CO)ccc1N(C)C ZINC000879000712 682648217 /nfs/dbraw/zinc/64/82/17/682648217.db2.gz IAORAIUDFJZDIY-HNNXBMFYSA-N 1 0 277.412 1.169 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)C(C)C ZINC000840946884 682729336 /nfs/dbraw/zinc/72/93/36/682729336.db2.gz PZEFIWHFBUTQTH-UHFFFAOYSA-N 1 0 298.452 1.974 20 10 CDCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266757 682734414 /nfs/dbraw/zinc/73/44/14/682734414.db2.gz BJCUXMSMLAKBHU-JSGCOSHPSA-N 1 0 294.370 1.617 20 10 CDCDRO CS(=O)(=O)CCN(Cc1ccccc1O)C1CC1 ZINC000179583176 682744808 /nfs/dbraw/zinc/74/48/08/682744808.db2.gz GLZKOYNXVHEVHH-UHFFFAOYSA-N 1 0 269.366 1.401 20 10 CDCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCS1(=O)=O ZINC000389099820 682762375 /nfs/dbraw/zinc/76/23/75/682762375.db2.gz IKLLQPSOSWPNBK-BXUZGUMPSA-N 1 0 282.409 1.418 20 10 CDCDRO CS[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299665 682772763 /nfs/dbraw/zinc/77/27/63/682772763.db2.gz FVCCBEPLBHONDP-GWCFXTLKSA-N 1 0 281.425 1.620 20 10 CDCDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)C)C2)cc(OC)n1 ZINC001015104230 682809626 /nfs/dbraw/zinc/80/96/26/682809626.db2.gz REKWMLRGSFSEKW-LBPRGKRZSA-N 1 0 293.367 1.311 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000829764177 682823232 /nfs/dbraw/zinc/82/32/32/682823232.db2.gz HFYNZFWANGZWCJ-HNNXBMFYSA-N 1 0 291.395 1.056 20 10 CDCDRO COc1cccc(O)c1CN[C@@H](C)c1nc(C)no1 ZINC000792176562 682832582 /nfs/dbraw/zinc/83/25/82/682832582.db2.gz HREIDNLCSFBOJB-QMMMGPOBSA-N 1 0 263.297 1.943 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000778994410 683049847 /nfs/dbraw/zinc/04/98/47/683049847.db2.gz CRXYTIGJPAPDNP-HNNXBMFYSA-N 1 0 276.380 1.689 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852495197 683054341 /nfs/dbraw/zinc/05/43/41/683054341.db2.gz KFOAVXCATLQKMQ-HOCLYGCPSA-N 1 0 287.407 1.853 20 10 CDCDRO CN1CCCc2cc(CNC(=O)CC(C)(C)[NH3+])ccc21 ZINC000237093035 683064998 /nfs/dbraw/zinc/06/49/98/683064998.db2.gz UUVROHJKNIOXAP-UHFFFAOYSA-N 1 0 275.396 1.813 20 10 CDCDRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841762027 683071741 /nfs/dbraw/zinc/07/17/41/683071741.db2.gz UEHWXMBVLNJBNC-LLVKDONJSA-N 1 0 296.390 1.818 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000852811504 683080077 /nfs/dbraw/zinc/08/00/77/683080077.db2.gz OQTZMQLXFZOLCS-AWEZNQCLSA-N 1 0 276.380 1.885 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000883900270 683094202 /nfs/dbraw/zinc/09/42/02/683094202.db2.gz HAEWMPCGIYLCRU-ZDUSSCGKSA-N 1 0 277.368 1.594 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)cc1 ZINC000396728728 683179424 /nfs/dbraw/zinc/17/94/24/683179424.db2.gz NVKGUVKGLLFMLI-ZDUSSCGKSA-N 1 0 261.369 1.511 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)c2c1c(F)ccc2O ZINC000886745231 683221486 /nfs/dbraw/zinc/22/14/86/683221486.db2.gz RKEXEXHEVXRKAO-KOLCDFICSA-N 1 0 293.342 1.694 20 10 CDCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000823752130 683233227 /nfs/dbraw/zinc/23/32/27/683233227.db2.gz CEWYQZFLBOSJOR-UHFFFAOYSA-N 1 0 272.352 1.831 20 10 CDCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ncc[nH]1 ZINC000817941845 683241967 /nfs/dbraw/zinc/24/19/67/683241967.db2.gz LCKYBLWHGQPJNW-FZMZJTMJSA-N 1 0 273.384 1.826 20 10 CDCDRO COC(=O)CC1CC([NH2+]Cc2cccc(OC)c2O)C1 ZINC000822481839 683250684 /nfs/dbraw/zinc/25/06/84/683250684.db2.gz VIDSXHJNYXGSMR-UHFFFAOYSA-N 1 0 279.336 1.832 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CC2(C)COC2)c1 ZINC000862476492 683258904 /nfs/dbraw/zinc/25/89/04/683258904.db2.gz BBPXROAHKUMBCC-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000797415329 683261123 /nfs/dbraw/zinc/26/11/23/683261123.db2.gz UPRGGOAMIBRMRO-MRXNPFEDSA-N 1 0 292.379 1.667 20 10 CDCDRO OCCC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000825338343 683262517 /nfs/dbraw/zinc/26/25/17/683262517.db2.gz ONNMGAJOTHYUAS-NSHDSACASA-N 1 0 279.336 1.715 20 10 CDCDRO COc1cccc(CNC(=O)CC[NH2+]C(C)(C)C)c1O ZINC000934940107 683347203 /nfs/dbraw/zinc/34/72/03/683347203.db2.gz IATJMTBDIMQDRO-UHFFFAOYSA-N 1 0 280.368 1.795 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876742525 683398376 /nfs/dbraw/zinc/39/83/76/683398376.db2.gz YBWURIHRDKLJBB-GFCCVEGCSA-N 1 0 275.396 1.683 20 10 CDCDRO COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000832178436 683399768 /nfs/dbraw/zinc/39/97/68/683399768.db2.gz RYBBBGTYFFNMRM-JTQLQIEISA-N 1 0 264.325 1.017 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000040620420 683427111 /nfs/dbraw/zinc/42/71/11/683427111.db2.gz MECQABBKHXLVDN-CQSZACIVSA-N 1 0 275.396 1.658 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N2CCOCC2)cc1 ZINC000843065880 683598124 /nfs/dbraw/zinc/59/81/24/683598124.db2.gz RAFKTKIVCOOHNZ-GASCZTMLSA-N 1 0 289.423 1.705 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CNCCO2)c1 ZINC000817983257 683646820 /nfs/dbraw/zinc/64/68/20/683646820.db2.gz LGISCAKTCMCQPL-NWDGAFQWSA-N 1 0 250.342 1.340 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1 ZINC000180784133 683654510 /nfs/dbraw/zinc/65/45/10/683654510.db2.gz OCTWPPASZMJLMP-ZDUSSCGKSA-N 1 0 292.379 1.701 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841943556 683688234 /nfs/dbraw/zinc/68/82/34/683688234.db2.gz QHNIDVXKWZVBFR-LBPRGKRZSA-N 1 0 263.341 1.286 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCCN(C=O)CC2)cc1C ZINC000827871444 683707862 /nfs/dbraw/zinc/70/78/62/683707862.db2.gz ANUGJEGONJAHEK-UHFFFAOYSA-N 1 0 262.353 1.673 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922101063 683799075 /nfs/dbraw/zinc/79/90/75/683799075.db2.gz STTAQZNFPQZCFN-IAQYHMDHSA-N 1 0 274.364 1.626 20 10 CDCDRO Cc1cc(Cn2cc(CCC[NH3+])nn2)ccc1N(C)C ZINC000881377752 683807175 /nfs/dbraw/zinc/80/71/75/683807175.db2.gz UDUJBUIJSXTOKW-UHFFFAOYSA-N 1 0 273.384 1.592 20 10 CDCDRO c1cc(C[NH2+]CCN2CCOCC2)cc2c1OCC2 ZINC000037362670 683825514 /nfs/dbraw/zinc/82/55/14/683825514.db2.gz NCTHEABEGCDSIQ-UHFFFAOYSA-N 1 0 262.353 1.043 20 10 CDCDRO CN(C)c1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000881272510 683863275 /nfs/dbraw/zinc/86/32/75/683863275.db2.gz YHFQEXRCOWDZHV-OAHLLOKOSA-N 1 0 299.422 1.935 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c(O)c1 ZINC000877021593 683876784 /nfs/dbraw/zinc/87/67/84/683876784.db2.gz GRVQEPWCIOAOKF-LSDHHAIUSA-N 1 0 276.380 1.653 20 10 CDCDRO COc1cccnc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000825249290 683882403 /nfs/dbraw/zinc/88/24/03/683882403.db2.gz AHXPGGREEWSYDI-UHFFFAOYSA-N 1 0 288.303 1.814 20 10 CDCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883090043 683884621 /nfs/dbraw/zinc/88/46/21/683884621.db2.gz AUQFGMRGEUIQMN-UFFNRZRYSA-N 1 0 251.326 1.818 20 10 CDCDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000779217188 683951254 /nfs/dbraw/zinc/95/12/54/683951254.db2.gz QNRVUKGVZZBBEV-QGZVFWFLSA-N 1 0 290.407 1.870 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccccc2O)C1 ZINC000838059470 683983896 /nfs/dbraw/zinc/98/38/96/683983896.db2.gz BJPDMWMZBGCOMR-ZDUSSCGKSA-N 1 0 291.395 1.923 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000832267349 683999653 /nfs/dbraw/zinc/99/96/53/683999653.db2.gz QTOJSZJXISYNCB-QXSJWSMHSA-N 1 0 287.407 1.915 20 10 CDCDRO CCC1(C[NH2+]Cc2cc(OC)c(OC)cc2O)COC1 ZINC000825078931 684014699 /nfs/dbraw/zinc/01/46/99/684014699.db2.gz GAJGBHILBDZWJV-UHFFFAOYSA-N 1 0 281.352 1.926 20 10 CDCDRO COc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(O)c1 ZINC000794391072 684018076 /nfs/dbraw/zinc/01/80/76/684018076.db2.gz UDGQBFWWLXPFDH-VXGBXAGGSA-N 1 0 292.379 1.890 20 10 CDCDRO COc1ccc(C[NH2+]CCc2nc(C)n[nH]2)c(O)c1OC ZINC000893460298 684025278 /nfs/dbraw/zinc/02/52/78/684025278.db2.gz GRLXUTKZUCQGAB-UHFFFAOYSA-N 1 0 292.339 1.168 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000848908107 684031175 /nfs/dbraw/zinc/03/11/75/684031175.db2.gz NSEWXAGDEZTUJR-KGLIPLIRSA-N 1 0 290.363 1.885 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)[C@H](C)C(=O)N(C)C)cc1 ZINC000844399413 684057693 /nfs/dbraw/zinc/05/76/93/684057693.db2.gz ICYKECDJYOLLTB-CYBMUJFWSA-N 1 0 293.411 1.540 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2cnc(N(C)C)n2C)c1 ZINC000840898756 684098686 /nfs/dbraw/zinc/09/86/86/684098686.db2.gz RKPRDHVFPYMTKQ-UHFFFAOYSA-N 1 0 290.367 1.490 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159714563 684102484 /nfs/dbraw/zinc/10/24/84/684102484.db2.gz WPAKCXWJIOUDSW-UHFFFAOYSA-N 1 0 275.396 1.840 20 10 CDCDRO CC1=CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000797822207 684103504 /nfs/dbraw/zinc/10/35/04/684103504.db2.gz MABSZLFSNKKREW-CQSZACIVSA-N 1 0 261.321 1.970 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164604125 684104126 /nfs/dbraw/zinc/10/41/26/684104126.db2.gz CRAPJHXWCUMNOT-UHFFFAOYSA-N 1 0 264.369 1.967 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)CN1CC[NH2+]CC1 ZINC000876633788 684128761 /nfs/dbraw/zinc/12/87/61/684128761.db2.gz XLEPOFJQZKUMAP-UHFFFAOYSA-N 1 0 291.395 1.036 20 10 CDCDRO CC[NH+](CC)CC(=O)N(C)Cc1ccccc1O ZINC000063767174 684141035 /nfs/dbraw/zinc/14/10/35/684141035.db2.gz IMRQAQTZRKVAFR-UHFFFAOYSA-N 1 0 250.342 1.692 20 10 CDCDRO [NH3+]C1(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000843489931 684163847 /nfs/dbraw/zinc/16/38/47/684163847.db2.gz NTMTVDVSPGYVHV-UHFFFAOYSA-N 1 0 260.337 1.379 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000775983098 684166577 /nfs/dbraw/zinc/16/65/77/684166577.db2.gz BBZBYQPOLZVXJF-RYUDHWBXSA-N 1 0 264.369 1.925 20 10 CDCDRO CCOc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC000843049389 684175672 /nfs/dbraw/zinc/17/56/72/684175672.db2.gz MSGUXAIAVPTENW-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000691527929 1162656090 /nfs/dbraw/zinc/65/60/90/1162656090.db2.gz VNWYHGYFISIUNG-QGHHPUGFSA-N 1 0 255.383 1.811 20 10 CDCDRO Cc1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c(O)c1 ZINC001140953517 1159547237 /nfs/dbraw/zinc/54/72/37/1159547237.db2.gz AVFKRMVQZTWAJZ-ZIAGYGMSSA-N 1 0 290.407 1.994 20 10 CDCDRO COc1ccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000020534917 1171427312 /nfs/dbraw/zinc/42/73/12/1171427312.db2.gz MXLSMCSAPGOJED-MRXNPFEDSA-N 1 0 289.423 1.911 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC001579638503 1172231074 /nfs/dbraw/zinc/23/10/74/1172231074.db2.gz ZTVMHHSFQFLUMJ-IINYFYTJSA-N 1 0 284.787 1.902 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(O)c1O ZINC001579661187 1172235757 /nfs/dbraw/zinc/23/57/57/1172235757.db2.gz MKJWBQWNXNETFB-KOLCDFICSA-N 1 0 278.352 1.606 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@@H]([NH3+])Cc2ccncc2)c1 ZINC001579723360 1172247287 /nfs/dbraw/zinc/24/72/87/1172247287.db2.gz KLZRCBKJFPBLEK-AWEZNQCLSA-N 1 0 285.347 1.282 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1O ZINC000219446467 1177900984 /nfs/dbraw/zinc/90/09/84/1177900984.db2.gz JIESFRIWLIVVCT-VIFPVBQESA-N 1 0 251.204 1.111 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC000391492845 1187277033 /nfs/dbraw/zinc/27/70/33/1187277033.db2.gz QHCIZFWDDKAHAZ-OAHLLOKOSA-N 1 0 287.407 1.997 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCCOCC2)cc1O ZINC001170777343 1164109548 /nfs/dbraw/zinc/10/95/48/1164109548.db2.gz XMOOSSZBVTYMBT-LLVKDONJSA-N 1 0 267.325 1.505 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1c(C)cccc1O ZINC000877525487 1166052619 /nfs/dbraw/zinc/05/26/19/1166052619.db2.gz FJDBOQYWEDLNPL-UHFFFAOYSA-N 1 0 266.385 1.711 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CC[C@]3([NH3+])C2)c(Cl)c1 ZINC001235995607 914514086 /nfs/dbraw/zinc/51/40/86/914514086.db2.gz VKGAVGHBMSSVBK-OTYXRUKQSA-N 1 0 282.771 1.977 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@@H]([NH3+])C2)c(Cl)c1 ZINC001236170405 914723087 /nfs/dbraw/zinc/72/30/87/914723087.db2.gz JNNDXABRTPOLKF-LLVKDONJSA-N 1 0 253.777 1.939 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cnc(C)n2C)c1O ZINC000689210488 907279471 /nfs/dbraw/zinc/27/94/71/907279471.db2.gz DLPVTUYRJVFSGU-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142633325 909659669 /nfs/dbraw/zinc/65/96/69/909659669.db2.gz NRMODMSTGZKRMA-ZDUSSCGKSA-N 1 0 260.337 1.493 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C(=O)C2)cc1 ZINC001172009779 911098030 /nfs/dbraw/zinc/09/80/30/911098030.db2.gz RGWOBDDZFOYRPV-CQSZACIVSA-N 1 0 287.407 1.996 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001120548293 912078582 /nfs/dbraw/zinc/07/85/82/912078582.db2.gz AJDOGJQEGNCKTD-AWEZNQCLSA-N 1 0 276.384 1.552 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206185021 912106229 /nfs/dbraw/zinc/10/62/29/912106229.db2.gz KMKQTCALNRBVIR-ZIAGYGMSSA-N 1 0 281.375 1.719 20 10 CDCDRO C[NH+](C)CCC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689719 915926883 /nfs/dbraw/zinc/92/68/83/915926883.db2.gz WZUUICZPCSUBBP-SOFGYWHQSA-N 1 0 292.379 1.958 20 10 CDCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001179961158 916112942 /nfs/dbraw/zinc/11/29/42/916112942.db2.gz AYDHGNHDADVXHB-HNNXBMFYSA-N 1 0 297.326 1.796 20 10 CDCDRO CC(C)[NH+]1CCN(CC(=O)NCc2ccccc2O)CC1 ZINC001180349456 916274391 /nfs/dbraw/zinc/27/43/91/916274391.db2.gz NQEICSXZWDXSJM-UHFFFAOYSA-N 1 0 291.395 1.034 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001238064079 917787437 /nfs/dbraw/zinc/78/74/37/917787437.db2.gz NWCYHHPSZAEASZ-YPMHNXCESA-N 1 0 269.316 1.015 20 10 CDCDRO COc1cc(CN2CC[C@H]([N@H+](C)C3CC3)C2)cc(O)c1O ZINC001204348335 917982270 /nfs/dbraw/zinc/98/22/70/917982270.db2.gz BZEHVSZUBNSGNQ-ZDUSSCGKSA-N 1 0 292.379 1.775 20 10 CDCDRO C[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CCCN2C ZINC001138358423 936525640 /nfs/dbraw/zinc/52/56/40/936525640.db2.gz QYVPSXUZCUHARB-LBPRGKRZSA-N 1 0 273.380 1.389 20 10 CDCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001205241617 919373979 /nfs/dbraw/zinc/37/39/79/919373979.db2.gz TZFAFCNCWQUNQU-CQSZACIVSA-N 1 0 286.322 1.346 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140178425 936684492 /nfs/dbraw/zinc/68/44/92/936684492.db2.gz LIYSMNUWBBDKBE-UHFFFAOYSA-N 1 0 276.380 1.967 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1O ZINC001140181226 936684858 /nfs/dbraw/zinc/68/48/58/936684858.db2.gz QSPTZJOYRBIZHQ-CWRNSKLLSA-N 1 0 291.391 1.981 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CCN(C)C3=O)c1 ZINC001140624007 936732600 /nfs/dbraw/zinc/73/26/00/936732600.db2.gz BLOGNMZGTBYTNN-UHFFFAOYSA-N 1 0 260.337 1.365 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1ccc(O)c(C)c1O ZINC001140746102 936749247 /nfs/dbraw/zinc/74/92/47/936749247.db2.gz UWQJXZBMYIRDSQ-UHFFFAOYSA-N 1 0 252.314 1.104 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001118031201 922865000 /nfs/dbraw/zinc/86/50/00/922865000.db2.gz AFDIACQTSVZDKU-WDEREUQCSA-N 1 0 295.383 1.759 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141155887 936821222 /nfs/dbraw/zinc/82/12/22/936821222.db2.gz NOAQNTVWDHPOKS-UHFFFAOYSA-N 1 0 264.325 1.152 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(O)ccc1O ZINC001141157350 936821624 /nfs/dbraw/zinc/82/16/24/936821624.db2.gz GKJNVCFTMUJLEJ-WDEREUQCSA-N 1 0 250.342 1.622 20 10 CDCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001141160005 936822315 /nfs/dbraw/zinc/82/23/15/936822315.db2.gz OYGQJENBXVWNKI-BXUZGUMPSA-N 1 0 262.353 1.624 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3CO)ccc21 ZINC001141141069 936818903 /nfs/dbraw/zinc/81/89/03/936818903.db2.gz SZJNTRMNELSVMV-CYBMUJFWSA-N 1 0 262.353 1.472 20 10 CDCDRO COc1cccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c1O ZINC000841105250 936975882 /nfs/dbraw/zinc/97/58/82/936975882.db2.gz CRNLFKBAFRAWFV-HNNXBMFYSA-N 1 0 262.353 1.729 20 10 CDCDRO Oc1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)cc1O ZINC001203882968 925211678 /nfs/dbraw/zinc/21/16/78/925211678.db2.gz ZDGHNBUXOOHHIS-UHFFFAOYSA-N 1 0 280.343 1.716 20 10 CDCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2cc(O)ccc2O)C1 ZINC001205831175 925369324 /nfs/dbraw/zinc/36/93/24/925369324.db2.gz WUGPZCIOAVVIGP-CMPLNLGQSA-N 1 0 250.342 1.657 20 10 CDCDRO [O-]c1c(C[NH2+]C[C@H](O)CO)cc(Cl)c2cccnc12 ZINC001252070476 926263661 /nfs/dbraw/zinc/26/36/61/926263661.db2.gz KBEZSKFIXSCRKC-VIFPVBQESA-N 1 0 282.727 1.037 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2O)CO1 ZINC001169351291 927954974 /nfs/dbraw/zinc/95/49/74/927954974.db2.gz MDLGUIREPKKQQE-ZIAGYGMSSA-N 1 0 293.363 1.901 20 10 CDCDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001169576041 928195219 /nfs/dbraw/zinc/19/52/19/928195219.db2.gz GWVJEBTVTALENM-OAHLLOKOSA-N 1 0 274.364 1.722 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N(CC)C2)c1O ZINC000691444355 928637628 /nfs/dbraw/zinc/63/76/28/928637628.db2.gz IKYZJFWCDDUEGR-CYBMUJFWSA-N 1 0 262.353 1.665 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000857112064 928666606 /nfs/dbraw/zinc/66/66/06/928666606.db2.gz DXQAYWKWXWWZFS-NSHDSACASA-N 1 0 291.395 1.808 20 10 CDCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)S(C)(=O)=O ZINC000697566537 937283522 /nfs/dbraw/zinc/28/35/22/937283522.db2.gz FQDQPNPGVPMAET-SNVBAGLBSA-N 1 0 269.366 1.144 20 10 CDCDRO CC[N@H+](CC(=O)NC)Cc1ccc(N(C)C)c(C)c1 ZINC000815021201 929921668 /nfs/dbraw/zinc/92/16/68/929921668.db2.gz JNCJTHHCXMJIQZ-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(Cl)c1 ZINC001206092353 930847010 /nfs/dbraw/zinc/84/70/10/930847010.db2.gz BHCZEJNNTOQCJD-ZIAGYGMSSA-N 1 0 283.803 1.300 20 10 CDCDRO CCCCC[C@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001253554647 931043074 /nfs/dbraw/zinc/04/30/74/931043074.db2.gz MAJNQAOJUQHMOE-LBPRGKRZSA-N 1 0 281.352 1.811 20 10 CDCDRO Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1O ZINC001274099435 931169348 /nfs/dbraw/zinc/16/93/48/931169348.db2.gz HVARILRLSMWLML-INIZCTEOSA-N 1 0 292.354 1.894 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(O)c1 ZINC001144499182 931857930 /nfs/dbraw/zinc/85/79/30/931857930.db2.gz DIHVFTWRILOMQD-CQSZACIVSA-N 1 0 285.315 1.490 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500604 931859962 /nfs/dbraw/zinc/85/99/62/931859962.db2.gz WNOBDQBLCIDYNM-AWEZNQCLSA-N 1 0 267.325 1.540 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001144503784 931864245 /nfs/dbraw/zinc/86/42/45/931864245.db2.gz CTMQOLIWUQLKHK-AWEZNQCLSA-N 1 0 265.309 1.558 20 10 CDCDRO CC(C)(C)[NH+]1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144514586 931877930 /nfs/dbraw/zinc/87/79/30/931877930.db2.gz LHTUKBSHKZYRIX-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144515419 931878878 /nfs/dbraw/zinc/87/88/78/931878878.db2.gz OAMBULTXPXGJOS-ZDUSSCGKSA-N 1 0 283.324 1.433 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168338 931983991 /nfs/dbraw/zinc/98/39/91/931983991.db2.gz SOPKSBXHNJZQML-UWVGGRQHSA-N 1 0 255.314 1.059 20 10 CDCDRO COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc(O)c1O ZINC001275962154 932172002 /nfs/dbraw/zinc/17/20/02/932172002.db2.gz CDORLAPEHQLPNZ-NWDGAFQWSA-N 1 0 278.352 1.242 20 10 CDCDRO [NH3+][C@H]1CN(Cc2c(O)cccc2F)CC(F)(F)C1 ZINC001206125363 932194503 /nfs/dbraw/zinc/19/45/03/932194503.db2.gz XTZVDMXFBNYYKZ-MRVPVSSYSA-N 1 0 260.259 1.700 20 10 CDCDRO C[NH+](C)CCCCCNC(=O)c1cccc(O)c1O ZINC001148220003 932672056 /nfs/dbraw/zinc/67/20/56/932672056.db2.gz KESWJFDDMZVBRC-UHFFFAOYSA-N 1 0 266.341 1.560 20 10 CDCDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCCSc1nccs1 ZINC000925101472 932851823 /nfs/dbraw/zinc/85/18/23/932851823.db2.gz IADOQXBVTNAFGY-SECBINFHSA-N 1 0 285.438 1.740 20 10 CDCDRO Cc1c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c2ccccc2n1C ZINC001138252440 933250451 /nfs/dbraw/zinc/25/04/51/933250451.db2.gz HIVRVBBPANRMEG-WBMJQRKESA-N 1 0 274.364 1.272 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnc(C)o2)c(O)c1OC ZINC001120057556 937777374 /nfs/dbraw/zinc/77/73/74/937777374.db2.gz LKLLDCNFEFNAAH-UHFFFAOYSA-N 1 0 278.308 1.996 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c(O)cccc1F ZINC001276354371 935042311 /nfs/dbraw/zinc/04/23/11/935042311.db2.gz SMIWESRRHAGARK-STQMWFEESA-N 1 0 250.317 1.810 20 10 CDCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001123888752 936240412 /nfs/dbraw/zinc/24/04/12/936240412.db2.gz KQSFWTKQQORVKU-CYBMUJFWSA-N 1 0 292.379 1.834 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001121982852 937896488 /nfs/dbraw/zinc/89/64/88/937896488.db2.gz VRBLESQCPHFDQT-NWANDNLSSA-N 1 0 273.380 1.509 20 10 CDCDRO CC[N@@H+]1C[C@@H](NC(=O)C2=CC(=O)CS2)C(C)(C)C1 ZINC001156835616 938424583 /nfs/dbraw/zinc/42/45/83/938424583.db2.gz AAYFKKSCRHBNSX-LLVKDONJSA-N 1 0 268.382 1.914 20 10 CDCDRO Nc1ccc(CNc2nc(Cl)nc3c2C[NH2+]CC3)cc1 ZINC001162783830 939137983 /nfs/dbraw/zinc/13/79/83/939137983.db2.gz AQZOMYOWGQDGJT-UHFFFAOYSA-N 1 0 289.770 1.970 20 10 CDCDRO CNc1ccccc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163095283 939198704 /nfs/dbraw/zinc/19/87/04/939198704.db2.gz FTDAJLWVTYRSDL-GFCCVEGCSA-N 1 0 261.369 1.909 20 10 CDCDRO CCOc1cccc(CN2CC(C)(C[NH3+])C2)c1O ZINC001206711281 939584869 /nfs/dbraw/zinc/58/48/69/939584869.db2.gz HQKLAHNSQXYVOL-UHFFFAOYSA-N 1 0 250.342 1.572 20 10 CDCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccccc3O)CC[N@@H+]2C1 ZINC001203552321 939692547 /nfs/dbraw/zinc/69/25/47/939692547.db2.gz JHVADNAGUXCURK-LSDHHAIUSA-N 1 0 276.380 1.687 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c1O ZINC001203589993 939694964 /nfs/dbraw/zinc/69/49/64/939694964.db2.gz PWPIHKGNPACVQI-UHFFFAOYSA-N 1 0 291.347 1.725 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(O)c1 ZINC001203620633 939696547 /nfs/dbraw/zinc/69/65/47/939696547.db2.gz GQXGNBIEGLIFJV-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(C[N@H+](CCCO)C(C)C)c(O)c1 ZINC001203627572 939697951 /nfs/dbraw/zinc/69/79/51/939697951.db2.gz JKHWRAOYZHBWSQ-UHFFFAOYSA-N 1 0 253.342 1.994 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c1 ZINC001203670475 939700010 /nfs/dbraw/zinc/70/00/10/939700010.db2.gz RVDAQZWCSIGHOH-FZMZJTMJSA-N 1 0 265.353 1.994 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203873636 939709789 /nfs/dbraw/zinc/70/97/89/939709789.db2.gz IKWHFAWPHPMKKX-LLVKDONJSA-N 1 0 265.309 1.483 20 10 CDCDRO Oc1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1O ZINC001203878500 939710717 /nfs/dbraw/zinc/71/07/17/939710717.db2.gz HPMFHLBQUNXMDN-UHFFFAOYSA-N 1 0 292.379 1.394 20 10 CDCDRO Oc1ccc(C[NH+]2CCN(c3cccnc3)CC2)c(O)c1 ZINC001204275825 939749903 /nfs/dbraw/zinc/74/99/03/939749903.db2.gz CLPFILZKSDXVEK-UHFFFAOYSA-N 1 0 285.347 1.815 20 10 CDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001204276059 939750036 /nfs/dbraw/zinc/75/00/36/939750036.db2.gz FFFVIDUAPAKIAS-PWSUYJOCSA-N 1 0 271.263 1.564 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204275270 939750581 /nfs/dbraw/zinc/75/05/81/939750581.db2.gz NNICHCLPOSJURJ-UHFFFAOYSA-N 1 0 276.336 1.152 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(O)cc2O)C[C@H]1C ZINC001204282276 939752701 /nfs/dbraw/zinc/75/27/01/939752701.db2.gz OTNFBIXFWFAZQD-LLVKDONJSA-N 1 0 250.342 1.624 20 10 CDCDRO O[C@H]1COCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323160 939755741 /nfs/dbraw/zinc/75/57/41/939755741.db2.gz FKHQXNALJSETMF-MRXNPFEDSA-N 1 0 276.380 1.480 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc(O)c1O ZINC001204344636 939758312 /nfs/dbraw/zinc/75/83/12/939758312.db2.gz AEFHJXXFCYJGPS-ONGXEEELSA-N 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LIBATEVTHSYJAI-CQSZACIVSA-N 1 0 265.332 1.019 20 10 CDCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222100058 941566412 /nfs/dbraw/zinc/56/64/12/941566412.db2.gz SMSTUIBFFDMUCC-UHFFFAOYSA-N 1 0 297.349 1.198 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1COC[C@H]1O ZINC000323161644 942211515 /nfs/dbraw/zinc/21/15/15/942211515.db2.gz JENYJBAVVXDNEL-SBFPOUOMSA-N 1 0 263.337 1.598 20 10 CDCDRO Cc1cccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1O ZINC001231592424 942939433 /nfs/dbraw/zinc/93/94/33/942939433.db2.gz QLNJVDJBFPJBPG-CYBMUJFWSA-N 1 0 267.369 1.654 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)cc1O ZINC001231632759 942947389 /nfs/dbraw/zinc/94/73/89/942947389.db2.gz CJNFEBLTBIAIPR-INTQDDNPSA-N 1 0 267.300 1.896 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)cc1O ZINC001231634469 942948779 /nfs/dbraw/zinc/94/87/79/942948779.db2.gz NLJWNOFHEPVYGJ-CQSZACIVSA-N 1 0 267.325 1.311 20 10 CDCDRO COc1cc(CN2CCCC(=O)CC2)c(O)cc1O ZINC001231633588 942949767 /nfs/dbraw/zinc/94/97/67/942949767.db2.gz PXOIHLSEWRXBAX-UHFFFAOYSA-N 1 0 265.309 1.661 20 10 CDCDRO C[C@H]1COCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232834846 943412988 /nfs/dbraw/zinc/41/29/88/943412988.db2.gz OCEGESYSXDUROK-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO OCC[C@H]1CC12CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233014212 943463570 /nfs/dbraw/zinc/46/35/70/943463570.db2.gz MYWMXMNUDGLYFT-LBPRGKRZSA-N 1 0 293.363 1.788 20 10 CDCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482749 943590971 /nfs/dbraw/zinc/59/09/71/943590971.db2.gz ATUVDJXOVBLBDN-VHSXEESVSA-N 1 0 267.325 1.396 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001233483071 943592976 /nfs/dbraw/zinc/59/29/76/943592976.db2.gz MXPZZISMDAZFIE-SECBINFHSA-N 1 0 289.278 1.253 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@]3(CCO3)C2)cc1O ZINC001233485687 943593832 /nfs/dbraw/zinc/59/38/32/943593832.db2.gz HAYOQJVGZOFYHA-AWEZNQCLSA-N 1 0 265.309 1.558 20 10 CDCDRO C[C@@H]1CN(Cc2cc(O)c(O)cc2O)C[C@H](C)[N@H+]1C ZINC001233486096 943594377 /nfs/dbraw/zinc/59/43/77/943594377.db2.gz YJKYEFRACOZMBY-AOOOYVTPSA-N 1 0 266.341 1.328 20 10 CDCDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C[C@H](O)CO ZINC001233737225 943647599 /nfs/dbraw/zinc/64/75/99/943647599.db2.gz ZUOJWBHEDAENST-VIFPVBQESA-N 1 0 295.257 1.076 20 10 CDCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3COC[C@H]3F)cc2)CC1 ZINC001234657139 943930451 /nfs/dbraw/zinc/93/04/51/943930451.db2.gz BFIYERTUMXOZTO-HZPDHXFCSA-N 1 0 294.370 1.944 20 10 CDCDRO CN1CCCc2cc(CN3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235981373 944344866 /nfs/dbraw/zinc/34/48/66/944344866.db2.gz QFGOTTPDZBABEY-WBVHZDCISA-N 1 0 271.408 1.992 20 10 CDCDRO CCc1ccc(C[N@H+](C)CCC(=O)N(C)C)c(O)c1 ZINC001236793503 944570505 /nfs/dbraw/zinc/57/05/05/944570505.db2.gz XETWOTHYBDCTMJ-UHFFFAOYSA-N 1 0 264.369 1.865 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCCO3)c(F)c2)CC1 ZINC001236933129 944619089 /nfs/dbraw/zinc/61/90/89/944619089.db2.gz VGAPEVVNRPDKKQ-UHFFFAOYSA-N 1 0 279.359 1.715 20 10 CDCDRO CCOc1ccc(C[NH+]2CC(CC(=O)OC)C2)c(O)c1 ZINC001237041035 944643488 /nfs/dbraw/zinc/64/34/88/944643488.db2.gz ATHQHCVIJSKSHZ-UHFFFAOYSA-N 1 0 279.336 1.786 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC(OC)OC)c(O)c1 ZINC001237042062 944644134 /nfs/dbraw/zinc/64/41/34/944644134.db2.gz FMCICMPGIYQZRY-UHFFFAOYSA-N 1 0 269.341 1.842 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)c(O)c1 ZINC001237043867 944644442 /nfs/dbraw/zinc/64/44/42/944644442.db2.gz DIDFAPQYISVXFA-GFCCVEGCSA-N 1 0 292.379 1.844 20 10 CDCDRO CCOc1ccc(CN2CC(N3CC(F)C3)C2)c(O)c1 ZINC001237046146 944645935 /nfs/dbraw/zinc/64/59/35/944645935.db2.gz YFILSZPVCWQODT-UHFFFAOYSA-N 1 0 280.343 1.629 20 10 CDCDRO C[NH+](C)C1CN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237119344 944660330 /nfs/dbraw/zinc/66/03/30/944660330.db2.gz DKGWQDFPSNVMKQ-UHFFFAOYSA-N 1 0 258.724 1.931 20 10 CDCDRO CCC[N@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237201762 944690887 /nfs/dbraw/zinc/69/08/87/944690887.db2.gz BHGDUIRGOKMXBX-UHFFFAOYSA-N 1 0 296.436 1.763 20 10 CDCDRO COc1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)cc1O ZINC001237405942 944758791 /nfs/dbraw/zinc/75/87/91/944758791.db2.gz SKUOFWQAYUACFE-WCQYABFASA-N 1 0 292.379 1.680 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CCc2nncn2CC1 ZINC001237484923 944810210 /nfs/dbraw/zinc/81/02/10/944810210.db2.gz KKIYJRRSRXZIEJ-UHFFFAOYSA-N 1 0 258.325 1.350 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CCN(C)C2=O ZINC001237491713 944813238 /nfs/dbraw/zinc/81/32/38/944813238.db2.gz QNAAUNVUXQAKQC-UHFFFAOYSA-N 1 0 260.337 1.365 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@@H](OC)C2)c(O)c(OC)c1 ZINC001237669879 944918219 /nfs/dbraw/zinc/91/82/19/944918219.db2.gz PMVQFYCQYWGOTO-LLVKDONJSA-N 1 0 267.325 1.630 20 10 CDCDRO C[NH+]1CC2(CN(Cc3cc(F)c(Cl)cc3O)C2)C1 ZINC001237943622 945010710 /nfs/dbraw/zinc/01/07/10/945010710.db2.gz ODMKDFMILQBJTL-UHFFFAOYSA-N 1 0 270.735 1.932 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1cc(F)c(Cl)cc1[O-] ZINC001237938106 945010814 /nfs/dbraw/zinc/01/08/14/945010814.db2.gz XYXNBOZEHLZOFH-UHFFFAOYSA-N 1 0 274.723 1.882 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001238057173 945042587 /nfs/dbraw/zinc/04/25/87/945042587.db2.gz JDGGNEUNNLFSLS-VXGBXAGGSA-N 1 0 257.280 1.744 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+](C)[C@@H]2CCN(C)C2)c1O ZINC001238062829 945044000 /nfs/dbraw/zinc/04/40/00/945044000.db2.gz SKWIISUUJWLIRD-CYBMUJFWSA-N 1 0 252.333 1.976 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1O ZINC001238061396 945044524 /nfs/dbraw/zinc/04/45/24/945044524.db2.gz HPRNMGNFVHCSCG-OAHLLOKOSA-N 1 0 294.370 1.746 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C)C2)c1O ZINC001278357452 946995351 /nfs/dbraw/zinc/99/53/51/946995351.db2.gz JKPFYTJLZGXTGR-CQSZACIVSA-N 1 0 288.391 1.919 20 10 CDCDRO CC[C@]1(C(=O)OC)C[C@@H]([NH2+]Cc2ccc(N)cc2)CN1 ZINC001246168021 948003746 /nfs/dbraw/zinc/00/37/46/948003746.db2.gz CKSDEZZVPVSEEI-UKRRQHHQSA-N 1 0 277.368 1.042 20 10 CDCDRO COC[C@H](C)[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001255577601 948005782 /nfs/dbraw/zinc/00/57/82/948005782.db2.gz AGUQWTISWNEWGI-JTQLQIEISA-N 1 0 251.326 1.881 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CC[NH2+]1 ZINC001246213024 948031925 /nfs/dbraw/zinc/03/19/25/948031925.db2.gz PVWDMLDCQKDSQC-MWLCHTKSSA-N 1 0 266.341 1.076 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001257043633 948495193 /nfs/dbraw/zinc/49/51/93/948495193.db2.gz XSQIVPZUDQZQSI-ZYHUDNBSSA-N 1 0 279.336 1.919 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CCC(C)(O)CC2)c(O)c1 ZINC001249171464 949437021 /nfs/dbraw/zinc/43/70/21/949437021.db2.gz BXXFDZOLTAMBHZ-UHFFFAOYSA-N 1 0 293.363 1.455 20 10 CDCDRO CCOc1ccc(N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC001251963491 951013183 /nfs/dbraw/zinc/01/31/83/951013183.db2.gz YGHRKLZWGBZCIP-ZDUSSCGKSA-N 1 0 264.369 1.588 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC001326132839 954229782 /nfs/dbraw/zinc/22/97/82/954229782.db2.gz LTMCZZZBEDFXPH-ZDUSSCGKSA-N 1 0 292.427 1.858 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@]2(CO)CCOC2)cc1F ZINC001329721911 956081745 /nfs/dbraw/zinc/08/17/45/956081745.db2.gz HIVDLKUPCRGFPW-AWEZNQCLSA-N 1 0 286.322 1.272 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)ccc21 ZINC001330085452 956270808 /nfs/dbraw/zinc/27/08/08/956270808.db2.gz NTZAGRZYRSRBRS-OFQRWUPVSA-N 1 0 285.391 1.293 20 10 CDCDRO COc1cc(C)c(C[NH+]2CC(C)(C(N)=O)C2)c(O)c1 ZINC001308835292 956590282 /nfs/dbraw/zinc/59/02/82/956590282.db2.gz JPJCNRUDKGXWMH-UHFFFAOYSA-N 1 0 264.325 1.016 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@H]2CCN(C)[C@@H]2C)c(O)c1 ZINC001308945765 956603387 /nfs/dbraw/zinc/60/33/87/956603387.db2.gz GFWOOQCEDVCEPP-RISCZKNCSA-N 1 0 264.369 1.891 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)NCC(C)C ZINC001331382889 957009921 /nfs/dbraw/zinc/00/99/21/957009921.db2.gz VFMGKRARFXXMSX-UHFFFAOYSA-N 1 0 277.412 1.923 20 10 CDCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001334160805 958889473 /nfs/dbraw/zinc/88/94/73/958889473.db2.gz HEVGGSPDSVKFDP-DGCLKSJQSA-N 1 0 276.384 1.384 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C)C(=O)O2)c1 ZINC001324266324 961272827 /nfs/dbraw/zinc/27/28/27/961272827.db2.gz KKVJFEDRLAKNBZ-MWLCHTKSSA-N 1 0 280.324 1.502 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1([NH3+])CC1 ZINC001338745933 961974060 /nfs/dbraw/zinc/97/40/60/961974060.db2.gz KLVGUDCHSMANDW-UHFFFAOYSA-N 1 0 290.411 1.775 20 10 CDCDRO Oc1cccc(NC(=S)NCC[NH+]2CCCCC2)c1O ZINC001200430505 968186396 /nfs/dbraw/zinc/18/63/96/968186396.db2.gz RYYYTOXXAGGXJX-UHFFFAOYSA-N 1 0 295.408 1.870 20 10 CDCDRO C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598663241 994631633 /nfs/dbraw/zinc/63/16/33/994631633.db2.gz CNVREPLMSIMESN-UWVGGRQHSA-N 1 0 266.341 1.739 20 10 CDCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093888094 342427120 /nfs/dbraw/zinc/42/71/20/342427120.db2.gz HVETWTOKFNHTBI-AWEZNQCLSA-N 1 0 267.300 1.788 20 10 CDCDRO COc1cc(C)cc(CN[C@H]2C[NH2+]CC2(C)C)c1O ZINC001579144256 1172105258 /nfs/dbraw/zinc/10/52/58/1172105258.db2.gz ALOZFYBZIFIAAK-ZDUSSCGKSA-N 1 0 264.369 1.797 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000179637440 357217637 /nfs/dbraw/zinc/21/76/37/357217637.db2.gz YWWVCKBMVLNCJZ-CYBMUJFWSA-N 1 0 278.352 1.453 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180744156 357286404 /nfs/dbraw/zinc/28/64/04/357286404.db2.gz OGFZDIDLVJVSQH-STMXVASLSA-N 1 0 290.363 1.664 20 10 CDCDRO CCCCC[N@H+](CC(N)=O)Cc1cccc(OC)c1O ZINC000180802143 357290216 /nfs/dbraw/zinc/29/02/16/357290216.db2.gz DPCWQLVWVFEJOV-UHFFFAOYSA-N 1 0 280.368 1.878 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180148486 357247366 /nfs/dbraw/zinc/24/73/66/357247366.db2.gz QBQDHYBVPMDQPK-LLVKDONJSA-N 1 0 252.333 1.915 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@@H](C)O1 ZINC000188388258 357890061 /nfs/dbraw/zinc/89/00/61/357890061.db2.gz ONCKMIXZRIMSQN-DGCLKSJQSA-N 1 0 281.352 1.637 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H]2CO)cc1OC ZINC000191178608 358118508 /nfs/dbraw/zinc/11/85/08/358118508.db2.gz KLYNGLIYOHDSOK-CMPLNLGQSA-N 1 0 281.352 1.612 20 10 CDCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccccc1O ZINC000091619352 358520221 /nfs/dbraw/zinc/52/02/21/358520221.db2.gz LRBACASTEUWWHF-ZDUSSCGKSA-N 1 0 264.369 1.545 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)CCNC(=O)C(C)C)c1 ZINC000092104294 358538798 /nfs/dbraw/zinc/53/87/98/358538798.db2.gz RFPPFOZZCMTXAE-UHFFFAOYSA-N 1 0 264.369 1.905 20 10 CDCDRO OC[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)O1 ZINC000297470275 200202663 /nfs/dbraw/zinc/20/26/63/200202663.db2.gz YOAWKDMTSVSXOI-FRRDWIJNSA-N 1 0 263.337 1.509 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000091927839 360256725 /nfs/dbraw/zinc/25/67/25/360256725.db2.gz WHKUQZJOHJSEED-ZFWWWQNUSA-N 1 0 293.363 1.781 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CCO)C(C)C)c1O ZINC000230690056 360342562 /nfs/dbraw/zinc/34/25/62/360342562.db2.gz SAHGYRNIJDIZKL-GFCCVEGCSA-N 1 0 253.342 1.897 20 10 CDCDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccccc1O ZINC000282421699 364097397 /nfs/dbraw/zinc/09/73/97/364097397.db2.gz SRTNNNUDQYIAOH-BTDLBPIBSA-N 1 0 253.367 1.954 20 10 CDCDRO COc1cccc(C[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000282434962 364102827 /nfs/dbraw/zinc/10/28/27/364102827.db2.gz ROPOVUVQBMOLRK-SFHVURJKSA-N 1 0 269.366 1.402 20 10 CDCDRO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccccc1O ZINC000269892505 364371650 /nfs/dbraw/zinc/37/16/50/364371650.db2.gz CQYRFCGLUQMLLN-NVXWUHKLSA-N 1 0 287.359 1.966 20 10 CDCDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000270556716 364652636 /nfs/dbraw/zinc/65/26/36/364652636.db2.gz OHXGZDVCQDJBRZ-LLVKDONJSA-N 1 0 293.241 1.524 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1O ZINC000271238506 364978236 /nfs/dbraw/zinc/97/82/36/364978236.db2.gz BQEXJORRLDADAF-JOYOIKCWSA-N 1 0 265.309 1.324 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(CO)CC2)c1 ZINC000271777776 364998148 /nfs/dbraw/zinc/99/81/48/364998148.db2.gz GHFJHRJXIWIHGS-UHFFFAOYSA-N 1 0 251.326 1.605 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCSC2)cc1OC ZINC000271773384 364997745 /nfs/dbraw/zinc/99/77/45/364997745.db2.gz CBZYZXGJJPIWPT-AWEZNQCLSA-N 1 0 299.392 1.367 20 10 CDCDRO CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1O ZINC000183342822 365423424 /nfs/dbraw/zinc/42/34/24/365423424.db2.gz NTDHQTZFHUAMRP-CYBMUJFWSA-N 1 0 278.352 1.292 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c(O)c1 ZINC000282489952 367910375 /nfs/dbraw/zinc/91/03/75/367910375.db2.gz HQLDOZVVKANRTR-MNOVXSKESA-N 1 0 268.332 1.825 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)CCOCCO)cc1C ZINC000282669165 367983689 /nfs/dbraw/zinc/98/36/89/367983689.db2.gz HNLIOVHEXJWLEQ-UHFFFAOYSA-N 1 0 253.342 1.450 20 10 CDCDRO C[NH2+]CCC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000285947577 368676194 /nfs/dbraw/zinc/67/61/94/368676194.db2.gz GCKQDTIBBGPXHN-UHFFFAOYSA-N 1 0 295.358 1.092 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294677567 371082707 /nfs/dbraw/zinc/08/27/07/371082707.db2.gz AXLCUVAATSEJEC-ZDUSSCGKSA-N 1 0 278.352 1.973 20 10 CDCDRO CCC[NH2+][C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000295022844 371118430 /nfs/dbraw/zinc/11/84/30/371118430.db2.gz CKRINUHHAIGAHH-GFCCVEGCSA-N 1 0 291.395 1.866 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N(C)C)cc1 ZINC000275048914 371199138 /nfs/dbraw/zinc/19/91/38/371199138.db2.gz ZOYGXAWSBUFYFB-JTQLQIEISA-N 1 0 285.338 1.785 20 10 CDCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1O ZINC000226585480 371959665 /nfs/dbraw/zinc/95/96/65/371959665.db2.gz DFRUDMOBURLUTH-SNVBAGLBSA-N 1 0 266.316 1.632 20 10 CDCDRO C[C@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H]1CN(C)CCO1 ZINC000129234597 684897084 /nfs/dbraw/zinc/89/70/84/684897084.db2.gz QTOJDDIYJIVVAU-HZMBPMFUSA-N 1 0 284.787 1.854 20 10 CDCDRO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccccc1O ZINC000113345161 374510118 /nfs/dbraw/zinc/51/01/18/374510118.db2.gz FRZKIMAOHYAECF-UHFFFAOYSA-N 1 0 271.382 1.695 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000123942518 374741033 /nfs/dbraw/zinc/74/10/33/374741033.db2.gz KHNWNQOTSRPHTD-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccccc1O)C(=O)NC(C)(C)C ZINC000134230497 375619949 /nfs/dbraw/zinc/61/99/49/375619949.db2.gz INQNTVIBFMCWHM-SNVBAGLBSA-N 1 0 250.342 1.785 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000234825384 285379490 /nfs/dbraw/zinc/37/94/90/285379490.db2.gz LMPBDKRPRPPPJI-AAEUAGOBSA-N 1 0 252.358 1.411 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C2CC2)c(O)c1 ZINC000168734791 390937111 /nfs/dbraw/zinc/93/71/11/390937111.db2.gz MZHSYOSABAENQF-LLVKDONJSA-N 1 0 262.353 1.877 20 10 CDCDRO CCCOc1ccc(CN2CCNC(=O)[C@H]2CC)c(O)c1 ZINC000093050456 390899409 /nfs/dbraw/zinc/89/94/09/390899409.db2.gz QQZPHOQLOBFVLX-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000093612027 390903518 /nfs/dbraw/zinc/90/35/18/390903518.db2.gz UBNBTVDMPPUKET-GFCCVEGCSA-N 1 0 291.269 1.900 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCSC2)c1 ZINC000176755520 391157556 /nfs/dbraw/zinc/15/75/56/391157556.db2.gz RQRWDODAXHNALH-CQSZACIVSA-N 1 0 283.393 1.749 20 10 CDCDRO CC[NH+](CC)CCNC(=O)c1ccc(C)c(O)c1O ZINC000177667379 391173822 /nfs/dbraw/zinc/17/38/22/391173822.db2.gz GOHHPPRUPNDZJK-UHFFFAOYSA-N 1 0 266.341 1.478 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000182197105 391231694 /nfs/dbraw/zinc/23/16/94/391231694.db2.gz FUWZVUQOPICMGS-UHFFFAOYSA-N 1 0 294.395 1.601 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000179580071 391213245 /nfs/dbraw/zinc/21/32/45/391213245.db2.gz DJDUVHJZLRUMMG-AWEZNQCLSA-N 1 0 276.380 1.546 20 10 CDCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183485230 391265555 /nfs/dbraw/zinc/26/55/55/391265555.db2.gz WQHAMXDVZWAACU-JQWIXIFHSA-N 1 0 272.352 1.958 20 10 CDCDRO CCOc1ccc(O)c(C[NH+](CCOC)CCOC)c1 ZINC000158229680 261161723 /nfs/dbraw/zinc/16/17/23/261161723.db2.gz XSBYJCZYYQRBSV-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOCCO)cc1 ZINC000159109078 261179030 /nfs/dbraw/zinc/17/90/30/261179030.db2.gz MJZVTOPVDMNINQ-ZDUSSCGKSA-N 1 0 266.385 1.802 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H](C)OC)CC2)cc1 ZINC000182013183 261919698 /nfs/dbraw/zinc/91/96/98/261919698.db2.gz DQCUNHYSUDTARK-ZDUSSCGKSA-N 1 0 264.369 1.852 20 10 CDCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000185226583 262046733 /nfs/dbraw/zinc/04/67/33/262046733.db2.gz UBLWSPUSPBCXCY-NSHDSACASA-N 1 0 297.420 1.966 20 10 CDCDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(F)ccc1O ZINC000186511547 262096579 /nfs/dbraw/zinc/09/65/79/262096579.db2.gz LSRRULVBWLPEGY-VIFPVBQESA-N 1 0 292.314 1.335 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c(O)c1 ZINC000184921231 262300148 /nfs/dbraw/zinc/30/01/48/262300148.db2.gz OHHHHZNMPRMZOD-LLVKDONJSA-N 1 0 286.397 1.291 20 10 CDCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]12 ZINC000367839696 267121080 /nfs/dbraw/zinc/12/10/80/267121080.db2.gz MYCFPSQPRQPEKT-GDNZZTSVSA-N 1 0 253.729 1.716 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](C)CN(C)C)c(O)c1 ZINC000808422655 687098452 /nfs/dbraw/zinc/09/84/52/687098452.db2.gz AFOFJUFSWGUVRS-NSHDSACASA-N 1 0 252.358 1.831 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000273396521 276802434 /nfs/dbraw/zinc/80/24/34/276802434.db2.gz LEPCIOCWSFOWGG-LSDHHAIUSA-N 1 0 275.396 1.886 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1O ZINC000036794091 288057396 /nfs/dbraw/zinc/05/73/96/288057396.db2.gz MDGRUVQHHVTTLA-JQWIXIFHSA-N 1 0 250.342 1.910 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290206271 328258413 /nfs/dbraw/zinc/25/84/13/328258413.db2.gz VIGJZUIBYMSUJD-GFCCVEGCSA-N 1 0 283.393 1.615 20 10 CDCDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000378381685 329047985 /nfs/dbraw/zinc/04/79/85/329047985.db2.gz XDJTYSGWGZRIIK-ZDUSSCGKSA-N 1 0 275.352 1.382 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000185025904 329264788 /nfs/dbraw/zinc/26/47/88/329264788.db2.gz MACXUUNCOTUAPG-IACUBPJLSA-N 1 0 259.353 1.007 20 10 CDCDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000263196330 330048511 /nfs/dbraw/zinc/04/85/11/330048511.db2.gz IKTHLFWXDNJFDT-GDBMZVCRSA-N 1 0 275.396 1.835 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(N)cc3)CC[C@H]21 ZINC000227327107 333280839 /nfs/dbraw/zinc/28/08/39/333280839.db2.gz QNLADLBAYLKDCT-GOEBONIOSA-N 1 0 287.407 1.754 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000135712511 334136903 /nfs/dbraw/zinc/13/69/03/334136903.db2.gz ASTXAFRMCOQHMO-GFCCVEGCSA-N 1 0 261.369 1.640 20 10 CDCDRO C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000273575688 334767256 /nfs/dbraw/zinc/76/72/56/334767256.db2.gz LTBFPRWHQJXCGX-LLVKDONJSA-N 1 0 282.359 1.639 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000226607471 687317716 /nfs/dbraw/zinc/31/77/16/687317716.db2.gz WZFNLTKYVWYAFW-GFCCVEGCSA-N 1 0 250.317 1.858 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(O)CCOCC2)c1O ZINC000709465293 687385899 /nfs/dbraw/zinc/38/58/99/687385899.db2.gz XCSOQRGHTSBOFT-UHFFFAOYSA-N 1 0 265.353 1.586 20 10 CDCDRO O=S1(=O)CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708558869 687488314 /nfs/dbraw/zinc/48/83/14/687488314.db2.gz MEFWVWFDFZUPKR-MRVPVSSYSA-N 1 0 291.319 1.195 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1OC ZINC000274992689 520372518 /nfs/dbraw/zinc/37/25/18/520372518.db2.gz ZFZFKYCWQINEGY-KYOSRNDESA-N 1 0 281.352 1.683 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000278750627 521150813 /nfs/dbraw/zinc/15/08/13/521150813.db2.gz WGEZSXWWKBRLRT-XHDPSFHLSA-N 1 0 281.352 1.420 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000228099387 521774372 /nfs/dbraw/zinc/77/43/72/521774372.db2.gz JSEGDQPVJBTMIB-CQSZACIVSA-N 1 0 266.316 1.489 20 10 CDCDRO CC[C@H]([NH2+]CCCOCCO)c1ccccc1O ZINC000157923454 522584508 /nfs/dbraw/zinc/58/45/08/522584508.db2.gz SKRMGTGBGPNCIS-ZDUSSCGKSA-N 1 0 253.342 1.832 20 10 CDCDRO CC[C@@H](COC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000079735205 522593999 /nfs/dbraw/zinc/59/39/99/522593999.db2.gz GPQODUBJGBLGHC-JTQLQIEISA-N 1 0 253.298 1.636 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCO1 ZINC000279347686 522748622 /nfs/dbraw/zinc/74/86/22/522748622.db2.gz FXOYMJGXNCWNFZ-GXTWGEPZSA-N 1 0 269.316 1.815 20 10 CDCDRO COc1cc(O)c(C[NH2+]Cc2snnc2C)cc1OC ZINC000292731347 522780800 /nfs/dbraw/zinc/78/08/00/522780800.db2.gz GGUROCRPQUMFID-UHFFFAOYSA-N 1 0 295.364 1.859 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@]2(CCO)CCOC2)cc1OC ZINC000278703697 522781587 /nfs/dbraw/zinc/78/15/87/522781587.db2.gz NXHIGCAAFSWGPU-HNNXBMFYSA-N 1 0 297.351 1.041 20 10 CDCDRO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001170163023 1162262165 /nfs/dbraw/zinc/26/21/65/1162262165.db2.gz WSIZVQMDSJRUJZ-JMSVASOKSA-N 1 0 281.352 1.678 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289463695 523411121 /nfs/dbraw/zinc/41/11/21/523411121.db2.gz ACNSJPLNGSBQGT-LSDHHAIUSA-N 1 0 275.396 1.757 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1cc(OC)ccc1O ZINC000289398960 523698732 /nfs/dbraw/zinc/69/87/32/523698732.db2.gz GEPNTZNAAUEQKN-UHFFFAOYSA-N 1 0 282.384 1.411 20 10 CDCDRO Cc1cc(C[N@H+](C)CC(=O)NC2CC2)ccc1N(C)C ZINC000293437098 524659533 /nfs/dbraw/zinc/65/95/33/524659533.db2.gz JQSSDZWAEPMBQG-UHFFFAOYSA-N 1 0 275.396 1.771 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000279511003 525337656 /nfs/dbraw/zinc/33/76/56/525337656.db2.gz XGUCRTMVUZFBTO-CQSZACIVSA-N 1 0 278.396 1.853 20 10 CDCDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(F)ccc1O ZINC000094617774 525440528 /nfs/dbraw/zinc/44/05/28/525440528.db2.gz IHRNYISFHHXZJQ-SECBINFHSA-N 1 0 275.345 1.617 20 10 CDCDRO COc1cccc(C[NH2+]CCc2nccnc2C)c1O ZINC000293188371 526015960 /nfs/dbraw/zinc/01/59/60/526015960.db2.gz WZHKSQOHFBWIEF-UHFFFAOYSA-N 1 0 273.336 1.832 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cnc(N(C)C)nc2)c1O ZINC000289480244 526027019 /nfs/dbraw/zinc/02/70/19/526027019.db2.gz QIMNQALXBSSMBI-UHFFFAOYSA-N 1 0 288.351 1.547 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC000291028447 527619401 /nfs/dbraw/zinc/61/94/01/527619401.db2.gz BCABOPHLYYMZBR-SNVBAGLBSA-N 1 0 275.270 1.981 20 10 CDCDRO C[NH+]1CCC(CCNC(=O)NCc2ccccc2O)CC1 ZINC000728748672 574644029 /nfs/dbraw/zinc/64/40/29/574644029.db2.gz WHNBGTUGENVMQQ-UHFFFAOYSA-N 1 0 291.395 1.923 20 10 CDCDRO CC[NH+]1CCN(CCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000731869585 575066736 /nfs/dbraw/zinc/06/67/36/575066736.db2.gz MGFKLIUFNXOABE-UHFFFAOYSA-N 1 0 297.424 1.211 20 10 CDCDRO CC(C)[N@H+](C)CCCNC(=O)C1=CC(=O)CS1 ZINC000732269971 575085048 /nfs/dbraw/zinc/08/50/48/575085048.db2.gz NDLSPXCJDZSHFI-UHFFFAOYSA-N 1 0 256.371 1.914 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733326544 575114734 /nfs/dbraw/zinc/11/47/34/575114734.db2.gz JTRQKOLQUCWGJX-CQSZACIVSA-N 1 0 270.348 1.379 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1cc(OC)ccc1O ZINC000734015285 575153528 /nfs/dbraw/zinc/15/35/28/575153528.db2.gz GKMBLUWLUUQILD-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO COCC1=CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000774647468 575223685 /nfs/dbraw/zinc/22/36/85/575223685.db2.gz SCJVSPOWBVYGNW-HNNXBMFYSA-N 1 0 291.347 1.597 20 10 CDCDRO COCCOC[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769508456 575353565 /nfs/dbraw/zinc/35/35/65/575353565.db2.gz QQWFGLYIOBTYRG-CYBMUJFWSA-N 1 0 295.379 1.886 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(OCCO)CC2)cc1 ZINC000769538154 575357923 /nfs/dbraw/zinc/35/79/23/575357923.db2.gz TYPZXKCQCHSERV-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000770378186 575443129 /nfs/dbraw/zinc/44/31/29/575443129.db2.gz DYVOBNCZYBTFQE-DOTOQJQBSA-N 1 0 290.407 1.726 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC000768179984 576262452 /nfs/dbraw/zinc/26/24/52/576262452.db2.gz QVZDXEHBQPAQLJ-ZDUSSCGKSA-N 1 0 278.352 1.631 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCOC1 ZINC000768446502 576283976 /nfs/dbraw/zinc/28/39/76/576283976.db2.gz KSYCRCDHKQUUSK-ABAIWWIYSA-N 1 0 293.363 1.676 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1c(O)cccc1OC ZINC000768883032 576315740 /nfs/dbraw/zinc/31/57/40/576315740.db2.gz WXRPVFINYBZMFN-SNVBAGLBSA-N 1 0 267.325 1.642 20 10 CDCDRO COc1cccc(O)c1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000769300985 576343761 /nfs/dbraw/zinc/34/37/61/576343761.db2.gz CRRIBZKUEJFNHH-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1F ZINC000748241585 576902757 /nfs/dbraw/zinc/90/27/57/576902757.db2.gz AKRNYPOXIBIGFD-ZDUSSCGKSA-N 1 0 279.359 1.602 20 10 CDCDRO C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000750018377 576972364 /nfs/dbraw/zinc/97/23/64/576972364.db2.gz VYISTAVCJJRKKW-JTQLQIEISA-N 1 0 267.348 1.458 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(F)ccc1O ZINC000756546938 576994604 /nfs/dbraw/zinc/99/46/04/576994604.db2.gz WARSBLHZHJCXGI-VXGBXAGGSA-N 1 0 282.359 1.903 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)c(O)c1C ZINC000756662265 576999310 /nfs/dbraw/zinc/99/93/10/576999310.db2.gz ZNHIRPAPSPTUMK-KOLCDFICSA-N 1 0 250.342 1.924 20 10 CDCDRO c1cc(-c2nn[nH]n2)oc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000823767848 599424391 /nfs/dbraw/zinc/42/43/91/599424391.db2.gz YWSOCAHTTHRUSR-UHFFFAOYSA-N 1 0 297.318 1.684 20 10 CDCDRO Oc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000823731991 606415414 /nfs/dbraw/zinc/41/54/14/606415414.db2.gz IADRWYKBMJXUBY-UHFFFAOYSA-N 1 0 287.348 1.924 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1F ZINC000891456520 617420299 /nfs/dbraw/zinc/42/02/99/617420299.db2.gz PAEWQIAOHPVOGW-RYUDHWBXSA-N 1 0 292.358 1.147 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)CCCO)c(O)c1OC ZINC000893164218 617425603 /nfs/dbraw/zinc/42/56/03/617425603.db2.gz MKMLUDVDICREKS-SNVBAGLBSA-N 1 0 269.341 1.660 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CNC(=O)C2)cc1 ZINC000840834622 617443141 /nfs/dbraw/zinc/44/31/41/617443141.db2.gz XTJXSUJEEQFRPQ-STQMWFEESA-N 1 0 275.396 1.929 20 10 CDCDRO COc1ccc(C[N@H+](CCO)C2CC2)c(O)c1OC ZINC000891618753 617507663 /nfs/dbraw/zinc/50/76/63/617507663.db2.gz GKHZRFPTRBYCFP-UHFFFAOYSA-N 1 0 267.325 1.366 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000841655254 617641632 /nfs/dbraw/zinc/64/16/32/617641632.db2.gz RBDJTAGFFLAYQM-UHFFFAOYSA-N 1 0 290.411 1.694 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOCCO ZINC000840928260 618103303 /nfs/dbraw/zinc/10/33/03/618103303.db2.gz MSYWSDBXLVUFPX-UHFFFAOYSA-N 1 0 252.358 1.160 20 10 CDCDRO COc1cc(C)cc(C[N@H+](CC(N)=O)C2CCCC2)c1O ZINC000893928713 618187065 /nfs/dbraw/zinc/18/70/65/618187065.db2.gz DXSSRFSMXVORJK-UHFFFAOYSA-N 1 0 292.379 1.939 20 10 CDCDRO COC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892443882 618210914 /nfs/dbraw/zinc/21/09/14/618210914.db2.gz LNKOXYJNORHXGT-VIFPVBQESA-N 1 0 255.314 1.534 20 10 CDCDRO C[NH2+]CCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000841103293 618683365 /nfs/dbraw/zinc/68/33/65/618683365.db2.gz GEARALKJMZFJKL-UHFFFAOYSA-N 1 0 253.365 1.933 20 10 CDCDRO Oc1cc2c(cc1CN1CC[C@@H]3[NH2+]CC[C@@H]3C1)OCO2 ZINC000843128934 618693711 /nfs/dbraw/zinc/69/37/11/618693711.db2.gz ZRLQEBLDJUZNLA-PWSUYJOCSA-N 1 0 276.336 1.305 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000894495090 618922192 /nfs/dbraw/zinc/92/21/92/618922192.db2.gz SBJLOWUTYHQVAJ-QWHCGFSZSA-N 1 0 265.353 1.958 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000894542803 618952857 /nfs/dbraw/zinc/95/28/57/618952857.db2.gz ONLWBBNDMVIOBP-UHFFFAOYSA-N 1 0 295.358 1.822 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894664652 619007840 /nfs/dbraw/zinc/00/78/40/619007840.db2.gz WVJKALXPZFQTDD-NSHDSACASA-N 1 0 269.341 1.612 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(N(C)C)CC2)c1O ZINC000895024672 619215281 /nfs/dbraw/zinc/21/52/81/619215281.db2.gz JVQMNFTZBBUFDN-UHFFFAOYSA-N 1 0 264.369 1.893 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1C ZINC000895315663 619545055 /nfs/dbraw/zinc/54/50/55/619545055.db2.gz IOJMQCHKHGHLCU-CYBMUJFWSA-N 1 0 262.353 1.623 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000895747404 619821941 /nfs/dbraw/zinc/82/19/41/619821941.db2.gz HLNZUOTZHRMZEX-KGLIPLIRSA-N 1 0 295.379 1.729 20 10 CDCDRO CCOc1cccc(CN2CCC[C@@H]([NH3+])C2)c1O ZINC000041027804 621614654 /nfs/dbraw/zinc/61/46/54/621614654.db2.gz QVBDFTZBRUMVHH-GFCCVEGCSA-N 1 0 250.342 1.714 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000927083284 621693408 /nfs/dbraw/zinc/69/34/08/621693408.db2.gz KJYDYKRSTGBAHG-VXGBXAGGSA-N 1 0 281.352 1.857 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448536 625999495 /nfs/dbraw/zinc/99/94/95/625999495.db2.gz PKJHGGXHQCYKNP-SWLSCSKDSA-N 1 0 292.427 1.209 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000042879543 626217968 /nfs/dbraw/zinc/21/79/68/626217968.db2.gz VERZQDUVTAZNOI-UHFFFAOYSA-N 1 0 288.303 1.814 20 10 CDCDRO CC[N@@H+]1CCCN(C(=O)c2ccc(C)c(O)c2O)[C@@H](C)C1 ZINC000910285709 628960991 /nfs/dbraw/zinc/96/09/91/628960991.db2.gz ZNLDGYRGLSSPRS-LBPRGKRZSA-N 1 0 292.379 1.963 20 10 CDCDRO [NH3+][C@H](CC1CC1)C(=O)NCCCSc1nccs1 ZINC000884138077 633021997 /nfs/dbraw/zinc/02/19/97/633021997.db2.gz CUPMVFWDVOWZPD-SNVBAGLBSA-N 1 0 285.438 1.869 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000922939095 684511443 /nfs/dbraw/zinc/51/14/43/684511443.db2.gz LHGBPZRRNOXRQZ-LBPRGKRZSA-N 1 0 271.744 1.941 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000851682130 685279370 /nfs/dbraw/zinc/27/93/70/685279370.db2.gz ULFZOMKLNPISSE-ZDUSSCGKSA-N 1 0 292.427 1.892 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000835080908 685344730 /nfs/dbraw/zinc/34/47/30/685344730.db2.gz ZGPUMEOMWJZPAR-TZMCWYRMSA-N 1 0 251.326 1.794 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CO ZINC000249064798 685361341 /nfs/dbraw/zinc/36/13/41/685361341.db2.gz IKMCRKKKGMJBRZ-PBHICJAKSA-N 1 0 290.407 1.726 20 10 CDCDRO COc1ccc(O)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000111748499 685384977 /nfs/dbraw/zinc/38/49/77/685384977.db2.gz OAVWWPSRFIGOBL-GHMZBOCLSA-N 1 0 250.342 1.583 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841934842 685388774 /nfs/dbraw/zinc/38/87/74/685388774.db2.gz MBWFVQPGYYNGNH-UHFFFAOYSA-N 1 0 291.395 1.680 20 10 CDCDRO COc1ccc(O)c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000793586194 685432638 /nfs/dbraw/zinc/43/26/38/685432638.db2.gz GQEATZZQLWNLOZ-QWHCGFSZSA-N 1 0 294.395 1.288 20 10 CDCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000830360741 685598979 /nfs/dbraw/zinc/59/89/79/685598979.db2.gz SOKULXIXVZUVLA-SWLSCSKDSA-N 1 0 275.396 1.610 20 10 CDCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccn(C)c2)cc1 ZINC000863641431 684359147 /nfs/dbraw/zinc/35/91/47/684359147.db2.gz BYFQOBVCSFVAFN-INIZCTEOSA-N 1 0 272.396 1.881 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCN1CCOCC1 ZINC000876886037 684396487 /nfs/dbraw/zinc/39/64/87/684396487.db2.gz QSQKLNCIBILUHC-UHFFFAOYSA-N 1 0 264.369 1.513 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000877111661 684408655 /nfs/dbraw/zinc/40/86/55/684408655.db2.gz LENYEINLFYAUDF-NSHDSACASA-N 1 0 269.366 1.367 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000779207051 684443173 /nfs/dbraw/zinc/44/31/73/684443173.db2.gz KULSFNLPMCHTBF-UHFFFAOYSA-N 1 0 257.280 1.984 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000877786238 684457019 /nfs/dbraw/zinc/45/70/19/684457019.db2.gz AVXGKPHRVOKAQK-UHFFFAOYSA-N 1 0 298.770 1.935 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000840092920 684524804 /nfs/dbraw/zinc/52/48/04/684524804.db2.gz YZPVLGIVBPNFOX-SWLSCSKDSA-N 1 0 292.379 1.344 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000180028733 684529947 /nfs/dbraw/zinc/52/99/47/684529947.db2.gz KMJMXIINLNDCDU-UHFFFAOYSA-N 1 0 265.309 1.350 20 10 CDCDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1=CC(=O)CS1 ZINC000854649842 684536036 /nfs/dbraw/zinc/53/60/36/684536036.db2.gz HKWSWQCSWKZNKN-PSASIEDQSA-N 1 0 254.355 1.618 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c(O)c1 ZINC000788532973 684554572 /nfs/dbraw/zinc/55/45/72/684554572.db2.gz BFWXJCPDVFSVGC-NHYWBVRUSA-N 1 0 281.352 1.420 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CN)C2CC2)c1 ZINC000841028351 684629887 /nfs/dbraw/zinc/62/98/87/684629887.db2.gz PAIOYNCOAAZGTH-ZDUSSCGKSA-N 1 0 250.342 1.618 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835072673 684665557 /nfs/dbraw/zinc/66/55/57/684665557.db2.gz HWMHUQKOBNGCQU-ZIAGYGMSSA-N 1 0 274.364 1.944 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000840940948 684691553 /nfs/dbraw/zinc/69/15/53/684691553.db2.gz OSTQOMVYDCHZDQ-BBRMVZONSA-N 1 0 278.396 1.691 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC000250071778 684732027 /nfs/dbraw/zinc/73/20/27/684732027.db2.gz OACKOOBBXCVHBD-WMLDXEAASA-N 1 0 290.407 1.726 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@@H]1OC ZINC000792714508 684811273 /nfs/dbraw/zinc/81/12/73/684811273.db2.gz YCFILEPDTMNDFZ-IYBDPMFKSA-N 1 0 288.347 1.786 20 10 CDCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C[NH2+]1 ZINC000843119764 684816984 /nfs/dbraw/zinc/81/69/84/684816984.db2.gz IROLQJLTTCHIBW-ZJUUUORDSA-N 1 0 264.325 1.303 20 10 CDCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877044856 684827540 /nfs/dbraw/zinc/82/75/40/684827540.db2.gz JJVNTKUPQKJANJ-QGZVFWFLSA-N 1 0 290.407 1.508 20 10 CDCDRO Cc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c(O)c1 ZINC000876784865 684829965 /nfs/dbraw/zinc/82/99/65/684829965.db2.gz MFOCPHOBAWIMAW-OAHLLOKOSA-N 1 0 290.407 1.855 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000877588613 684853546 /nfs/dbraw/zinc/85/35/46/684853546.db2.gz UNULZOCLBGGJSE-CYBMUJFWSA-N 1 0 262.353 1.611 20 10 CDCDRO COc1cccc(O)c1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000843049159 684874713 /nfs/dbraw/zinc/87/47/13/684874713.db2.gz GZHYWHFLGXZGQM-PHIMTYICSA-N 1 0 250.342 1.583 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000877370076 684897224 /nfs/dbraw/zinc/89/72/24/684897224.db2.gz QDCBAZHOOUXEPQ-INIZCTEOSA-N 1 0 295.379 1.883 20 10 CDCDRO C[NH2+]CCC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831748491 684908111 /nfs/dbraw/zinc/90/81/11/684908111.db2.gz DIHDETDMSBMOBW-ZDUSSCGKSA-N 1 0 291.395 1.247 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)c(O)c1 ZINC000841976933 684917195 /nfs/dbraw/zinc/91/71/95/684917195.db2.gz JEDHNLKPQDQNMA-GFCCVEGCSA-N 1 0 293.367 1.342 20 10 CDCDRO CN1C[C@@H]([N@H+](C)Cc2cc(F)ccc2O)CCC1=O ZINC000862428985 684925719 /nfs/dbraw/zinc/92/57/19/684925719.db2.gz YZDXXZYRVQDXKD-LBPRGKRZSA-N 1 0 266.316 1.584 20 10 CDCDRO CCC[N@H+](CC[S@](C)=O)Cc1ccccc1O ZINC000827938811 684934424 /nfs/dbraw/zinc/93/44/24/684934424.db2.gz SZWICXARWFZZMK-KRWDZBQOSA-N 1 0 255.383 1.983 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCCF ZINC000922101288 684935262 /nfs/dbraw/zinc/93/52/62/684935262.db2.gz CYEPHCSCQCOWJZ-NSHDSACASA-N 1 0 280.343 1.575 20 10 CDCDRO O=C1[C@@H]([NH2+]Cc2cc(F)ccc2O)C[C@H]2CCCCN12 ZINC000835075012 684956479 /nfs/dbraw/zinc/95/64/79/684956479.db2.gz UJGYWFALLPANIB-OLZOCXBDSA-N 1 0 278.327 1.774 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000877545822 684961865 /nfs/dbraw/zinc/96/18/65/684961865.db2.gz MIIDUZUBTMPEIK-CYBMUJFWSA-N 1 0 298.408 1.166 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(OC)cc1O ZINC000852824956 684993555 /nfs/dbraw/zinc/99/35/55/684993555.db2.gz DJLXVNXSZITNCL-LLVKDONJSA-N 1 0 252.314 1.015 20 10 CDCDRO Nc1ccc(CCNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000851662166 684994928 /nfs/dbraw/zinc/99/49/28/684994928.db2.gz AZXYTYRRUKWNLA-UHFFFAOYSA-N 1 0 276.384 1.382 20 10 CDCDRO COc1cccc(C[NH2+]C2(CN(C)C)CCC2)c1O ZINC000393478410 684997682 /nfs/dbraw/zinc/99/76/82/684997682.db2.gz INQYJTYAMPHEGH-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c(C)n1-c1ccccn1 ZINC000237735043 684999895 /nfs/dbraw/zinc/99/98/95/684999895.db2.gz BOKJTUQUANTZNB-OAHLLOKOSA-N 1 0 298.390 1.956 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000852799369 685015472 /nfs/dbraw/zinc/01/54/72/685015472.db2.gz SHHKKAVRSUYLJO-AWEZNQCLSA-N 1 0 275.396 1.683 20 10 CDCDRO CCOC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819373925 685020618 /nfs/dbraw/zinc/02/06/18/685020618.db2.gz DZPNLZNWSGDIQU-PBHICJAKSA-N 1 0 294.439 1.979 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000848427264 685025406 /nfs/dbraw/zinc/02/54/06/685025406.db2.gz UXXMMOAUHWJCQP-BDAKNGLRSA-N 1 0 252.314 1.186 20 10 CDCDRO CCOc1ccc(O)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000843066120 685028649 /nfs/dbraw/zinc/02/86/49/685028649.db2.gz SXDUTJQTKKKXPX-TXEJJXNPSA-N 1 0 264.369 1.973 20 10 CDCDRO Cc1ncccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274555 685069462 /nfs/dbraw/zinc/06/94/62/685069462.db2.gz VPSMDFNLOHARHC-MRXNPFEDSA-N 1 0 298.390 1.886 20 10 CDCDRO C[N@@H+]1CCCC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000862792920 685166234 /nfs/dbraw/zinc/16/62/34/685166234.db2.gz FWFJMBXSYZTXLL-SNVBAGLBSA-N 1 0 268.382 1.915 20 10 CDCDRO CCOCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000036228406 685178338 /nfs/dbraw/zinc/17/83/38/685178338.db2.gz NPLXTCWUQAQUHM-UHFFFAOYSA-N 1 0 264.369 1.649 20 10 CDCDRO COc1c(O)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843049206 685225098 /nfs/dbraw/zinc/22/50/98/685225098.db2.gz JMDMXOCAVYBGGN-AOOOYVTPSA-N 1 0 295.339 1.491 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921988533 685721819 /nfs/dbraw/zinc/72/18/19/685721819.db2.gz FFTPTWPPAJRYSM-ZMZPIMSZSA-N 1 0 267.394 1.868 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000131827567 685794832 /nfs/dbraw/zinc/79/48/32/685794832.db2.gz FWGZUGULDOTGAK-UHFFFAOYSA-N 1 0 281.375 1.850 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000846107353 685800791 /nfs/dbraw/zinc/80/07/91/685800791.db2.gz HUFAHGKSHKJXCX-OAHLLOKOSA-N 1 0 281.352 1.422 20 10 CDCDRO CC[S@](=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310229417 685831134 /nfs/dbraw/zinc/83/11/34/685831134.db2.gz GSLJYKZUQKZJTN-DIFFPNOSSA-N 1 0 253.367 1.738 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@H](C)OC ZINC000812304516 685844266 /nfs/dbraw/zinc/84/42/66/685844266.db2.gz XEOOXXDQBHSILJ-IINYFYTJSA-N 1 0 281.352 1.675 20 10 CDCDRO CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1O ZINC000702636414 685873843 /nfs/dbraw/zinc/87/38/43/685873843.db2.gz MLGNNQPIQRSVOU-DZGCQCFKSA-N 1 0 264.369 1.500 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000841881095 685931557 /nfs/dbraw/zinc/93/15/57/685931557.db2.gz NYAOSAQWXRTEOC-WDEREUQCSA-N 1 0 264.373 1.460 20 10 CDCDRO c1cc(CNC[C@H]2C[NH2+]CCCO2)cc2c1OCC2 ZINC000841085623 685935313 /nfs/dbraw/zinc/93/53/13/685935313.db2.gz JAEPXEOBVMDLBT-CQSZACIVSA-N 1 0 262.353 1.090 20 10 CDCDRO CC(C)OCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281189 685964238 /nfs/dbraw/zinc/96/42/38/685964238.db2.gz STPQQYDEWSMDNP-AWEZNQCLSA-N 1 0 279.384 1.294 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876713828 685996804 /nfs/dbraw/zinc/99/68/04/685996804.db2.gz UJCBKEBFFHXGJF-KBPBESRZSA-N 1 0 275.396 1.742 20 10 CDCDRO COc1ccc(CNC(=O)C2(C[NH3+])CCCC2)c(O)c1 ZINC000832178228 686004212 /nfs/dbraw/zinc/00/42/12/686004212.db2.gz OOJVHCWHXNWBBY-UHFFFAOYSA-N 1 0 278.352 1.536 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCCNC(C)=O)c1O ZINC000846138051 686067893 /nfs/dbraw/zinc/06/78/93/686067893.db2.gz XRRUTRGGWSNPNP-JTQLQIEISA-N 1 0 266.341 1.578 20 10 CDCDRO C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827725942 686196080 /nfs/dbraw/zinc/19/60/80/686196080.db2.gz QOXAOWJAYPRSJL-GLQYFDAESA-N 1 0 289.379 1.048 20 10 CDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000848567646 686285455 /nfs/dbraw/zinc/28/54/55/686285455.db2.gz YRVJAXPVZSGZGE-LLVKDONJSA-N 1 0 292.770 1.821 20 10 CDCDRO CC[NH+](CC)CCCNC(=O)C1=CC(=O)CS1 ZINC000854178040 686314072 /nfs/dbraw/zinc/31/40/72/686314072.db2.gz HFOJAHPNIDOCSQ-UHFFFAOYSA-N 1 0 256.371 1.915 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CSC1 ZINC000701974241 686317835 /nfs/dbraw/zinc/31/78/35/686317835.db2.gz YXNNYMILZNXLDK-UHFFFAOYSA-N 1 0 264.394 1.728 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000925410297 686346912 /nfs/dbraw/zinc/34/69/12/686346912.db2.gz ZPLDNIOKEGCFBJ-GHMZBOCLSA-N 1 0 293.367 1.465 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000382576608 686359261 /nfs/dbraw/zinc/35/92/61/686359261.db2.gz UGCSOLDHPIGHFM-RISCZKNCSA-N 1 0 253.342 1.749 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1 ZINC000883379204 686371516 /nfs/dbraw/zinc/37/15/16/686371516.db2.gz SBTGCLHDSOVXOL-AULYBMBSSA-N 1 0 299.392 1.456 20 10 CDCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000126767400 686477621 /nfs/dbraw/zinc/47/76/21/686477621.db2.gz WQENBSBNMDDIOT-CYBMUJFWSA-N 1 0 281.377 1.288 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](C)CS(C)(=O)=O)cc1Cl ZINC000825266306 686525876 /nfs/dbraw/zinc/52/58/76/686525876.db2.gz JONZUHKHZJWQCR-SECBINFHSA-N 1 0 291.800 1.877 20 10 CDCDRO COc1cccc(CNC(=O)NCC2([NH+](C)C)CC2)c1O ZINC000923007319 686573955 /nfs/dbraw/zinc/57/39/55/686573955.db2.gz KCZCREROFQEAMW-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922047093 686668801 /nfs/dbraw/zinc/66/88/01/686668801.db2.gz XZGLKCBRMNKKBV-LBPRGKRZSA-N 1 0 276.380 1.968 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[NH3+] ZINC000841989711 686672927 /nfs/dbraw/zinc/67/29/27/686672927.db2.gz WLIZJTWNLMERIN-NSHDSACASA-N 1 0 265.357 1.661 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1O ZINC000846152585 686719844 /nfs/dbraw/zinc/71/98/44/686719844.db2.gz ANTPQIWVJRDVRA-SMDDNHRTSA-N 1 0 295.379 1.839 20 10 CDCDRO CS[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840112508 686736239 /nfs/dbraw/zinc/73/62/39/686736239.db2.gz DFGRXBSKPGWQLY-GWCFXTLKSA-N 1 0 281.377 1.755 20 10 CDCDRO COC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000817943287 686742326 /nfs/dbraw/zinc/74/23/26/686742326.db2.gz UAAQAAAWMZCITK-HOTGVXAUSA-N 1 0 277.412 1.767 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113314144 686807805 /nfs/dbraw/zinc/80/78/05/686807805.db2.gz FVRHUJZWPHCJBK-UHFFFAOYSA-N 1 0 253.321 1.117 20 10 CDCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078557 686814107 /nfs/dbraw/zinc/81/41/07/686814107.db2.gz UWALGMIEYVDVHP-JZYVYDRUSA-N 1 0 256.708 1.492 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000382569229 686844902 /nfs/dbraw/zinc/84/49/02/686844902.db2.gz QBIPYVVIZBCXJZ-GFCCVEGCSA-N 1 0 259.733 1.533 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCC(N)=O)c(O)c1 ZINC000809713874 686854643 /nfs/dbraw/zinc/85/46/43/686854643.db2.gz OFETWMTZJMQTGJ-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1 ZINC000130957203 686860789 /nfs/dbraw/zinc/86/07/89/686860789.db2.gz PIBQNJTWKWXFQG-MGNBDDOMSA-N 1 0 271.382 1.600 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1c(O)cccc1OC ZINC000825067717 686911524 /nfs/dbraw/zinc/91/15/24/686911524.db2.gz DXFYJXMIGCCHLS-SECBINFHSA-N 1 0 252.314 1.015 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCOC1 ZINC000078449720 686929366 /nfs/dbraw/zinc/92/93/66/686929366.db2.gz GJHIXSPEKJCQFY-INIZCTEOSA-N 1 0 290.407 1.992 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000817412257 687048521 /nfs/dbraw/zinc/04/85/21/687048521.db2.gz HFEYOKVLLIBFLP-HAQNSBGRSA-N 1 0 292.379 1.782 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000825279480 687056007 /nfs/dbraw/zinc/05/60/07/687056007.db2.gz RFBNCPWKGSYYPI-QWHCGFSZSA-N 1 0 261.369 1.496 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000794369703 687070097 /nfs/dbraw/zinc/07/00/97/687070097.db2.gz JXMFNNVRHYDCFA-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1 ZINC000185361909 687072668 /nfs/dbraw/zinc/07/26/68/687072668.db2.gz LHMBUILIMACJII-OLZOCXBDSA-N 1 0 294.395 1.772 20 10 CDCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)[C@@H](C)[NH3+] ZINC000399618726 687078205 /nfs/dbraw/zinc/07/82/05/687078205.db2.gz YJJUDVJCUSYODX-BXUZGUMPSA-N 1 0 264.369 1.970 20 10 CDCDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000397964305 687086441 /nfs/dbraw/zinc/08/64/41/687086441.db2.gz JJBFMYITOIOIAQ-WPRPVWTQSA-N 1 0 267.350 1.962 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000775645534 687087811 /nfs/dbraw/zinc/08/78/11/687087811.db2.gz AXOXXRXBESCECY-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCNc2ncccn2)c1 ZINC000775760930 687090532 /nfs/dbraw/zinc/09/05/32/687090532.db2.gz ZBAVKCXADHTKBA-UHFFFAOYSA-N 1 0 288.351 1.783 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000230635653 687116427 /nfs/dbraw/zinc/11/64/27/687116427.db2.gz UPCIOPBHEKNMAY-LKFCYVNXSA-N 1 0 281.327 1.937 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCNC(=O)CC2)c1 ZINC000828682122 687116681 /nfs/dbraw/zinc/11/66/81/687116681.db2.gz IRKYPAPFQJLGFI-RYUDHWBXSA-N 1 0 292.379 1.968 20 10 CDCDRO Cc1nonc1CNCc1ccc(N(C)C)c(F)c1 ZINC000809744199 687131383 /nfs/dbraw/zinc/13/13/83/687131383.db2.gz ABKDLSITCNORAX-UHFFFAOYSA-N 1 0 264.304 1.873 20 10 CDCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883090040 687140326 /nfs/dbraw/zinc/14/03/26/687140326.db2.gz AUQFGMRGEUIQMN-BYCRGOAPSA-N 1 0 251.326 1.818 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCOC2)cc1Cl ZINC000825378835 687148023 /nfs/dbraw/zinc/14/80/23/687148023.db2.gz HUXNJWLEBZZNID-ZDUSSCGKSA-N 1 0 271.744 1.595 20 10 CDCDRO CC[N@H+](CC(N)=O)Cc1ccc2ccccc2c1O ZINC000816590412 687171424 /nfs/dbraw/zinc/17/14/24/687171424.db2.gz ZOUYKIZVDXBPMS-UHFFFAOYSA-N 1 0 258.321 1.853 20 10 CDCDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(O)c1O)C2 ZINC000854734669 687193277 /nfs/dbraw/zinc/19/32/77/687193277.db2.gz AWGWUMLRHIUUIW-INIZCTEOSA-N 1 0 290.363 1.656 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1OC ZINC000891395627 687203038 /nfs/dbraw/zinc/20/30/38/687203038.db2.gz UYXKOUWIEJQPNQ-LLVKDONJSA-N 1 0 294.351 1.107 20 10 CDCDRO COc1c(O)c(C[N@H+](C)C2(CO)CC2)ccc1[N+](=O)[O-] ZINC000827903613 687251484 /nfs/dbraw/zinc/25/14/84/687251484.db2.gz LVJMMPQEGQZFGE-UHFFFAOYSA-N 1 0 282.296 1.266 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1Cl ZINC000825773620 687282192 /nfs/dbraw/zinc/28/21/92/687282192.db2.gz LVHHEEDIWIBTBA-OQPBUACISA-N 1 0 282.771 1.968 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c(O)c1 ZINC000858602061 687286771 /nfs/dbraw/zinc/28/67/71/687286771.db2.gz PHQSUWQXUBPPBH-KBPBESRZSA-N 1 0 278.396 1.726 20 10 CDCDRO C[C@H](NC(=O)NC1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841882035 687345387 /nfs/dbraw/zinc/34/53/87/687345387.db2.gz GUUFEEIGJBPCBA-LBPRGKRZSA-N 1 0 290.411 1.865 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)C[C@@H](C)[NH3+])CC2)cc1 ZINC000828352707 687350697 /nfs/dbraw/zinc/35/06/97/687350697.db2.gz CDHANPBDNGNOAO-GFCCVEGCSA-N 1 0 291.395 1.518 20 10 CDCDRO O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000305726424 687362638 /nfs/dbraw/zinc/36/26/38/687362638.db2.gz HGEMMLROQQQGCE-CQSZACIVSA-N 1 0 294.370 1.619 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](CO)COC(C)C)c1 ZINC000809768247 687378072 /nfs/dbraw/zinc/37/80/72/687378072.db2.gz GFIYZQGTURVMNY-ZDUSSCGKSA-N 1 0 283.368 1.619 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000824815658 687387186 /nfs/dbraw/zinc/38/71/86/687387186.db2.gz WABLXNQKVJMWJI-MFKMUULPSA-N 1 0 279.336 1.978 20 10 CDCDRO C[C@H]1C[NH+]=C(NCc2ccc(N3CCSCC3)cc2)N1 ZINC000848993546 687470776 /nfs/dbraw/zinc/47/07/76/687470776.db2.gz IOLLJXKHOZKQBF-LBPRGKRZSA-N 1 0 290.436 1.677 20 10 CDCDRO COCC[NH2+]CCN[C@H](C)c1cc(F)ccc1O ZINC000817965011 687595174 /nfs/dbraw/zinc/59/51/74/687595174.db2.gz MQQSOIVTNBFVKQ-SNVBAGLBSA-N 1 0 256.321 1.418 20 10 CDCDRO COc1cccc(C[NH2+]CCc2cnc(C)cn2)c1O ZINC000835062986 687641485 /nfs/dbraw/zinc/64/14/85/687641485.db2.gz YAGHNYXTSNEDPE-UHFFFAOYSA-N 1 0 273.336 1.832 20 10 CDCDRO COc1cccc(O)c1CN(C)CC[N@H+](C)C1CC1 ZINC000809754189 687740313 /nfs/dbraw/zinc/74/03/13/687740313.db2.gz FIVGYUAKJGPVIF-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964481 687832185 /nfs/dbraw/zinc/83/21/85/687832185.db2.gz XOVDGBGFZZJUPY-HNNXBMFYSA-N 1 0 296.436 1.337 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000877787895 687839527 /nfs/dbraw/zinc/83/95/27/687839527.db2.gz RDQNZHMSMKHQAY-UHFFFAOYSA-N 1 0 291.395 1.642 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000321131009 687858880 /nfs/dbraw/zinc/85/88/80/687858880.db2.gz CAJHALAMKXRHTD-UHFFFAOYSA-N 1 0 284.787 1.592 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c(O)c1 ZINC000824709550 687865099 /nfs/dbraw/zinc/86/50/99/687865099.db2.gz RBCRTOASPLKSHX-CJNGLKHVSA-N 1 0 295.379 1.932 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882183 687883259 /nfs/dbraw/zinc/88/32/59/687883259.db2.gz XKIPHRQMZBVGRE-AAEUAGOBSA-N 1 0 278.400 1.850 20 10 CDCDRO CO[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOC1 ZINC000389169747 687884230 /nfs/dbraw/zinc/88/42/30/687884230.db2.gz HUYGDZLWJXOFBT-DOMZBBRYSA-N 1 0 263.337 1.775 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c(O)c1C ZINC000866497771 687964574 /nfs/dbraw/zinc/96/45/74/687964574.db2.gz LQQQFVDOSVOEPM-MRVWCRGKSA-N 1 0 265.353 1.809 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1 ZINC000841655435 688036929 /nfs/dbraw/zinc/03/69/29/688036929.db2.gz RUUNAYBOLCQSTN-UHFFFAOYSA-N 1 0 276.384 1.304 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1 ZINC000180784122 688070864 /nfs/dbraw/zinc/07/08/64/688070864.db2.gz OCTWPPASZMJLMP-CYBMUJFWSA-N 1 0 292.379 1.701 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)CCOCCO)cc1 ZINC000815110445 688104642 /nfs/dbraw/zinc/10/46/42/688104642.db2.gz WGIWUHWZXUWZQW-UHFFFAOYSA-N 1 0 266.385 1.583 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001170509789 1162685744 /nfs/dbraw/zinc/68/57/44/1162685744.db2.gz PCPQDLVOGXWGKL-VXGBXAGGSA-N 1 0 279.336 1.572 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001170510382 1162688822 /nfs/dbraw/zinc/68/88/22/1162688822.db2.gz VHLUEUPSFDSELZ-MNOVXSKESA-N 1 0 295.335 1.277 20 10 CDCDRO C[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)C[NH+](C)C ZINC001604183826 1163119188 /nfs/dbraw/zinc/11/91/88/1163119188.db2.gz FUEQVVXKSCSZKL-GHMZBOCLSA-N 1 0 280.368 1.939 20 10 CDCDRO C[C@]1(NCc2c(O)cccc2Br)CC[NH2+]C1 ZINC001576545384 1171452053 /nfs/dbraw/zinc/45/20/53/1171452053.db2.gz LDZKAXOSNILKRM-LBPRGKRZSA-N 1 0 285.185 1.996 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000229522974 1178130361 /nfs/dbraw/zinc/13/03/61/1178130361.db2.gz WMJGRDURZUPVGL-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173769534 912832907 /nfs/dbraw/zinc/83/29/07/912832907.db2.gz NBGYLACBUMDKLX-KGLIPLIRSA-N 1 0 287.367 1.994 20 10 CDCDRO Cc1cccc(CNC(=S)NCC[NH+](C)C)c1O ZINC001249849647 915067800 /nfs/dbraw/zinc/06/78/00/915067800.db2.gz PCEVOGNNQCYICO-UHFFFAOYSA-N 1 0 267.398 1.226 20 10 CDCDRO COC[C@@]1(C(=O)NCc2ccccc2O)CCCC[NH2+]1 ZINC000692202070 900205806 /nfs/dbraw/zinc/20/58/06/900205806.db2.gz CWVUOVSGQDVIRL-OAHLLOKOSA-N 1 0 278.352 1.167 20 10 CDCDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(O)c(O)c1)CC2 ZINC001270032652 904293764 /nfs/dbraw/zinc/29/37/64/904293764.db2.gz KIDUHZRWGRDHLX-UHFFFAOYSA-N 1 0 276.336 1.266 20 10 CDCDRO Oc1cccc(C[NH2+][C@H]2CCCC3(C2)OCCO3)c1O ZINC000715736435 921197285 /nfs/dbraw/zinc/19/72/85/921197285.db2.gz ZUXJDGLFGYTHJY-LBPRGKRZSA-N 1 0 279.336 1.873 20 10 CDCDRO Nc1ccc(CN2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206372204 915772548 /nfs/dbraw/zinc/77/25/48/915772548.db2.gz XUVJFZMDZNEOLS-AWEZNQCLSA-N 1 0 251.349 1.922 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)OC)cc1C ZINC001124599683 936324559 /nfs/dbraw/zinc/32/45/59/936324559.db2.gz DBYVJGDFTGNOBR-CYBMUJFWSA-N 1 0 294.395 1.634 20 10 CDCDRO COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc(O)c1O ZINC001204346497 917963104 /nfs/dbraw/zinc/96/31/04/917963104.db2.gz SKBQIBKRYPDQDR-MRXNPFEDSA-N 1 0 292.379 1.634 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)cc(O)c1O ZINC001204345964 917966625 /nfs/dbraw/zinc/96/66/25/917966625.db2.gz ZDZXYBNOCDMADH-CQSZACIVSA-N 1 0 267.325 1.453 20 10 CDCDRO CC(C)(O)CC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138130576 936476890 /nfs/dbraw/zinc/47/68/90/936476890.db2.gz CYXKNIVVATUNPC-UHFFFAOYSA-N 1 0 296.386 1.810 20 10 CDCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@](C)(O)C1 ZINC001139125158 936599760 /nfs/dbraw/zinc/59/97/60/936599760.db2.gz NTSRVBAPZIPTOE-MRXNPFEDSA-N 1 0 289.331 1.764 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCN(C=O)CC2)c(O)c1 ZINC000827878064 936612038 /nfs/dbraw/zinc/61/20/38/936612038.db2.gz ZVXPQOYAKDHAOT-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO Oc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1O ZINC000715596735 919913798 /nfs/dbraw/zinc/91/37/98/919913798.db2.gz QBZVIDHZPNDWOQ-UHFFFAOYSA-N 1 0 279.336 1.873 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCC34COC4)cc2)CC1 ZINC001139408875 936618183 /nfs/dbraw/zinc/61/81/83/936618183.db2.gz GJBJFXXQTCWEIW-UHFFFAOYSA-N 1 0 287.407 1.413 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2=O)cc1 ZINC001273527700 920168682 /nfs/dbraw/zinc/16/86/82/920168682.db2.gz ZUTGRRIXXHBPIA-KRWDZBQOSA-N 1 0 287.407 1.807 20 10 CDCDRO C[N@H+]1C[C@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@H]2C1 ZINC001139686364 936635934 /nfs/dbraw/zinc/63/59/34/936635934.db2.gz WDZWZFPXGUDDIR-AOOOYVTPSA-N 1 0 268.307 1.664 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC001140178647 936684359 /nfs/dbraw/zinc/68/43/59/936684359.db2.gz SBIRBYNKBYUATR-TZMCWYRMSA-N 1 0 265.353 1.184 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001140178437 936684511 /nfs/dbraw/zinc/68/45/11/936684511.db2.gz LQJXMWOZQUJXPA-OLZOCXBDSA-N 1 0 253.317 1.914 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1COC1 ZINC001140285453 936697954 /nfs/dbraw/zinc/69/79/54/936697954.db2.gz KTDFKZSYACQJEG-UHFFFAOYSA-N 1 0 290.407 1.726 20 10 CDCDRO Cc1ccc(O)c(CN2CCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC001140624337 936732540 /nfs/dbraw/zinc/73/25/40/936732540.db2.gz RIMNVFYSDYLBQI-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCc3nccn3CC2)c1O ZINC001140747468 936748913 /nfs/dbraw/zinc/74/89/13/936748913.db2.gz ATWYXLYLOMKUDT-UHFFFAOYSA-N 1 0 273.336 1.661 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001140748854 936749466 /nfs/dbraw/zinc/74/94/66/936749466.db2.gz MJNKQBYKRCEOIP-TXEJJXNPSA-N 1 0 261.321 1.817 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCCO1 ZINC001140954011 936783694 /nfs/dbraw/zinc/78/36/94/936783694.db2.gz IWGUPNYGWFMHJY-CQSZACIVSA-N 1 0 279.336 1.465 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC001141026753 936793954 /nfs/dbraw/zinc/79/39/54/936793954.db2.gz BHQJNXHLBUEVQI-LBPRGKRZSA-N 1 0 292.379 1.689 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@H]1O ZINC001141140684 936818867 /nfs/dbraw/zinc/81/88/67/936818867.db2.gz OKUAEZCOQYKTCE-DOMZBBRYSA-N 1 0 276.380 1.718 20 10 CDCDRO C[C@H]1COCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140891 936818996 /nfs/dbraw/zinc/81/89/96/936818996.db2.gz RCGJXUFYNIBBBG-CYBMUJFWSA-N 1 0 276.380 1.984 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)O1 ZINC001141161502 936823104 /nfs/dbraw/zinc/82/31/04/936823104.db2.gz SETMIZMCJLYWJZ-UHFFFAOYSA-N 1 0 278.308 1.172 20 10 CDCDRO COCCCC[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141163140 936823824 /nfs/dbraw/zinc/82/38/24/936823824.db2.gz REQGZMJPNMJRBQ-UHFFFAOYSA-N 1 0 294.395 1.642 20 10 CDCDRO [NH3+]CC[C@@H](NCc1cccc(F)c1O)C(F)(F)F ZINC000841091243 936975289 /nfs/dbraw/zinc/97/52/89/936975289.db2.gz VMDSIRYERLFCLI-SECBINFHSA-N 1 0 266.238 1.901 20 10 CDCDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccccc1O ZINC000692407165 937229640 /nfs/dbraw/zinc/22/96/40/937229640.db2.gz JQSAUNLZRWIFOK-LLVKDONJSA-N 1 0 286.397 1.324 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000883900147 930316293 /nfs/dbraw/zinc/31/62/93/930316293.db2.gz FMJPSTZQVZMMBF-NEPJUHHUSA-N 1 0 277.368 1.847 20 10 CDCDRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000886228640 930831756 /nfs/dbraw/zinc/83/17/56/930831756.db2.gz CMMUOXPCCUDZMB-GJZGRUSLSA-N 1 0 277.364 1.641 20 10 CDCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC001116505057 937452554 /nfs/dbraw/zinc/45/25/54/937452554.db2.gz BJXFQCFLHWSQCB-CYBMUJFWSA-N 1 0 292.379 1.979 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(O)c1 ZINC001144514969 931878644 /nfs/dbraw/zinc/87/86/44/931878644.db2.gz ZQJVOBNHRLGISP-JTQLQIEISA-N 1 0 290.323 1.232 20 10 CDCDRO CC(C)O[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515676 931880312 /nfs/dbraw/zinc/88/03/12/931880312.db2.gz VBYVBYFHDSZQKH-NSHDSACASA-N 1 0 267.325 1.803 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)CCO)c1 ZINC000846111217 931975243 /nfs/dbraw/zinc/97/52/43/931975243.db2.gz MXRMWYCGGYGMPD-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO O=C([C@H]1CC[NH2+]C[C@H]1F)N1CCc2cccc(O)c2C1 ZINC001160871985 932207213 /nfs/dbraw/zinc/20/72/13/932207213.db2.gz DRYXITHPORYEMI-WCQYABFASA-N 1 0 278.327 1.225 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000692021249 934187851 /nfs/dbraw/zinc/18/78/51/934187851.db2.gz LLTBPZAEUUWTHW-CQSZACIVSA-N 1 0 263.385 1.709 20 10 CDCDRO CON1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000692159942 934604093 /nfs/dbraw/zinc/60/40/93/934604093.db2.gz KBBWBXMSZBJGHC-UHFFFAOYSA-N 1 0 250.342 1.816 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COc1cc(C)c(C[N@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC001236813370 944578702 /nfs/dbraw/zinc/57/87/02/944578702.db2.gz JFBHRGWKDMNSSI-LLVKDONJSA-N 1 0 251.326 1.930 20 10 CDCDRO COc1cc(C)c(CN2CCOC[C@H]2C[NH+](C)C)c(O)c1 ZINC001236821777 944581716 /nfs/dbraw/zinc/58/17/16/944581716.db2.gz UCZQMDUBHOWFIV-CYBMUJFWSA-N 1 0 294.395 1.472 20 10 CDCDRO O=C(C[NH2+]Cc1ccc(N2CCCC2)cc1)NCC(F)F ZINC000393682629 944585627 /nfs/dbraw/zinc/58/56/27/944585627.db2.gz LDVNPWZCSIHXEB-UHFFFAOYSA-N 1 0 297.349 1.758 20 10 CDCDRO COc1cc(C[N@H+](C)CC2COC2)c(O)c(OC)c1 ZINC001237678017 944920050 /nfs/dbraw/zinc/92/00/50/944920050.db2.gz JFBHQAGXOVHOLD-UHFFFAOYSA-N 1 0 267.325 1.488 20 10 CDCDRO COc1cc(CN2CC[NH+](C3CC3)CC2)c(O)c(OC)c1 ZINC001237674769 944920430 /nfs/dbraw/zinc/92/04/30/944920430.db2.gz MSUWUTJNOODGRE-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)N(C)Cc1ccccc1O ZINC001261376839 946086202 /nfs/dbraw/zinc/08/62/02/946086202.db2.gz ZPSZUAMLYPHHDM-NSHDSACASA-N 1 0 265.357 1.389 20 10 CDCDRO COc1ccc(CN2CCC[C@H]([NH+](C)C)C2)c(O)c1OC ZINC001262356709 946603719 /nfs/dbraw/zinc/60/37/19/946603719.db2.gz KVHHSHMLWFUPID-ZDUSSCGKSA-N 1 0 294.395 1.935 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2ccc(N)cc2)C[C@H](C)O1 ZINC001262488099 946683476 /nfs/dbraw/zinc/68/34/76/946683476.db2.gz QKTNHQDIVUHUAM-SMDDNHRTSA-N 1 0 250.342 1.505 20 10 CDCDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N)cc1 ZINC001262603713 946759287 /nfs/dbraw/zinc/75/92/87/946759287.db2.gz SGCVAAIWVJEOFJ-AWEZNQCLSA-N 1 0 276.384 1.552 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CN1 ZINC001246344246 948120752 /nfs/dbraw/zinc/12/07/52/948120752.db2.gz PRPMDYLCXKSHIJ-AAEUAGOBSA-N 1 0 278.352 1.002 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC3(COC3)C2)c(O)c1 ZINC001249178414 949440889 /nfs/dbraw/zinc/44/08/89/949440889.db2.gz QXCYJEXKBGJBNV-UHFFFAOYSA-N 1 0 291.347 1.330 20 10 CDCDRO C[N@H+](Cc1ccc(Cl)cc1O)[C@H]1CCN2CCO[C@H]1C2 ZINC001308780059 956577556 /nfs/dbraw/zinc/57/75/56/956577556.db2.gz GLBJJPGNZYMGBA-ZFWWWQNUSA-N 1 0 296.798 1.951 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1Cl ZINC001330807700 956642161 /nfs/dbraw/zinc/64/21/61/956642161.db2.gz GXBZGIXERZKUPU-LLVKDONJSA-N 1 0 296.754 1.591 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CNCCO1 ZINC001331835580 957289837 /nfs/dbraw/zinc/28/98/37/957289837.db2.gz RIBGSHBEUZESPV-JHJVBQTASA-N 1 0 276.380 1.827 20 10 CDCDRO CN1CCN(c2ccc(CN3CC[C@H]([NH3+])C3)cc2F)CC1 ZINC001332339094 957524143 /nfs/dbraw/zinc/52/41/43/957524143.db2.gz JSODVDCJGBGDIP-AWEZNQCLSA-N 1 0 292.402 1.111 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(O)CCN(C)C1 ZINC001320514177 959215957 /nfs/dbraw/zinc/21/59/57/959215957.db2.gz OSSWJTQQXMPPEV-PBFPGSCMSA-N 1 0 290.407 1.905 20 10 CDCDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N)cc3)C2)C1 ZINC001335724105 959992963 /nfs/dbraw/zinc/99/29/63/959992963.db2.gz GRYDOULENYSCGI-INIZCTEOSA-N 1 0 288.395 1.506 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC001341560681 963463800 /nfs/dbraw/zinc/46/38/00/963463800.db2.gz SJENLUVJCGLGPG-AWEZNQCLSA-N 1 0 261.369 1.460 20 10 CDCDRO CCN(C(=O)Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001343641147 964072105 /nfs/dbraw/zinc/07/21/05/964072105.db2.gz NDCITKLSRKSMEK-UHFFFAOYSA-N 1 0 261.369 1.412 20 10 CDCDRO COc1ccc(CNC(=O)C[C@@H]([NH3+])CC(C)C)c(O)c1 ZINC001343661566 964082999 /nfs/dbraw/zinc/08/29/99/964082999.db2.gz WTQSHBLXUYQWIL-LBPRGKRZSA-N 1 0 280.368 1.781 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(O)CCOC2)cc1F ZINC001351328670 966913579 /nfs/dbraw/zinc/91/35/79/966913579.db2.gz DTDAQXSNTRUWMJ-CQSZACIVSA-N 1 0 286.322 1.272 20 10 CDCDRO Nc1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC001352791208 967484764 /nfs/dbraw/zinc/48/47/64/967484764.db2.gz VZXWMZZBARKYFM-UHFFFAOYSA-N 1 0 250.342 1.242 20 10 CDCDRO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccccc1O ZINC000271739584 362037804 /nfs/dbraw/zinc/03/78/04/362037804.db2.gz VCODNIFCXQEAGK-SNVBAGLBSA-N 1 0 272.295 1.814 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2cnn(C)c2C)c1 ZINC000162525131 362711007 /nfs/dbraw/zinc/71/10/07/362711007.db2.gz STJKNONJSDHBQF-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c1O ZINC000180042923 357239751 /nfs/dbraw/zinc/23/97/51/357239751.db2.gz VRHLABUIBIQIKL-ZDUSSCGKSA-N 1 0 262.353 1.657 20 10 CDCDRO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000188920205 357952392 /nfs/dbraw/zinc/95/23/92/357952392.db2.gz PMJUVKLSFCYRNO-CYBMUJFWSA-N 1 0 262.353 1.739 20 10 CDCDRO Cc1cc(C[NH2+][C@@H](CO)c2cnn(C)c2)ccc1N(C)C ZINC000294528402 199073917 /nfs/dbraw/zinc/07/39/17/199073917.db2.gz JMTKMRIXMKHPQO-HNNXBMFYSA-N 1 0 288.395 1.618 20 10 CDCDRO CN1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042879707 358983719 /nfs/dbraw/zinc/98/37/19/358983719.db2.gz PROVLFUUMRWYKK-UHFFFAOYSA-N 1 0 264.325 1.305 20 10 CDCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H](C)N1CCOCC1 ZINC000167685768 364943359 /nfs/dbraw/zinc/94/33/59/364943359.db2.gz COKJNBDZOAWSER-CHWSQXEVSA-N 1 0 291.395 1.037 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000271494023 364986455 /nfs/dbraw/zinc/98/64/55/364986455.db2.gz LAJHQRNASUSJGC-CJNGLKHVSA-N 1 0 278.396 1.945 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000169096477 365025995 /nfs/dbraw/zinc/02/59/95/365025995.db2.gz NWAHGJXHOZKCBH-DCXZOGHSSA-N 1 0 291.800 1.911 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000272830980 365415214 /nfs/dbraw/zinc/41/52/14/365415214.db2.gz HWTBDOWGEPSCBE-OLZOCXBDSA-N 1 0 264.369 1.764 20 10 CDCDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(F)ccc1O ZINC000273405889 365492215 /nfs/dbraw/zinc/49/22/15/365492215.db2.gz OJWPFFJYTBWPHU-YPMHNXCESA-N 1 0 282.359 1.639 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C(=O)NCCF)c1 ZINC000282652769 367976804 /nfs/dbraw/zinc/97/68/04/367976804.db2.gz LIPXEXVWPSCBQE-SNVBAGLBSA-N 1 0 284.331 1.355 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCOCCO)c1 ZINC000282731218 368011444 /nfs/dbraw/zinc/01/14/44/368011444.db2.gz MGQYYUVUXSFSDO-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO OCc1cn([C@H]2CCC[N@H+](Cc3ccccc3O)C2)nn1 ZINC000293541717 378573619 /nfs/dbraw/zinc/57/36/19/378573619.db2.gz CVQXXUGAURGAKX-AWEZNQCLSA-N 1 0 288.351 1.313 20 10 CDCDRO COCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000041378413 379371317 /nfs/dbraw/zinc/37/13/17/379371317.db2.gz PZNIKWCRHJLQDM-UHFFFAOYSA-N 1 0 264.369 1.854 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185331368 262050612 /nfs/dbraw/zinc/05/06/12/262050612.db2.gz PUBXUVHXALTTNF-VIFPVBQESA-N 1 0 275.345 1.617 20 10 CDCDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000121139844 390881136 /nfs/dbraw/zinc/88/11/36/390881136.db2.gz JIWSWQOTBZWNML-OAHLLOKOSA-N 1 0 297.395 1.627 20 10 CDCDRO C[NH+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000133732885 390937562 /nfs/dbraw/zinc/93/75/62/390937562.db2.gz VKSRPJVETQIOEZ-UHFFFAOYSA-N 1 0 288.395 1.424 20 10 CDCDRO Cc1cc(CN2CC[C@H](S(C)(=O)=O)C2)ccc1N(C)C ZINC000293988862 391040093 /nfs/dbraw/zinc/04/00/93/391040093.db2.gz FILWWIJVKICKGR-AWEZNQCLSA-N 1 0 296.436 1.680 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373274939 391113847 /nfs/dbraw/zinc/11/38/47/391113847.db2.gz ONHPRCKYXDLUDC-HNNXBMFYSA-N 1 0 263.337 1.748 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(c3ncccn3)CC2)c1O ZINC000183470071 391265374 /nfs/dbraw/zinc/26/53/74/391265374.db2.gz ZVGHYLJULSJUMV-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccccc1O ZINC000183490834 391265655 /nfs/dbraw/zinc/26/56/55/391265655.db2.gz COGIFMUKGFIWFR-ZDUSSCGKSA-N 1 0 291.395 1.207 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccccc1O ZINC000183543329 391266879 /nfs/dbraw/zinc/26/68/79/391266879.db2.gz ALIGPDPJCLREIP-MFKMUULPSA-N 1 0 253.367 1.911 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000271164453 391289738 /nfs/dbraw/zinc/28/97/38/391289738.db2.gz BRSZIMIYZXACOG-GFCCVEGCSA-N 1 0 278.352 1.453 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000195006863 391374555 /nfs/dbraw/zinc/37/45/55/391374555.db2.gz BGWABKITWHHUSW-TVQRCGJNSA-N 1 0 264.325 1.015 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](C)CS(C)(=O)=O)c1O ZINC000124814346 391404187 /nfs/dbraw/zinc/40/41/87/391404187.db2.gz JTYBAWOEVHQWCD-SNVBAGLBSA-N 1 0 257.355 1.223 20 10 CDCDRO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000281921985 391427456 /nfs/dbraw/zinc/42/74/56/391427456.db2.gz AFHACKXZZSBVRU-LLVKDONJSA-N 1 0 255.339 1.011 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1COC[C@H]1O ZINC000289544975 391615920 /nfs/dbraw/zinc/61/59/20/391615920.db2.gz IFBZZIQAJFQWDE-IAGOWNOFSA-N 1 0 290.407 1.868 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCn2cccn2)c1 ZINC000135753900 393309431 /nfs/dbraw/zinc/30/94/31/393309431.db2.gz XKTBRTDQWMOKLD-UHFFFAOYSA-N 1 0 261.325 1.777 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000038082638 174092156 /nfs/dbraw/zinc/09/21/56/174092156.db2.gz FHBGCKWSUQTKMO-GHMZBOCLSA-N 1 0 269.366 1.478 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036933064 260053065 /nfs/dbraw/zinc/05/30/65/260053065.db2.gz PBIGFZKVTDMASS-CHWSQXEVSA-N 1 0 294.395 1.772 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1F ZINC000157123691 261140788 /nfs/dbraw/zinc/14/07/88/261140788.db2.gz DNWXSYXUHFZGIB-CYBMUJFWSA-N 1 0 293.386 1.979 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)ccc21 ZINC000166474478 261390357 /nfs/dbraw/zinc/39/03/57/261390357.db2.gz PEKFNGIVTGBTNH-GJZGRUSLSA-N 1 0 287.407 1.813 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000179444415 261787363 /nfs/dbraw/zinc/78/73/63/261787363.db2.gz POWFHNUYDCOMMM-LBPRGKRZSA-N 1 0 294.395 1.793 20 10 CDCDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000179582530 261799430 /nfs/dbraw/zinc/79/94/30/261799430.db2.gz GXVMXWIGUWVDHE-OLZOCXBDSA-N 1 0 264.369 1.555 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000363883755 262001346 /nfs/dbraw/zinc/00/13/46/262001346.db2.gz DNKUCRZOFHICAE-AWEZNQCLSA-N 1 0 262.353 1.217 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186203170 262084474 /nfs/dbraw/zinc/08/44/74/262084474.db2.gz NHWORQDBNWOKHD-VXGBXAGGSA-N 1 0 253.342 1.749 20 10 CDCDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000135719891 264606462 /nfs/dbraw/zinc/60/64/62/264606462.db2.gz HEVXUHLGHLOZGV-LLVKDONJSA-N 1 0 250.342 1.958 20 10 CDCDRO CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278529247 328226420 /nfs/dbraw/zinc/22/64/20/328226420.db2.gz UPAFRLNLHJYKNB-UHFFFAOYSA-N 1 0 284.312 1.777 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1O ZINC000278565129 328227410 /nfs/dbraw/zinc/22/74/10/328227410.db2.gz BTEGMXPVDCWUAG-JOYOIKCWSA-N 1 0 296.323 1.512 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(N(C)C)cc1 ZINC000278669413 327182212 /nfs/dbraw/zinc/18/22/12/327182212.db2.gz FTWBTJMUUANBBN-HEHGZKQESA-N 1 0 278.396 1.943 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)N(C)C2CC2)c1 ZINC000224805516 333225916 /nfs/dbraw/zinc/22/59/16/333225916.db2.gz MBEFIDGKQHWUDE-LLVKDONJSA-N 1 0 264.369 1.973 20 10 CDCDRO CC(C)[C@H](CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230688568 333320946 /nfs/dbraw/zinc/32/09/46/333320946.db2.gz PGLVDZPBWNMSEV-NSHDSACASA-N 1 0 267.325 1.618 20 10 CDCDRO CC(C)(CCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000231399718 333324907 /nfs/dbraw/zinc/32/49/07/333324907.db2.gz BSTDTSIQJRFQKO-UHFFFAOYSA-N 1 0 267.325 1.619 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1O ZINC000252546041 334382534 /nfs/dbraw/zinc/38/25/34/334382534.db2.gz KBGZFIYNAOOLAH-MELADBBJSA-N 1 0 276.380 1.906 20 10 CDCDRO CC(C)[C@@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000292536811 519800707 /nfs/dbraw/zinc/80/07/07/519800707.db2.gz GACUODZMUSWAHS-KRWDZBQOSA-N 1 0 292.423 1.972 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000157179676 520352145 /nfs/dbraw/zinc/35/21/45/520352145.db2.gz DVUPYOTVVBXMPM-LBPRGKRZSA-N 1 0 278.352 1.488 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(CCOC)C2)c1 ZINC000264630503 521155968 /nfs/dbraw/zinc/15/59/68/521155968.db2.gz TZYWFVOTJJXCSB-AWEZNQCLSA-N 1 0 294.395 1.601 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H](C[NH3+])OC ZINC000278170880 521687594 /nfs/dbraw/zinc/68/75/94/521687594.db2.gz CKSUFZDVZWKRKY-CYBMUJFWSA-N 1 0 280.368 1.495 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000278261266 521868644 /nfs/dbraw/zinc/86/86/44/521868644.db2.gz QMIBBYPFLSFQBA-CQSZACIVSA-N 1 0 296.323 1.656 20 10 CDCDRO COC(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)[nH]1 ZINC000289455321 522035271 /nfs/dbraw/zinc/03/52/71/522035271.db2.gz NRHJNHFTWZUSER-UHFFFAOYSA-N 1 0 290.319 1.805 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1OC ZINC000280307218 522779792 /nfs/dbraw/zinc/77/97/92/522779792.db2.gz PIPTZEUXFBGCNL-HNNXBMFYSA-N 1 0 294.351 1.107 20 10 CDCDRO CC[C@@H]([NH2+]CC[C@H](O)COC)c1ccccc1O ZINC000156986614 522839938 /nfs/dbraw/zinc/83/99/38/522839938.db2.gz AYGOYPXRRFWQIT-WCQYABFASA-N 1 0 253.342 1.830 20 10 CDCDRO C[N@H+](CCNC(=O)Cc1ccc(N)cc1)C1CCCC1 ZINC000071376431 522849056 /nfs/dbraw/zinc/84/90/56/522849056.db2.gz IAEYCGPOAPXZBQ-UHFFFAOYSA-N 1 0 275.396 1.802 20 10 CDCDRO COCCC[N@H+](CCO)Cc1c(O)cccc1Cl ZINC000275962697 523245669 /nfs/dbraw/zinc/24/56/69/523245669.db2.gz KVASZQQKXLXHNV-UHFFFAOYSA-N 1 0 273.760 1.876 20 10 CDCDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000061375874 523610738 /nfs/dbraw/zinc/61/07/38/523610738.db2.gz SREQXLWGCSNNMX-CYBMUJFWSA-N 1 0 266.385 1.929 20 10 CDCDRO COCCOCC[N@H+](C)Cc1cc(F)ccc1O ZINC000290185549 524000645 /nfs/dbraw/zinc/00/06/45/524000645.db2.gz OBHYWOAXEOVARV-UHFFFAOYSA-N 1 0 257.305 1.626 20 10 CDCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880247 524325264 /nfs/dbraw/zinc/32/52/64/524325264.db2.gz KXBVKFSRXUFNGH-SNVBAGLBSA-N 1 0 292.335 1.221 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCCCO)CC2)cc1 ZINC000049873905 524424898 /nfs/dbraw/zinc/42/48/98/524424898.db2.gz USJZLCWNZVZNQO-UHFFFAOYSA-N 1 0 278.396 1.980 20 10 CDCDRO C[C@@H](CCCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000094941932 524463305 /nfs/dbraw/zinc/46/33/05/524463305.db2.gz UCHZATBTZBMSNF-VIFPVBQESA-N 1 0 253.298 1.372 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+](C)CC1 ZINC000274944511 524697090 /nfs/dbraw/zinc/69/70/90/524697090.db2.gz QJPKOQFKQLZLMQ-LLVKDONJSA-N 1 0 292.379 1.487 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227981456 525584307 /nfs/dbraw/zinc/58/43/07/525584307.db2.gz BGLGKQJGVFRIIT-XHDPSFHLSA-N 1 0 263.337 1.251 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c(O)c1 ZINC000068800523 525727072 /nfs/dbraw/zinc/72/70/72/525727072.db2.gz KPPGIUKOZPLNFD-ZIAGYGMSSA-N 1 0 277.412 1.597 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000295218887 527479295 /nfs/dbraw/zinc/47/92/95/527479295.db2.gz QTMMORRZUPKNAK-ZFWWWQNUSA-N 1 0 275.396 1.835 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262258199 527480775 /nfs/dbraw/zinc/48/07/75/527480775.db2.gz UDRNGCQBQQIRCJ-WMLDXEAASA-N 1 0 287.407 1.707 20 10 CDCDRO C[NH+]1CCC(NC(=S)NCc2ccccc2O)CC1 ZINC000748159294 574512769 /nfs/dbraw/zinc/51/27/69/574512769.db2.gz VOQQNYGWYIZZIE-UHFFFAOYSA-N 1 0 279.409 1.451 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(OCCO)CC2)c1 ZINC000769537582 575357765 /nfs/dbraw/zinc/35/77/65/575357765.db2.gz MMXNUIRDPBCXGV-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO Cn1cccc1C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462685 576286945 /nfs/dbraw/zinc/28/69/45/576286945.db2.gz BJWITQHSICNRDN-HNNXBMFYSA-N 1 0 288.347 1.789 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000768519561 576292251 /nfs/dbraw/zinc/29/22/51/576292251.db2.gz QXBRVPPHGBBUSX-RYUDHWBXSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(CN2CC[NH+](C(C)(C)CO)CC2)c1O ZINC000769447625 576354553 /nfs/dbraw/zinc/35/45/53/576354553.db2.gz YYSLHIHQNASVJV-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)CCCO)c(O)c1 ZINC000769482921 576358100 /nfs/dbraw/zinc/35/81/00/576358100.db2.gz LIGKEILUTONYGL-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000742375138 576598519 /nfs/dbraw/zinc/59/85/19/576598519.db2.gz IUTVJDCZHJEHRM-HNNXBMFYSA-N 1 0 277.320 1.991 20 10 CDCDRO CCc1nncn1CC[NH2+]Cc1c(O)cccc1Cl ZINC000742388438 576599794 /nfs/dbraw/zinc/59/97/94/576599794.db2.gz OVVWKYUUHMZLOV-UHFFFAOYSA-N 1 0 280.759 1.989 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000743638980 576648642 /nfs/dbraw/zinc/64/86/42/576648642.db2.gz TXDKJZPSVDYLRB-DTWKUNHWSA-N 1 0 254.355 1.666 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000753807334 576860233 /nfs/dbraw/zinc/86/02/33/576860233.db2.gz XCBRHVFDLHPUPT-UHFFFAOYSA-N 1 0 287.363 1.898 20 10 CDCDRO C[NH+](C)[C@@]1(CNC(=O)C2=CC(=O)CS2)CCSC1 ZINC000748432615 576912487 /nfs/dbraw/zinc/91/24/87/576912487.db2.gz BIZMWAKZMOURIS-GFCCVEGCSA-N 1 0 286.422 1.621 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000749130007 576936653 /nfs/dbraw/zinc/93/66/53/576936653.db2.gz OPGJGFBDEJZKKJ-OLZOCXBDSA-N 1 0 291.395 1.438 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000756759559 577003235 /nfs/dbraw/zinc/00/32/35/577003235.db2.gz NAVIDBLQVSYGMK-HWWQOWPSSA-N 1 0 294.395 1.771 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CC2(CO)COC2)C2CC2)cc1 ZINC000757390713 577039730 /nfs/dbraw/zinc/03/97/30/577039730.db2.gz ZMYFAUFACBGMRW-UHFFFAOYSA-N 1 0 290.407 1.726 20 10 CDCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000891457173 617420768 /nfs/dbraw/zinc/42/07/68/617420768.db2.gz XNAOPSNDNNJFCL-PWSUYJOCSA-N 1 0 294.374 1.523 20 10 CDCDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000892492601 617423562 /nfs/dbraw/zinc/42/35/62/617423562.db2.gz WMCKCZBKVPVZCH-CYBMUJFWSA-N 1 0 291.395 1.970 20 10 CDCDRO [NH3+]C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1CCCC1 ZINC000892090079 617473243 /nfs/dbraw/zinc/47/32/43/617473243.db2.gz CHSJLEOHMLEFCD-CQSZACIVSA-N 1 0 289.379 1.935 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1O ZINC000892097862 617480205 /nfs/dbraw/zinc/48/02/05/617480205.db2.gz SRTNHQPRVBWKAO-UTUOFQBUSA-N 1 0 277.368 1.893 20 10 CDCDRO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892141166 617503632 /nfs/dbraw/zinc/50/36/32/617503632.db2.gz OBVPUIIMFDALCJ-MNOVXSKESA-N 1 0 265.357 1.880 20 10 CDCDRO OC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCOC1 ZINC000840964333 617851475 /nfs/dbraw/zinc/85/14/75/617851475.db2.gz ZZTUCCAUKLPKCC-ZWNOBZJWSA-N 1 0 285.771 1.923 20 10 CDCDRO CC[S@@](=O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892950266 617965752 /nfs/dbraw/zinc/96/57/52/617965752.db2.gz BRCYSBBTOCCSFI-LJQANCHMSA-N 1 0 287.381 1.268 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C[S@@](C)=O)c(O)c1OC ZINC000893527451 618032768 /nfs/dbraw/zinc/03/27/68/618032768.db2.gz YHDOSGMMZPIDFX-AYLIAGHASA-N 1 0 287.381 1.266 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c(O)c1OC ZINC000894118100 618469742 /nfs/dbraw/zinc/46/97/42/618469742.db2.gz LDGSBUCIKCKOQY-BMIGLBTASA-N 1 0 297.351 1.039 20 10 CDCDRO COC[C@@]1(CNCc2ccc(N(C)C)c(F)c2)CCC[NH2+]1 ZINC000841067576 618680091 /nfs/dbraw/zinc/68/00/91/618680091.db2.gz NHFWGZYOLIPDHY-INIZCTEOSA-N 1 0 295.402 1.750 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1O ZINC000894453299 618894345 /nfs/dbraw/zinc/89/43/45/618894345.db2.gz OCNSUYCMGNAMMT-JEOXALJRSA-N 1 0 285.409 1.908 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCCC2=O)c(O)c1OC ZINC000895175309 619419202 /nfs/dbraw/zinc/41/92/02/619419202.db2.gz KRHZHFXOVSGESQ-UHFFFAOYSA-N 1 0 294.351 1.121 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1F ZINC000895332192 619577875 /nfs/dbraw/zinc/57/78/75/619577875.db2.gz SFXVSDQDHRJMHX-IUODEOHRSA-N 1 0 282.359 1.209 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2COCC[C@H]2OC)c1O ZINC000897889669 621194781 /nfs/dbraw/zinc/19/47/81/621194781.db2.gz XMUJEYMKNZYZEG-CHWSQXEVSA-N 1 0 281.352 1.603 20 10 CDCDRO CC[C@@H](COC)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046160 621589739 /nfs/dbraw/zinc/58/97/39/621589739.db2.gz XEJUNLUIWXTUBC-DZGCQCFKSA-N 1 0 265.401 1.767 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCN3C)CC2)cc1 ZINC000903325025 625968740 /nfs/dbraw/zinc/96/87/40/625968740.db2.gz XPSJTPOODSJTCE-MRXNPFEDSA-N 1 0 289.423 1.958 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841084969 628056302 /nfs/dbraw/zinc/05/63/02/628056302.db2.gz RCKMOYHQUSGVMN-KOLCDFICSA-N 1 0 295.339 1.526 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CNCCO1 ZINC000841098886 630568727 /nfs/dbraw/zinc/56/87/27/630568727.db2.gz JXSDAWCPIXPLFR-LLVKDONJSA-N 1 0 256.733 1.124 20 10 CDCDRO C[N@@H+]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477632 693924864 /nfs/dbraw/zinc/92/48/64/693924864.db2.gz VHSAJSILPBHCEK-VIFPVBQESA-N 1 0 268.744 1.614 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNc1nccnc1C[NH3+] ZINC001348000213 1158760680 /nfs/dbraw/zinc/76/06/80/1158760680.db2.gz IDTUFMWBFMCHDH-UHFFFAOYSA-N 1 0 271.368 1.922 20 10 CDCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876794770 695128284 /nfs/dbraw/zinc/12/82/84/695128284.db2.gz DWNBMIQQYOZCSZ-AWEZNQCLSA-N 1 0 267.300 1.788 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c1O ZINC000846143731 694011709 /nfs/dbraw/zinc/01/17/09/694011709.db2.gz GKKKDPTZQCQVCE-CHWSQXEVSA-N 1 0 294.395 1.772 20 10 CDCDRO COc1ccc(CNC(=O)NCCCCCC[NH3+])c(O)c1 ZINC000831281728 694045992 /nfs/dbraw/zinc/04/59/92/694045992.db2.gz XVRRTPYTQFMDMS-UHFFFAOYSA-N 1 0 295.383 1.719 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3C[C@@H]3C1)[C@@H](O)CO2 ZINC000853577716 694067378 /nfs/dbraw/zinc/06/73/78/694067378.db2.gz VENGJGFXRITEJC-RULNRJAQSA-N 1 0 261.321 1.660 20 10 CDCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305739560 694072767 /nfs/dbraw/zinc/07/27/67/694072767.db2.gz XSHJAASMKGMOFY-OAHLLOKOSA-N 1 0 262.353 1.090 20 10 CDCDRO CCCOCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278513 694187624 /nfs/dbraw/zinc/18/76/24/694187624.db2.gz DGTPSJYYUWZAON-CQSZACIVSA-N 1 0 279.384 1.295 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535586 688302833 /nfs/dbraw/zinc/30/28/33/688302833.db2.gz NBQHHMIMKQJQTP-UHFFFAOYSA-N 1 0 274.267 1.458 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873217268 688315352 /nfs/dbraw/zinc/31/53/52/688315352.db2.gz YWJFXROZVFFSAE-GASCZTMLSA-N 1 0 259.397 1.997 20 10 CDCDRO CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649120 688319149 /nfs/dbraw/zinc/31/91/49/688319149.db2.gz ISKDJPVHMMBDLT-NEPJUHHUSA-N 1 0 252.358 1.355 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000857226524 688329139 /nfs/dbraw/zinc/32/91/39/688329139.db2.gz QMLAUKBYTOTMEK-WBMJQRKESA-N 1 0 292.379 1.723 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000840967377 688342091 /nfs/dbraw/zinc/34/20/91/688342091.db2.gz ZOBXGILXIWVSCU-UHFFFAOYSA-N 1 0 296.436 1.728 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCO[C@@H]2CCOC2)c1 ZINC000922939093 688388817 /nfs/dbraw/zinc/38/88/17/688388817.db2.gz LGGGJPVLCSIKNY-CQSZACIVSA-N 1 0 281.352 1.686 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000310866887 688401087 /nfs/dbraw/zinc/40/10/87/688401087.db2.gz PXMMARKXAITJNC-AWEZNQCLSA-N 1 0 250.317 1.717 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834783262 688401721 /nfs/dbraw/zinc/40/17/21/688401721.db2.gz DABCKOVRADSIDL-ZIAGYGMSSA-N 1 0 295.379 1.383 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH2+]CCOC ZINC000092495806 688430442 /nfs/dbraw/zinc/43/04/42/688430442.db2.gz JZAUBCKOSKHICA-UHFFFAOYSA-N 1 0 293.411 1.337 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@H](CO)COC(C)C)c(O)c1 ZINC000877531489 688543514 /nfs/dbraw/zinc/54/35/14/688543514.db2.gz NXXJHRUGVYLXPD-CQSZACIVSA-N 1 0 267.369 1.918 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)c(O)c1 ZINC000839197088 688637279 /nfs/dbraw/zinc/63/72/79/688637279.db2.gz ZUAXKADCZAHBEJ-LBPRGKRZSA-N 1 0 278.352 1.407 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C2(CO)CCC2)cc1OC ZINC000827904184 694222485 /nfs/dbraw/zinc/22/24/85/694222485.db2.gz VQMJRHSETKCJEC-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1OC ZINC000891393797 688678595 /nfs/dbraw/zinc/67/85/95/688678595.db2.gz RCCLWQHUAYKYQI-NSHDSACASA-N 1 0 281.352 1.614 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC([NH3+])CC2)c1O ZINC000050158313 688706837 /nfs/dbraw/zinc/70/68/37/688706837.db2.gz XMIBBHDCGVZHJX-UHFFFAOYSA-N 1 0 266.316 1.657 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000830109042 688764470 /nfs/dbraw/zinc/76/44/70/688764470.db2.gz BPVJGTYPWWNRDO-UKRRQHHQSA-N 1 0 264.369 1.564 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1C ZINC000839195620 688777103 /nfs/dbraw/zinc/77/71/03/688777103.db2.gz LVLGOTSTMZFZDY-CYBMUJFWSA-N 1 0 262.353 1.619 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000852771585 688790512 /nfs/dbraw/zinc/79/05/12/688790512.db2.gz GMAZCYGFRMENBP-HNNXBMFYSA-N 1 0 291.395 1.342 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000856073271 688797694 /nfs/dbraw/zinc/79/76/94/688797694.db2.gz MSRMOGKMQSAQTB-AGLBCWCQSA-N 1 0 290.363 1.712 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377136 688858723 /nfs/dbraw/zinc/85/87/23/688858723.db2.gz MZRSSONHKOBTEC-CZUORRHYSA-N 1 0 280.412 1.589 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000872141164 688881435 /nfs/dbraw/zinc/88/14/35/688881435.db2.gz OMIDWRNXTNLUCN-GAJTVXKRSA-N 1 0 267.325 1.201 20 10 CDCDRO CON(C)C(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879649248 694246409 /nfs/dbraw/zinc/24/64/09/694246409.db2.gz LRUOXWGLEPYTJJ-SNVBAGLBSA-N 1 0 252.314 1.453 20 10 CDCDRO CCOc1ccc(CN2CCC[C@@H]2C[NH2+]C)c(O)c1 ZINC000843055248 694262253 /nfs/dbraw/zinc/26/22/53/694262253.db2.gz HQJQMDWHGUPQML-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CCOC[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877655542 694365306 /nfs/dbraw/zinc/36/53/06/694365306.db2.gz BMTHROKDGMZKIF-ZDUSSCGKSA-N 1 0 265.353 1.938 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+]Cc1c(C)cccc1O ZINC000877475093 694368978 /nfs/dbraw/zinc/36/89/78/694368978.db2.gz LURCPIYTLQBMDL-ZDUSSCGKSA-N 1 0 283.368 1.204 20 10 CDCDRO COc1ccc(CNC(=O)[C@H](C)[NH2+]C2CC2)c(O)c1 ZINC000832178042 694372532 /nfs/dbraw/zinc/37/25/32/694372532.db2.gz LIRRFVBJLMRIJV-VIFPVBQESA-N 1 0 264.325 1.158 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c1 ZINC000071407152 694376030 /nfs/dbraw/zinc/37/60/30/694376030.db2.gz BZJQCHWDTJAGOW-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H](CO)OC[C@H]2C)c1O ZINC000848890191 694464752 /nfs/dbraw/zinc/46/47/52/694464752.db2.gz PUTWGJWVKSJTCI-RISCZKNCSA-N 1 0 265.353 1.536 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000775748390 694487801 /nfs/dbraw/zinc/48/78/01/694487801.db2.gz XZWHXOWRUOAIKC-RYUDHWBXSA-N 1 0 278.352 1.061 20 10 CDCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N(C)C)cc1C ZINC000829764788 692169964 /nfs/dbraw/zinc/16/99/64/692169964.db2.gz XNMDEDHPJXAVIM-AWEZNQCLSA-N 1 0 279.384 1.041 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)CC2(F)F)cc1 ZINC000832267331 692253883 /nfs/dbraw/zinc/25/38/83/692253883.db2.gz QPFBSWQRKSSFMP-GXTWGEPZSA-N 1 0 297.349 1.914 20 10 CDCDRO COC[C@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400354 692265670 /nfs/dbraw/zinc/26/56/70/692265670.db2.gz ANCDDVCJWXNTSW-CQSZACIVSA-N 1 0 282.384 1.071 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000829764566 692299191 /nfs/dbraw/zinc/29/91/91/692299191.db2.gz OZMAYRQEICTSRR-HNNXBMFYSA-N 1 0 275.396 1.805 20 10 CDCDRO Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(O)c1O ZINC000887929070 692305919 /nfs/dbraw/zinc/30/59/19/692305919.db2.gz HPKJFAUREBNBFZ-BZNIZROVSA-N 1 0 290.363 1.430 20 10 CDCDRO Nc1ccc(CCNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000818545122 692334153 /nfs/dbraw/zinc/33/41/53/692334153.db2.gz JWJFPBRQKZIFCH-UHFFFAOYSA-N 1 0 287.407 1.802 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000788268998 692404827 /nfs/dbraw/zinc/40/48/27/692404827.db2.gz JZQBNJSQLOMDLY-PSASIEDQSA-N 1 0 251.282 1.076 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000846158245 692470731 /nfs/dbraw/zinc/47/07/31/692470731.db2.gz VOIJFQFCQFHFTB-GXFFZTMASA-N 1 0 291.351 1.519 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)[C@H]1C ZINC000787421158 692522054 /nfs/dbraw/zinc/52/20/54/692522054.db2.gz OBLBCNGZOHIZPP-GWCFXTLKSA-N 1 0 279.336 1.784 20 10 CDCDRO COc1cccc(C[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000817411638 692712684 /nfs/dbraw/zinc/71/26/84/692712684.db2.gz WLTAHYQIIPMOCJ-UHFFFAOYSA-N 1 0 264.325 1.146 20 10 CDCDRO Oc1ccc(Cl)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846068527 692745888 /nfs/dbraw/zinc/74/58/88/692745888.db2.gz WEMUALJRALZXCR-CYBMUJFWSA-N 1 0 282.771 1.296 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(C)=O)C[C@H]2C)cc1C ZINC001054305895 692774320 /nfs/dbraw/zinc/77/43/20/692774320.db2.gz PQLKWRXRNJEORN-IUODEOHRSA-N 1 0 276.380 1.960 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H](C[NH3+])CC(C)C)c(O)c1 ZINC000841955171 692781922 /nfs/dbraw/zinc/78/19/22/692781922.db2.gz ZXTBXHBGHXJDQA-LBPRGKRZSA-N 1 0 295.383 1.573 20 10 CDCDRO C[NH+](C)CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126326425 692793826 /nfs/dbraw/zinc/79/38/26/692793826.db2.gz WCUYYEPAOQDYEX-UHFFFAOYSA-N 1 0 278.352 1.512 20 10 CDCDRO CC[C@H](OC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280307 692835261 /nfs/dbraw/zinc/83/52/61/692835261.db2.gz OSXLLSDTCDKJQY-KBPBESRZSA-N 1 0 279.384 1.294 20 10 CDCDRO CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CC[NH2+]1 ZINC000707553434 692889985 /nfs/dbraw/zinc/88/99/85/692889985.db2.gz XSRBPAHCAVTNQS-LLVKDONJSA-N 1 0 264.325 1.168 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000827500803 692907882 /nfs/dbraw/zinc/90/78/82/692907882.db2.gz KKZDZPTVVVIMJN-PHIMTYICSA-N 1 0 265.309 1.442 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000798958024 692961650 /nfs/dbraw/zinc/96/16/50/692961650.db2.gz XUDJEOBJACHREZ-HIFRSBDPSA-N 1 0 289.379 1.683 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000858194921 692981130 /nfs/dbraw/zinc/98/11/30/692981130.db2.gz LIPDUOSATNPADN-UHFFFAOYSA-N 1 0 279.384 1.840 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1F ZINC000873177470 693066682 /nfs/dbraw/zinc/06/66/82/693066682.db2.gz NYPPNCOGYBAFBI-HAQNSBGRSA-N 1 0 252.333 1.752 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000802660620 693088176 /nfs/dbraw/zinc/08/81/76/693088176.db2.gz RJERFFSNHSAODO-ZDUSSCGKSA-N 1 0 255.289 1.307 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC[NH3+] ZINC000037807408 693090812 /nfs/dbraw/zinc/09/08/12/693090812.db2.gz VGFWPVWJVHYFQY-UHFFFAOYSA-N 1 0 263.385 1.840 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)CC[NH3+])CC2)cc1 ZINC000167241357 693101649 /nfs/dbraw/zinc/10/16/49/693101649.db2.gz TYLKTFRJDSONLB-UHFFFAOYSA-N 1 0 277.368 1.129 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936981 693138137 /nfs/dbraw/zinc/13/81/37/693138137.db2.gz PNELAJCVQFJGON-GFCCVEGCSA-N 1 0 263.385 1.675 20 10 CDCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1nnc[nH]1 ZINC000790975011 693149837 /nfs/dbraw/zinc/14/98/37/693149837.db2.gz YJFBMVBBGORHEU-UHFFFAOYSA-N 1 0 270.695 1.635 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1OC ZINC000190045940 693158899 /nfs/dbraw/zinc/15/88/99/693158899.db2.gz MHJGXWXKKDRSNZ-PWSUYJOCSA-N 1 0 281.352 1.612 20 10 CDCDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000188678623 693215824 /nfs/dbraw/zinc/21/58/24/693215824.db2.gz KWZJYUSVLYKRCB-HIFRSBDPSA-N 1 0 278.396 1.945 20 10 CDCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922183270 693239274 /nfs/dbraw/zinc/23/92/74/693239274.db2.gz QHMKFVLZMCWAAD-LSDHHAIUSA-N 1 0 279.380 1.623 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)CC(C)C)c1 ZINC000224572008 693245210 /nfs/dbraw/zinc/24/52/10/693245210.db2.gz GGFHVCAHCZGLRH-GFCCVEGCSA-N 1 0 253.342 1.897 20 10 CDCDRO COCC1([NH2+]Cc2cc(OC)ccc2O)CCOCC1 ZINC000816625669 693287614 /nfs/dbraw/zinc/28/76/14/693287614.db2.gz KNLGKCGFYVCBNG-UHFFFAOYSA-N 1 0 281.352 1.686 20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(Cl)ccc1O ZINC000843124107 693311812 /nfs/dbraw/zinc/31/18/12/693311812.db2.gz VEDKUIBFPXZEPK-LBPRGKRZSA-N 1 0 298.770 1.383 20 10 CDCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000788270866 693333582 /nfs/dbraw/zinc/33/35/82/693333582.db2.gz UPYKLCCRVYYTIV-JQWIXIFHSA-N 1 0 252.333 1.847 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]2(C)CO)cc1OC ZINC000789556578 694641454 /nfs/dbraw/zinc/64/14/54/694641454.db2.gz CTUOMDFXIIIPCI-OAHLLOKOSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1 ZINC000168829090 693348302 /nfs/dbraw/zinc/34/83/02/693348302.db2.gz GVEGHMYVEIYNDE-RKDXNWHRSA-N 1 0 252.314 1.315 20 10 CDCDRO CC[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(C)cc1O ZINC000794817938 694656820 /nfs/dbraw/zinc/65/68/20/694656820.db2.gz RMTKMGLLFFQFJM-AWEZNQCLSA-N 1 0 292.379 1.600 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1 ZINC000228930257 693378753 /nfs/dbraw/zinc/37/87/53/693378753.db2.gz OFNGBIHDBFKCBL-QWRGUYRKSA-N 1 0 280.368 1.965 20 10 CDCDRO COc1cc(O)c(CN2CCC(C)([NH3+])CC2)cc1OC ZINC000843108453 693380549 /nfs/dbraw/zinc/38/05/49/693380549.db2.gz STODQPFSJKJESG-UHFFFAOYSA-N 1 0 280.368 1.723 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCS(=O)(=O)C1 ZINC000843350073 693414438 /nfs/dbraw/zinc/41/44/38/693414438.db2.gz ISTHRYZZTDSART-CYBMUJFWSA-N 1 0 294.420 1.333 20 10 CDCDRO Cc1ccc(C[NH2+]CCCC(=O)NC2CC2)c(O)c1 ZINC000876934104 694687838 /nfs/dbraw/zinc/68/78/38/694687838.db2.gz BODDVRQMSZRPDL-UHFFFAOYSA-N 1 0 262.353 1.849 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000841655354 693433507 /nfs/dbraw/zinc/43/35/07/693433507.db2.gz RISFWQXKPQTOOK-CQSZACIVSA-N 1 0 290.411 1.694 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886243104 693439929 /nfs/dbraw/zinc/43/99/29/693439929.db2.gz OCVUBZBCBPONOL-QESKQRKVSA-N 1 0 257.717 1.019 20 10 CDCDRO CCN(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786030 693476558 /nfs/dbraw/zinc/47/65/58/693476558.db2.gz SIAXLQLVUKXWBV-ZDUSSCGKSA-N 1 0 264.373 1.414 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841894651 694734364 /nfs/dbraw/zinc/73/43/64/694734364.db2.gz SKKYHECNZURMOZ-LLVKDONJSA-N 1 0 274.286 1.960 20 10 CDCDRO COC(=O)N1CC([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921860869 694745669 /nfs/dbraw/zinc/74/56/69/694745669.db2.gz BILHVTGKDIWTCD-UHFFFAOYSA-N 1 0 276.336 1.552 20 10 CDCDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004219 694788937 /nfs/dbraw/zinc/78/89/37/694788937.db2.gz BVNMJJYRLBPXNA-LBPRGKRZSA-N 1 0 261.369 1.640 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000840833160 694792816 /nfs/dbraw/zinc/79/28/16/694792816.db2.gz LPTOZEOQWXCXIE-IUODEOHRSA-N 1 0 275.396 1.929 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000886229679 694807651 /nfs/dbraw/zinc/80/76/51/694807651.db2.gz UMORFLDFYAQKFW-ZIAGYGMSSA-N 1 0 295.379 1.811 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000852860684 694820274 /nfs/dbraw/zinc/82/02/74/694820274.db2.gz UQSZMPJPCGEDQD-HDJSIYSDSA-N 1 0 275.396 1.886 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnsn2)cc1 ZINC000832274073 694645582 /nfs/dbraw/zinc/64/55/82/694645582.db2.gz RTHVXNAHOZICNI-LLVKDONJSA-N 1 0 291.380 1.034 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876652439 694695091 /nfs/dbraw/zinc/69/50/91/694695091.db2.gz OTJAKNIYDCMXQX-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO CO[C@H](C[NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000876995621 694813618 /nfs/dbraw/zinc/81/36/18/694813618.db2.gz IDYXBNGMZONGPG-OAHLLOKOSA-N 1 0 265.353 1.923 20 10 CDCDRO C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841880713 694836353 /nfs/dbraw/zinc/83/63/53/694836353.db2.gz GRNUHUKBJJRGBT-OLZOCXBDSA-N 1 0 290.411 1.817 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000825158707 694856951 /nfs/dbraw/zinc/85/69/51/694856951.db2.gz WWFHQOLAWHEPEF-AWEZNQCLSA-N 1 0 285.771 1.876 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CC[C@H](O)C1)CC2 ZINC000858601054 694879677 /nfs/dbraw/zinc/87/96/77/694879677.db2.gz AWPPLYQJYSUFIW-STQMWFEESA-N 1 0 262.353 1.036 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000858549657 694880743 /nfs/dbraw/zinc/88/07/43/694880743.db2.gz YGOPQKISAWKLLZ-CHWSQXEVSA-N 1 0 264.369 1.418 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCc3nnnn3CC2)c1O ZINC000848918252 694888026 /nfs/dbraw/zinc/88/80/26/694888026.db2.gz UHEAOYIOKGBWNX-ZDUSSCGKSA-N 1 0 287.367 1.436 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000070088083 694889294 /nfs/dbraw/zinc/88/92/94/694889294.db2.gz QDBGOZLOMLYNRI-UHFFFAOYSA-N 1 0 263.385 1.886 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(C(=O)[O-])ccc1O ZINC001604183829 1163119160 /nfs/dbraw/zinc/11/91/60/1163119160.db2.gz FUEQVVXKSCSZKL-WDEREUQCSA-N 1 0 280.368 1.939 20 10 CDCDRO CN1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC000380701212 1160677135 /nfs/dbraw/zinc/67/71/35/1160677135.db2.gz NUFNPHHBXCSIJS-CQSZACIVSA-N 1 0 273.380 1.607 20 10 CDCDRO O=C(NCc1c(O)cccc1F)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001580707634 1172519030 /nfs/dbraw/zinc/51/90/30/1172519030.db2.gz DACAXEPRHWSSFD-RWEMILLDSA-N 1 0 264.300 1.003 20 10 CDCDRO CC(=O)NC1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC000297492921 1184765560 /nfs/dbraw/zinc/76/55/60/1184765560.db2.gz UENUVUVRJQALEY-UHFFFAOYSA-N 1 0 270.332 1.866 20 10 CDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000866441322 723101251 /nfs/dbraw/zinc/10/12/51/723101251.db2.gz ZJJVUMCYTQRXEO-DCAQKATOSA-N 1 0 294.351 1.109 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000126365203 723104094 /nfs/dbraw/zinc/10/40/94/723104094.db2.gz JPERRBXACLJBTN-NSHDSACASA-N 1 0 278.352 1.558 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[NH3+] ZINC000841824465 723170704 /nfs/dbraw/zinc/17/07/04/723170704.db2.gz PPYWECFGLCFPLM-NSHDSACASA-N 1 0 264.373 1.207 20 10 CDCDRO Nc1ccc(CCNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000841923347 723177786 /nfs/dbraw/zinc/17/77/86/723177786.db2.gz DFBQHEUCDCOUDK-CYBMUJFWSA-N 1 0 276.384 1.110 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167943 723196382 /nfs/dbraw/zinc/19/63/82/723196382.db2.gz PHLVZUCJTMLWSQ-GHMZBOCLSA-N 1 0 269.341 1.449 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C)cc1O ZINC000877612265 723202362 /nfs/dbraw/zinc/20/23/62/723202362.db2.gz GJLNJRMFMONXEI-CHWSQXEVSA-N 1 0 251.326 1.282 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000227975284 723343023 /nfs/dbraw/zinc/34/30/23/723343023.db2.gz XQWFJZXDJQXBPW-SWLSCSKDSA-N 1 0 264.369 1.382 20 10 CDCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000831971067 723438955 /nfs/dbraw/zinc/43/89/55/723438955.db2.gz QLHKNKRSWXTALI-LBPRGKRZSA-N 1 0 261.369 1.412 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(O)c1 ZINC000877466775 723382138 /nfs/dbraw/zinc/38/21/38/723382138.db2.gz QKVOJKCHSUIGHR-CORIIIEPSA-N 1 0 274.364 1.786 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000176760287 723383075 /nfs/dbraw/zinc/38/30/75/723383075.db2.gz KEJYSNSJFKSOQU-AWEZNQCLSA-N 1 0 283.393 1.749 20 10 CDCDRO COC(=O)c1ccc(C[NH2+]CCc2ccc(N)cc2)o1 ZINC000841036515 723400055 /nfs/dbraw/zinc/40/00/55/723400055.db2.gz UBVRVEDYXBIHNI-UHFFFAOYSA-N 1 0 274.320 1.981 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c(O)c1 ZINC000877484445 723404206 /nfs/dbraw/zinc/40/42/06/723404206.db2.gz AXLQFPZQINNLAG-CQSZACIVSA-N 1 0 278.396 1.853 20 10 CDCDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841295568 723404265 /nfs/dbraw/zinc/40/42/65/723404265.db2.gz BLIOIMWMZDDLHD-WDEREUQCSA-N 1 0 262.357 1.825 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148317 723480470 /nfs/dbraw/zinc/48/04/70/723480470.db2.gz ZDXLSMNATPUPKP-JTQLQIEISA-N 1 0 287.381 1.486 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](N)CC[NH+](C)C ZINC000846670601 723514493 /nfs/dbraw/zinc/51/44/93/723514493.db2.gz PPCGEQYXKIWQKO-CQSZACIVSA-N 1 0 293.411 1.410 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000778994411 723552130 /nfs/dbraw/zinc/55/21/30/723552130.db2.gz CRXYTIGJPAPDNP-OAHLLOKOSA-N 1 0 276.380 1.689 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000779209549 723586533 /nfs/dbraw/zinc/58/65/33/723586533.db2.gz XRROUHBHVAPVGA-UHFFFAOYSA-N 1 0 287.306 1.993 20 10 CDCDRO COCC[N@H+](Cc1c(C)cccc1O)[C@H](C)C(N)=O ZINC000876695992 723614682 /nfs/dbraw/zinc/61/46/82/723614682.db2.gz NGWZWMBALMOCJQ-LLVKDONJSA-N 1 0 266.341 1.023 20 10 CDCDRO COc1ccc(N(C)C[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000258952060 723649699 /nfs/dbraw/zinc/64/96/99/723649699.db2.gz RLMDJSUISDFZJG-LLVKDONJSA-N 1 0 250.342 1.892 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1C ZINC000873130056 723676395 /nfs/dbraw/zinc/67/63/95/723676395.db2.gz WUUKSZBRMPAAFG-ZIAGYGMSSA-N 1 0 265.353 1.633 20 10 CDCDRO CCNC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785364 723684171 /nfs/dbraw/zinc/68/41/71/723684171.db2.gz LMCNBXHGQXQJBB-LBPRGKRZSA-N 1 0 250.346 1.072 20 10 CDCDRO C[N@H+](CC(=O)NCCc1ccc(O)c(O)c1)C1CCC1 ZINC000863897210 1164492318 /nfs/dbraw/zinc/49/23/18/1164492318.db2.gz ARYYCHQXCZQLAE-UHFFFAOYSA-N 1 0 278.352 1.241 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2COC[C@@H]2OC)ccc1OC ZINC000839193803 723067227 /nfs/dbraw/zinc/06/72/27/723067227.db2.gz VPJYUPWBETXXQP-ZBFHGGJFSA-N 1 0 295.379 1.735 20 10 CDCDRO C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1ccccc1O ZINC000868350515 723076708 /nfs/dbraw/zinc/07/67/08/723076708.db2.gz JYPKZWWSOJFFNL-LLVKDONJSA-N 1 0 277.368 1.847 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c(O)c1 ZINC000841983618 723086061 /nfs/dbraw/zinc/08/60/61/723086061.db2.gz DWFPIXJIZXZDKW-PWSUYJOCSA-N 1 0 293.367 1.341 20 10 CDCDRO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H](C)N1C ZINC000832893775 723148877 /nfs/dbraw/zinc/14/88/77/723148877.db2.gz AWZDHRJIUYYBLL-DTORHVGOSA-N 1 0 254.355 1.618 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000848918033 723245142 /nfs/dbraw/zinc/24/51/42/723245142.db2.gz NHTUKHWPHFIOAN-CQSZACIVSA-N 1 0 279.380 1.926 20 10 CDCDRO COc1cccc(C[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000776497795 723287767 /nfs/dbraw/zinc/28/77/67/723287767.db2.gz YIIAREPDEGLTKF-UHFFFAOYSA-N 1 0 288.351 1.547 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362686 723385789 /nfs/dbraw/zinc/38/57/89/723385789.db2.gz NPFXUSHNUFQARO-ONGXEEELSA-N 1 0 280.343 1.903 20 10 CDCDRO CCN(CC[NH3+])C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861589706 723389189 /nfs/dbraw/zinc/38/91/89/723389189.db2.gz FBYVBVGHJPGRKB-UHFFFAOYSA-N 1 0 288.395 1.553 20 10 CDCDRO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650096 723401215 /nfs/dbraw/zinc/40/12/15/723401215.db2.gz ILXGWRHZBFQIJQ-QWRGUYRKSA-N 1 0 267.325 1.357 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(O)c1 ZINC000841981978 723444524 /nfs/dbraw/zinc/44/45/24/723444524.db2.gz LWPYHWQABTZFCO-RYUDHWBXSA-N 1 0 293.367 1.470 20 10 CDCDRO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1 ZINC000779542070 723623682 /nfs/dbraw/zinc/62/36/82/723623682.db2.gz JDRXFVZUCRQNGT-ALCCZGGFSA-N 1 0 290.363 1.664 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)N1CC[NH2+]CC1 ZINC000841710086 723686962 /nfs/dbraw/zinc/68/69/62/723686962.db2.gz SIPUICYSIZPDAG-UHFFFAOYSA-N 1 0 288.395 1.402 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000876690821 1165895397 /nfs/dbraw/zinc/89/53/97/1165895397.db2.gz SCFKCELLQPYNEB-MRXNPFEDSA-N 1 0 290.407 1.868 20 10 CDCDRO CO[C@H]1C[NH2+][C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000040634793 1165971606 /nfs/dbraw/zinc/97/16/06/1165971606.db2.gz DHEMIKPVBMQVGP-CABCVRRESA-N 1 0 291.395 1.088 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)c1 ZINC000877515981 1166050313 /nfs/dbraw/zinc/05/03/13/1166050313.db2.gz AICAPHZSZHEQCR-ZBFHGGJFSA-N 1 0 290.407 1.996 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000397546045 895181926 /nfs/dbraw/zinc/18/19/26/895181926.db2.gz UDXZILROVBGRRL-UHFFFAOYSA-N 1 0 277.368 1.396 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235075294 914014298 /nfs/dbraw/zinc/01/42/98/914014298.db2.gz LNNCFTRKLGGNAF-VXGBXAGGSA-N 1 0 254.280 1.607 20 10 CDCDRO CN1C(=O)C[C@@]2(CCC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001272619771 914191396 /nfs/dbraw/zinc/19/13/96/914191396.db2.gz ZFKAEXYWGCOAMG-MRXNPFEDSA-N 1 0 288.347 1.363 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c1 ZINC001272623004 914199880 /nfs/dbraw/zinc/19/98/80/914199880.db2.gz UYSNISQTBSTIIH-INIZCTEOSA-N 1 0 274.364 1.897 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992048 914503391 /nfs/dbraw/zinc/50/33/91/914503391.db2.gz PZBUQJRBDMVYHO-SWLSCSKDSA-N 1 0 261.369 1.381 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001236023361 914559232 /nfs/dbraw/zinc/55/92/32/914559232.db2.gz NYFKFSMSSUAKBP-PRHODGIISA-N 1 0 256.708 1.718 20 10 CDCDRO COC1(CO)CC[NH+](Cc2ccccc2O)CC1 ZINC000775203281 921214052 /nfs/dbraw/zinc/21/40/52/921214052.db2.gz DQBAJYFHIXCRDV-UHFFFAOYSA-N 1 0 251.326 1.366 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CN)C2CC2)c1 ZINC000841028349 906858809 /nfs/dbraw/zinc/85/88/09/906858809.db2.gz PAIOYNCOAAZGTH-CYBMUJFWSA-N 1 0 250.342 1.618 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2COCCO2)c1O ZINC000228671599 907429273 /nfs/dbraw/zinc/42/92/73/907429273.db2.gz UMWGRNFBFOYFNA-NSHDSACASA-N 1 0 287.743 1.559 20 10 CDCDRO COc1ccc(C[N@H+](C)C2CCS(=O)(=O)CC2)c(O)c1 ZINC000093476741 908210461 /nfs/dbraw/zinc/21/04/61/908210461.db2.gz SQQCNBMPLLOSSE-UHFFFAOYSA-N 1 0 299.392 1.410 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000842007026 908857704 /nfs/dbraw/zinc/85/77/04/908857704.db2.gz OHNFEZNVKTTYSP-GFCCVEGCSA-N 1 0 291.395 1.808 20 10 CDCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000842224280 909580740 /nfs/dbraw/zinc/58/07/40/909580740.db2.gz BRXZQLNCDVTQRK-AAEUAGOBSA-N 1 0 273.760 1.657 20 10 CDCDRO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000036959690 909929901 /nfs/dbraw/zinc/92/99/01/909929901.db2.gz HMTMSHSYJXZWAS-MNOVXSKESA-N 1 0 280.368 1.966 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000037212797 910618723 /nfs/dbraw/zinc/61/87/23/910618723.db2.gz HWVKLBPGECARNC-CQSZACIVSA-N 1 0 277.412 1.735 20 10 CDCDRO O=C1CC[C@@H]2C[C@@H]([N@H+]3CCc4cccc(O)c4C3)CCN12 ZINC001172181791 911445922 /nfs/dbraw/zinc/44/59/22/911445922.db2.gz HZXBTUBZHGQAAC-UONOGXRCSA-N 1 0 286.375 1.904 20 10 CDCDRO CC(C)OCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172431638 911665135 /nfs/dbraw/zinc/66/51/35/911665135.db2.gz PRKRASCWAQMLTH-XHDPSFHLSA-N 1 0 283.368 1.924 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001172597936 911762232 /nfs/dbraw/zinc/76/22/32/911762232.db2.gz PCHWSNNSUCQSPN-VXGBXAGGSA-N 1 0 279.336 1.919 20 10 CDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2c(O)cccc2Cl)C1 ZINC001206422191 916371933 /nfs/dbraw/zinc/37/19/33/916371933.db2.gz CPIZFODHJOMAKD-DTWKUNHWSA-N 1 0 258.724 1.917 20 10 CDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001206431651 916624724 /nfs/dbraw/zinc/62/47/24/916624724.db2.gz AKWJKLTZYJSSPE-DTWKUNHWSA-N 1 0 274.723 1.622 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000069912455 916958354 /nfs/dbraw/zinc/95/83/54/916958354.db2.gz MJHUKUHQMWYICD-AWEZNQCLSA-N 1 0 251.326 1.109 20 10 CDCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137832984 936417742 /nfs/dbraw/zinc/41/77/42/936417742.db2.gz OQDWQMGFMLFPGA-BONVTDFDSA-N 1 0 295.310 1.153 20 10 CDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCSc1nccs1 ZINC000829528003 936421039 /nfs/dbraw/zinc/42/10/39/936421039.db2.gz JBICZLLWQCTRDE-NXEZZACHSA-N 1 0 285.438 1.740 20 10 CDCDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1c(O)ccc2c1CCCC2 ZINC000830597134 936464551 /nfs/dbraw/zinc/46/45/51/936464551.db2.gz AMARUYIXUPNBRW-LBPRGKRZSA-N 1 0 288.391 1.887 20 10 CDCDRO COc1cc(C[N@H+](C)CC2COC2)cc(O)c1O ZINC001204346493 917964847 /nfs/dbraw/zinc/96/48/47/917964847.db2.gz SBKKZNNEQAKWCY-UHFFFAOYSA-N 1 0 253.298 1.185 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000827119552 936490434 /nfs/dbraw/zinc/49/04/34/936490434.db2.gz NCEAFQQVMLSGCY-ZDUSSCGKSA-N 1 0 292.379 1.307 20 10 CDCDRO CN1CCCc2cc(CN3CC[N@@H+]4CC[C@H]4C3)ccc21 ZINC001138359078 936525977 /nfs/dbraw/zinc/52/59/77/936525977.db2.gz JWUXAVWXDYCFNS-INIZCTEOSA-N 1 0 271.408 1.959 20 10 CDCDRO COc1cccc(CNC(=O)C[N@H+](C)CC(C)(C)C)c1O ZINC000821065120 918840494 /nfs/dbraw/zinc/84/04/94/918840494.db2.gz LKILPLYJSCDCIX-UHFFFAOYSA-N 1 0 294.395 1.995 20 10 CDCDRO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+](C)Cc1ccccc1O ZINC001138470324 936539888 /nfs/dbraw/zinc/53/98/88/936539888.db2.gz XQKPTNNWWFSVDP-UHFFFAOYSA-N 1 0 275.308 1.534 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1F ZINC000827900696 936613158 /nfs/dbraw/zinc/61/31/58/936613158.db2.gz GVKIYEVLORCRNA-AWEZNQCLSA-N 1 0 279.359 1.635 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1OC ZINC001140461360 936712468 /nfs/dbraw/zinc/71/24/68/936712468.db2.gz JHCOOGQJNGZNNH-BETUJISGSA-N 1 0 271.744 1.891 20 10 CDCDRO O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662222 936736555 /nfs/dbraw/zinc/73/65/55/936736555.db2.gz JULKTXCPNONPJT-OAHLLOKOSA-N 1 0 294.370 1.619 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC001140742382 936748130 /nfs/dbraw/zinc/74/81/30/936748130.db2.gz MGFNHSMIKPUYAK-NSHDSACASA-N 1 0 264.325 1.104 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC001140742525 936748582 /nfs/dbraw/zinc/74/85/82/936748582.db2.gz RAUWUKPPRRORPI-LLVKDONJSA-N 1 0 287.306 1.856 20 10 CDCDRO Cn1cncc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700922122 922302332 /nfs/dbraw/zinc/30/23/32/922302332.db2.gz BFZPGWHVANFJKW-UHFFFAOYSA-N 1 0 256.353 1.832 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1O ZINC001140744535 936748821 /nfs/dbraw/zinc/74/88/21/936748821.db2.gz AZGIAPBXHRZHNK-MRXNPFEDSA-N 1 0 290.363 1.508 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747706 936749589 /nfs/dbraw/zinc/74/95/89/936749589.db2.gz JFUYJTTVYZIBGN-LBPRGKRZSA-N 1 0 264.325 1.117 20 10 CDCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140751437 936750164 /nfs/dbraw/zinc/75/01/64/936750164.db2.gz WMXCFYMIAZZWPF-OSMZGAPFSA-N 1 0 291.347 1.932 20 10 CDCDRO CN(C)c1ccc(CN2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC001140922007 936776458 /nfs/dbraw/zinc/77/64/58/936776458.db2.gz ZOWGKTNZMCSEDA-ZDUSSCGKSA-N 1 0 281.787 1.856 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001140948153 936782412 /nfs/dbraw/zinc/78/24/12/936782412.db2.gz VWJLQJGIDZBZAP-CABCVRRESA-N 1 0 265.353 1.266 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(O)c1 ZINC001140950865 936783416 /nfs/dbraw/zinc/78/34/16/936783416.db2.gz LXGVFANQYHJUHC-AAEUAGOBSA-N 1 0 260.337 1.269 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cc(OC)cc1OC ZINC001141032980 936795642 /nfs/dbraw/zinc/79/56/42/936795642.db2.gz VWWWONVUAGLVOF-RYUDHWBXSA-N 1 0 292.379 1.688 20 10 CDCDRO COc1cc(O)c(CN2CC([NH+](C)C)C2)c(OC)c1 ZINC001141031988 936796007 /nfs/dbraw/zinc/79/60/07/936796007.db2.gz PONVHZFYFLAEGY-UHFFFAOYSA-N 1 0 266.341 1.155 20 10 CDCDRO COC(=O)[C@@]1(C)CCCN1Cc1cc(O)ccc1O ZINC001141156055 936821195 /nfs/dbraw/zinc/82/11/95/936821195.db2.gz DPTWMRASUORFNJ-CQSZACIVSA-N 1 0 265.309 1.625 20 10 CDCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(O)cc2O)C1 ZINC001205807310 925165384 /nfs/dbraw/zinc/16/53/84/925165384.db2.gz ZQEQQMVEPUBYQH-PWSUYJOCSA-N 1 0 250.342 1.657 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841653866 937010357 /nfs/dbraw/zinc/01/03/57/937010357.db2.gz KJUHMQBVJOXHLI-GXTWGEPZSA-N 1 0 290.411 1.631 20 10 CDCDRO COc1cccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c1O ZINC000841924301 937023322 /nfs/dbraw/zinc/02/33/22/937023322.db2.gz WQQRDNOKYQPURL-LLVKDONJSA-N 1 0 293.367 1.200 20 10 CDCDRO C[C@@H]1CC2(CN1C(=O)Cc1ccc(N)cc1)CC[NH2+]CC2 ZINC000842514620 937059614 /nfs/dbraw/zinc/05/96/14/937059614.db2.gz GEHWQSKTABDIHW-CYBMUJFWSA-N 1 0 287.407 1.802 20 10 CDCDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC(=O)c1ccc(O)c(O)c1)C2 ZINC001169108041 927756937 /nfs/dbraw/zinc/75/69/37/927756937.db2.gz NDNBJSRZAANSGD-CLLJXQQHSA-N 1 0 290.363 1.495 20 10 CDCDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001169586673 928239242 /nfs/dbraw/zinc/23/92/42/928239242.db2.gz JEFGAGVKFNOOQG-GFCCVEGCSA-N 1 0 264.325 1.198 20 10 CDCDRO C[C@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+](C)C ZINC000855415442 928410956 /nfs/dbraw/zinc/41/09/56/928410956.db2.gz ICMLLSPWIKIZRL-OKPNEXGHSA-N 1 0 278.352 1.567 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)S(C)(=O)=O ZINC000697579507 937284261 /nfs/dbraw/zinc/28/42/61/937284261.db2.gz LGJOCBUFXTYRRL-NSHDSACASA-N 1 0 270.398 1.275 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@](C)(O)COC)c1O ZINC000691522470 929146558 /nfs/dbraw/zinc/14/65/58/929146558.db2.gz LRNDCCGJGWJFMI-AWEZNQCLSA-N 1 0 253.342 1.442 20 10 CDCDRO C[C@@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000863483429 929557678 /nfs/dbraw/zinc/55/76/78/929557678.db2.gz AUOKKLFXVZVAAS-ZBFHGGJFSA-N 1 0 289.423 1.753 20 10 CDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1c(F)ccc(O)c1O ZINC000817770487 930601497 /nfs/dbraw/zinc/60/14/97/930601497.db2.gz UMQLSARKXWLLBK-VIFPVBQESA-N 1 0 282.315 1.403 20 10 CDCDRO C[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972597 930655947 /nfs/dbraw/zinc/65/59/47/930655947.db2.gz YFJFCZNAZIUBEI-VXGBXAGGSA-N 1 0 281.375 1.660 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1cc(Cl)ccc1O ZINC000817982051 930658833 /nfs/dbraw/zinc/65/88/33/930658833.db2.gz BFZTVXBQWXZLJL-MWLCHTKSSA-N 1 0 270.760 1.685 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1C ZINC000824559562 931459962 /nfs/dbraw/zinc/45/99/62/931459962.db2.gz VMCNKARQZUXDOM-MRXNPFEDSA-N 1 0 292.423 1.940 20 10 CDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1ccc(N)cc1 ZINC000844164422 931551607 /nfs/dbraw/zinc/55/16/07/931551607.db2.gz HTVRIAZBQIQVDD-CHWSQXEVSA-N 1 0 275.396 1.800 20 10 CDCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504606 931865353 /nfs/dbraw/zinc/86/53/53/931865353.db2.gz WZHPPTXWGFASNH-VHSXEESVSA-N 1 0 266.341 1.328 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001118555757 937639869 /nfs/dbraw/zinc/63/98/69/937639869.db2.gz NVJAZIZFDAZPAG-JTQLQIEISA-N 1 0 266.366 1.764 20 10 CDCDRO CCn1cc(CN(C)Cc2ccc(N(C)C)cc2)nn1 ZINC000929226309 933216746 /nfs/dbraw/zinc/21/67/46/933216746.db2.gz QCLQNNOLZUMRFK-UHFFFAOYSA-N 1 0 273.384 1.996 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)C[NH2+]C(C)(C)C)c1 ZINC001118948089 937681200 /nfs/dbraw/zinc/68/12/00/937681200.db2.gz XGLOCSXDLOGBML-UHFFFAOYSA-N 1 0 250.342 1.705 20 10 CDCDRO O[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1F ZINC001138496002 934463549 /nfs/dbraw/zinc/46/35/49/934463549.db2.gz MHDQEUWJJBAPDU-JKSUJKDBSA-N 1 0 294.370 1.428 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2COCCO2)cc1C ZINC000037998248 934843401 /nfs/dbraw/zinc/84/34/01/934843401.db2.gz ZOEYCTNLLNVENG-CYBMUJFWSA-N 1 0 251.326 1.509 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC001120543111 937808264 /nfs/dbraw/zinc/80/82/64/937808264.db2.gz VSPCLSSPULYZEC-HNNXBMFYSA-N 1 0 290.411 1.976 20 10 CDCDRO COCCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001122409968 937930189 /nfs/dbraw/zinc/93/01/89/937930189.db2.gz ZIBACHQKJPIJEH-UHFFFAOYSA-N 1 0 280.368 1.246 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278254977 945215757 /nfs/dbraw/zinc/21/57/57/945215757.db2.gz KUVMGZXYOLFYTH-LBPRGKRZSA-N 1 0 278.327 1.441 20 10 CDCDRO CCN1CCO[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]2C1 ZINC001203552682 939692486 /nfs/dbraw/zinc/69/24/86/939692486.db2.gz QELDJONDNSAMJX-GOEBONIOSA-N 1 0 276.380 1.545 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC001203634585 939698991 /nfs/dbraw/zinc/69/89/91/939698991.db2.gz MTPSRPREJJVRGQ-CQSZACIVSA-N 1 0 292.379 1.844 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C2CCS(=O)(=O)CC2)cc1 ZINC001203936558 939715316 /nfs/dbraw/zinc/71/53/16/939715316.db2.gz GJLVJSCNXREFHD-UHFFFAOYSA-N 1 0 296.436 1.762 20 10 CDCDRO Oc1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001204282205 939752135 /nfs/dbraw/zinc/75/21/35/939752135.db2.gz OGJCKFKHALJRFE-ZDUSSCGKSA-N 1 0 287.319 1.541 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](CO)C2)cc(O)c1O ZINC001204340176 939756358 /nfs/dbraw/zinc/75/63/58/939756358.db2.gz GNGARIZSHFOERB-JTQLQIEISA-N 1 0 267.325 1.311 20 10 CDCDRO [NH3+]CC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001205053596 939817750 /nfs/dbraw/zinc/81/77/50/939817750.db2.gz QFFBIKFZJYVWRH-UHFFFAOYSA-N 1 0 256.296 1.841 20 10 CDCDRO COc1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206405800 940033214 /nfs/dbraw/zinc/03/32/14/940033214.db2.gz SPIBYOZHFRHRCZ-QWRGUYRKSA-N 1 0 254.305 1.272 20 10 CDCDRO FC1(F)CNC[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218276060 941050141 /nfs/dbraw/zinc/05/01/41/941050141.db2.gz ABAODNKLJNAUQB-CQSZACIVSA-N 1 0 297.349 1.472 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC001219981098 941401728 /nfs/dbraw/zinc/40/17/28/941401728.db2.gz WYWNKZJAUGSTRW-AWEZNQCLSA-N 1 0 275.396 1.659 20 10 CDCDRO [NH3+]CC1(F)CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001222542838 941611562 /nfs/dbraw/zinc/61/15/62/941611562.db2.gz KXTVLPHRLUPWCD-UHFFFAOYSA-N 1 0 282.315 1.353 20 10 CDCDRO CN(C)c1ccc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)cc1 ZINC001227939320 942246108 /nfs/dbraw/zinc/24/61/08/942246108.db2.gz SCAASTAONDRNTD-APHBMKBZSA-N 1 0 274.364 1.936 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c(O)c1 ZINC001277458317 942629861 /nfs/dbraw/zinc/62/98/61/942629861.db2.gz WEFPIERKNMOUAF-MLGOLLRUSA-N 1 0 290.363 1.311 20 10 CDCDRO COc1cc(C[NH+]2CCC(O)CC2)c(O)cc1O ZINC001231633306 942949132 /nfs/dbraw/zinc/94/91/32/942949132.db2.gz UBPBCRZAWUQEBC-UHFFFAOYSA-N 1 0 253.298 1.063 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(OC)c(O)cc2O)CC1 ZINC001231634381 942950184 /nfs/dbraw/zinc/95/01/84/942950184.db2.gz LKXZWQDTPVWYPP-UHFFFAOYSA-N 1 0 294.351 1.064 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231635035 942951917 /nfs/dbraw/zinc/95/19/17/942951917.db2.gz UJFIQBODLACITK-JTQLQIEISA-N 1 0 267.325 1.575 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C2)SCC[C@H]3C(N)=O)c(O)c1 ZINC001277567982 943020337 /nfs/dbraw/zinc/02/03/37/943020337.db2.gz JLQDHXKKBRBCMC-LBPRGKRZSA-N 1 0 292.404 1.493 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001231847780 943029417 /nfs/dbraw/zinc/02/94/17/943029417.db2.gz CWKUNGKVMNNKJQ-IUODEOHRSA-N 1 0 278.396 1.964 20 10 CDCDRO NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001277657958 943249610 /nfs/dbraw/zinc/24/96/10/943249610.db2.gz VIFLKJTXTUFAPP-CJNGLKHVSA-N 1 0 290.363 1.575 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC001232839590 943416158 /nfs/dbraw/zinc/41/61/58/943416158.db2.gz RDIDVQRWDORWOB-UHFFFAOYSA-N 1 0 289.423 1.986 20 10 CDCDRO CC1(C)C[N@H+](Cc2cc(O)c(O)c(O)c2)[C@](C)(CO)C1 ZINC001233010104 943460491 /nfs/dbraw/zinc/46/04/91/943460491.db2.gz LARKUMJVTOHZAR-HNNXBMFYSA-N 1 0 281.352 1.786 20 10 CDCDRO CC[N@H+](C)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233486984 943595032 /nfs/dbraw/zinc/59/50/32/943595032.db2.gz KMRDBQOZPLOYKE-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001236172670 944422581 /nfs/dbraw/zinc/42/25/81/944422581.db2.gz JIDNXERVGCWTSR-SECBINFHSA-N 1 0 276.258 1.824 20 10 CDCDRO Oc1ccc(C(F)(F)F)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236295170 944453535 /nfs/dbraw/zinc/45/35/35/944453535.db2.gz PSVIOJQQEJEBFD-KOLCDFICSA-N 1 0 272.270 1.815 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001236788080 944568013 /nfs/dbraw/zinc/56/80/13/944568013.db2.gz YIJQOXRFUALHNG-MRXNPFEDSA-N 1 0 277.364 1.946 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)c1 ZINC001236786518 944568858 /nfs/dbraw/zinc/56/88/58/944568858.db2.gz CLGAXGYOFVTYRG-AWEZNQCLSA-N 1 0 262.353 1.665 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001236814347 944579063 /nfs/dbraw/zinc/57/90/63/944579063.db2.gz QRDKSBNKLBXGCF-ZDUSSCGKSA-N 1 0 278.352 1.549 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC(N(C)[C@H]2CCOC2)C1 ZINC001237487686 944814321 /nfs/dbraw/zinc/81/43/21/944814321.db2.gz KSRMEAMOTIKUTH-ZDUSSCGKSA-N 1 0 276.380 1.606 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001237496411 944815922 /nfs/dbraw/zinc/81/59/22/944815922.db2.gz YLUNUOBHWWTZHN-ZDUSSCGKSA-N 1 0 274.364 1.897 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1Cc2ccnn2CC[C@H]1CO ZINC001237496554 944817868 /nfs/dbraw/zinc/81/78/68/944817868.db2.gz ZDOLMJGHZIRGPU-AWEZNQCLSA-N 1 0 287.363 1.664 20 10 CDCDRO COc1cc(CN2CC[NH+](C)CC2)c(O)c(OC)c1 ZINC001237674773 944921544 /nfs/dbraw/zinc/92/15/44/944921544.db2.gz MVMCDQAYFWQIAR-UHFFFAOYSA-N 1 0 266.341 1.157 20 10 CDCDRO COC[C@H]1CC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237683860 944923656 /nfs/dbraw/zinc/92/36/56/944923656.db2.gz LKLPKCCTOIUAPR-LLVKDONJSA-N 1 0 267.325 1.630 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC001237681719 944923528 /nfs/dbraw/zinc/92/35/28/944923528.db2.gz PYWUZLXBVQRGDR-CMPLNLGQSA-N 1 0 271.744 1.139 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC001238060641 945044477 /nfs/dbraw/zinc/04/44/77/945044477.db2.gz CZPZBPUDSXCEKT-SECBINFHSA-N 1 0 252.289 1.147 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238060305 945046045 /nfs/dbraw/zinc/04/60/45/945046045.db2.gz HGKYRQLOJPEVRB-SNVBAGLBSA-N 1 0 267.300 1.835 20 10 CDCDRO [NH3+]Cc1cncc(-c2ccn(Cc3ccncc3)c(=O)c2)c1 ZINC001239807253 945595059 /nfs/dbraw/zinc/59/50/59/945595059.db2.gz VKLMNEBOSBAWHG-UHFFFAOYSA-N 1 0 292.342 1.812 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCCOC2)cc1O ZINC001254364593 947387259 /nfs/dbraw/zinc/38/72/59/947387259.db2.gz WINSGLFXTGPPFM-SNVBAGLBSA-N 1 0 253.298 1.115 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@H]2CC3CCN(CC3)C2)cc1O ZINC001254839566 947616986 /nfs/dbraw/zinc/61/69/86/947616986.db2.gz SQWSBYKHWRQBSL-ZDUSSCGKSA-N 1 0 292.379 1.420 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1 ZINC001246201569 948025359 /nfs/dbraw/zinc/02/53/59/948025359.db2.gz VNUGAPHEWWMGFA-KGLIPLIRSA-N 1 0 290.363 1.005 20 10 CDCDRO C[C@H]1CC[C@@H](NCCc2cc(O)c(O)cc2O)C[NH2+]1 ZINC001246210160 948029463 /nfs/dbraw/zinc/02/94/63/948029463.db2.gz CGDGRAIUQBQSHP-GXSJLCMTSA-N 1 0 266.341 1.076 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)CN1 ZINC001246343699 948120744 /nfs/dbraw/zinc/12/07/44/948120744.db2.gz OAHQCSOVSIUHBJ-OCCSQVGLSA-N 1 0 292.379 1.392 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001256015441 948158549 /nfs/dbraw/zinc/15/85/49/948158549.db2.gz ZLKQYECPUVMMPI-LBPRGKRZSA-N 1 0 294.351 1.461 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC001249171790 949436888 /nfs/dbraw/zinc/43/68/88/949436888.db2.gz FUZDVWMOLMHNBW-AWEZNQCLSA-N 1 0 293.363 1.455 20 10 CDCDRO COCC[N@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001249173714 949440618 /nfs/dbraw/zinc/44/06/18/949440618.db2.gz VPFIPGGXKMPMNI-UHFFFAOYSA-N 1 0 267.325 1.186 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@H](F)[C@@H](OC)C2)c(O)c1 ZINC001249172613 949443480 /nfs/dbraw/zinc/44/34/80/949443480.db2.gz OQMGFMKQCCFNPJ-JSGCOSHPSA-N 1 0 297.326 1.276 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)C2(C)COC2)c(O)c1 ZINC001249208227 949460572 /nfs/dbraw/zinc/46/05/72/949460572.db2.gz QKTCGMAGJGTLEW-UHFFFAOYSA-N 1 0 279.336 1.328 20 10 CDCDRO C[C@H](O)CC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001328655507 955397576 /nfs/dbraw/zinc/39/75/76/955397576.db2.gz MOTPEIRKIAWHRA-ZDUSSCGKSA-N 1 0 295.402 1.438 20 10 CDCDRO CC(C)(C)[NH2+]CC(=O)NCCc1ccc(O)c(O)c1 ZINC001319661441 958675834 /nfs/dbraw/zinc/67/58/34/958675834.db2.gz DEDMXWOZTLPIOG-UHFFFAOYSA-N 1 0 266.341 1.145 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCNC1=O ZINC001319727769 958700319 /nfs/dbraw/zinc/70/03/19/958700319.db2.gz BGMROFHQIUNUFQ-OAHLLOKOSA-N 1 0 273.380 1.607 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c(O)c1OC ZINC001334167134 958897639 /nfs/dbraw/zinc/89/76/39/958897639.db2.gz CFABEXFEULUAAS-LBPRGKRZSA-N 1 0 292.379 1.736 20 10 CDCDRO Nc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC001334755111 959331652 /nfs/dbraw/zinc/33/16/52/959331652.db2.gz WBQPMMVBDABVCT-UHFFFAOYSA-N 1 0 261.325 1.343 20 10 CDCDRO COc1ccc(C[NH2+]CCCn2cncn2)c(O)c1OC ZINC001334949591 959483576 /nfs/dbraw/zinc/48/35/76/959483576.db2.gz CQGWHUIUPQCWEF-UHFFFAOYSA-N 1 0 292.339 1.181 20 10 CDCDRO CC1(NC(=O)NCc2ccc(N)cc2)CC[NH2+]CC1 ZINC001335727110 959993252 /nfs/dbraw/zinc/99/32/52/959993252.db2.gz ZGDVFSLTQOUIAB-UHFFFAOYSA-N 1 0 262.357 1.210 20 10 CDCDRO CC[NH+](CC)CCNC(=O)NCc1ccc(N)cc1 ZINC001336225758 960262183 /nfs/dbraw/zinc/26/21/83/960262183.db2.gz QBVCCVKSCQWECK-UHFFFAOYSA-N 1 0 264.373 1.410 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001337536500 961262132 /nfs/dbraw/zinc/26/21/32/961262132.db2.gz UXYVKLLYXCBENZ-CFNZNRNTSA-N 1 0 290.363 1.712 20 10 CDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N)cc1 ZINC001345160172 964610080 /nfs/dbraw/zinc/61/00/80/964610080.db2.gz SSJDLUDXNXELSK-BNOWGMLFSA-N 1 0 259.353 1.355 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070576704 356900600 /nfs/dbraw/zinc/90/06/00/356900600.db2.gz CVSRTVLGTLYWNJ-WCQYABFASA-N 1 0 262.353 1.868 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000179587163 357214485 /nfs/dbraw/zinc/21/44/85/357214485.db2.gz ZITZRDPUQJQMFL-ZDUSSCGKSA-N 1 0 272.352 1.896 20 10 CDCDRO CC[C@H]1C(=O)NCCN1Cc1cc(F)ccc1O ZINC000180068365 357240993 /nfs/dbraw/zinc/24/09/93/357240993.db2.gz RJOXGNHCYIDKGZ-NSHDSACASA-N 1 0 252.289 1.242 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364154437 357914549 /nfs/dbraw/zinc/91/45/49/357914549.db2.gz DLHSHADBUNURHH-IUODEOHRSA-N 1 0 260.337 1.350 20 10 CDCDRO COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(F)ccc1O ZINC000188787842 357937283 /nfs/dbraw/zinc/93/72/83/357937283.db2.gz YPGUNYQQPGBQBA-OLZOCXBDSA-N 1 0 283.299 1.030 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000189563254 358026337 /nfs/dbraw/zinc/02/63/37/358026337.db2.gz PIZRJKKKZUQRHE-SNVBAGLBSA-N 1 0 264.325 1.122 20 10 CDCDRO C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)[NH3+] ZINC000192104486 358175833 /nfs/dbraw/zinc/17/58/33/358175833.db2.gz QVRAKNGTBIMOJF-ZJUUUORDSA-N 1 0 267.348 1.491 20 10 CDCDRO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(O)c1O ZINC000192466434 358205363 /nfs/dbraw/zinc/20/53/63/358205363.db2.gz DFCRGWMXJHMRJW-PHIMTYICSA-N 1 0 276.336 1.040 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)cc1C ZINC000284250547 368508066 /nfs/dbraw/zinc/50/80/66/368508066.db2.gz FPLDKKFJOUEBHX-CABCVRRESA-N 1 0 292.423 1.896 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(F)F)c1 ZINC000271858537 371081751 /nfs/dbraw/zinc/08/17/51/371081751.db2.gz SYFJMPXFEDCJJO-MRVPVSSYSA-N 1 0 288.294 1.433 20 10 CDCDRO [NH3+]CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000294910551 371104853 /nfs/dbraw/zinc/10/48/53/371104853.db2.gz CDINAHCDAZHCDZ-CYBMUJFWSA-N 1 0 278.352 1.249 20 10 CDCDRO COC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)OC ZINC000296604394 371442146 /nfs/dbraw/zinc/44/21/46/371442146.db2.gz XXZRNLOOFOXEQG-VXGBXAGGSA-N 1 0 251.326 1.631 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292811569 377552448 /nfs/dbraw/zinc/55/24/48/377552448.db2.gz OWHAJQTVSLSWGT-CYBMUJFWSA-N 1 0 298.408 1.166 20 10 CDCDRO COc1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1C ZINC000289787571 378344234 /nfs/dbraw/zinc/34/42/34/378344234.db2.gz JYKKKQKVIDMAEA-UHFFFAOYSA-N 1 0 290.367 1.267 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2C(=O)CNC2=O)c(O)c1 ZINC000294122347 378615701 /nfs/dbraw/zinc/61/57/01/378615701.db2.gz KVSDQCKTFVRRNT-LLVKDONJSA-N 1 0 291.351 1.211 20 10 CDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000295016994 378657267 /nfs/dbraw/zinc/65/72/67/378657267.db2.gz UCCLLRPUDNKHIK-INIZCTEOSA-N 1 0 290.407 1.868 20 10 CDCDRO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000106426903 390544858 /nfs/dbraw/zinc/54/48/58/390544858.db2.gz ZQKQUVIYJKLYOT-OAHLLOKOSA-N 1 0 277.412 1.955 20 10 CDCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)cn1 ZINC000374247944 391156428 /nfs/dbraw/zinc/15/64/28/391156428.db2.gz SNBHNEYKJFKWTM-HNNXBMFYSA-N 1 0 298.390 1.724 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000124707654 391224644 /nfs/dbraw/zinc/22/46/44/391224644.db2.gz WCOSEHAETWQQDE-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000181564145 391224607 /nfs/dbraw/zinc/22/46/07/391224607.db2.gz WZEFGAWLCPBAGY-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c(O)c1 ZINC000271191655 391290399 /nfs/dbraw/zinc/29/03/99/391290399.db2.gz LVHLXDONSDBGKO-CQSZACIVSA-N 1 0 292.379 1.844 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000289832972 391619409 /nfs/dbraw/zinc/61/94/09/391619409.db2.gz OLFSIHHUZINUTN-JSGCOSHPSA-N 1 0 268.332 1.395 20 10 CDCDRO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372647682 391860725 /nfs/dbraw/zinc/86/07/25/391860725.db2.gz IHJVMTBPBLBNAK-HOCLYGCPSA-N 1 0 294.370 1.428 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000038060939 174072760 /nfs/dbraw/zinc/07/27/60/174072760.db2.gz NUBZLKHHZJRSJY-IUODEOHRSA-N 1 0 264.369 1.819 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000038082858 174092124 /nfs/dbraw/zinc/09/21/24/174092124.db2.gz QADMBKSMOCYTPS-WCQYABFASA-N 1 0 283.393 1.868 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH+](CC)CC2)c1 ZINC000157433507 261145711 /nfs/dbraw/zinc/14/57/11/261145711.db2.gz OVHLPFWOSAXDPA-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000161979020 261264876 /nfs/dbraw/zinc/26/48/76/261264876.db2.gz WNCWNKZIJBORNL-AWEZNQCLSA-N 1 0 261.369 1.592 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1 ZINC000171767112 261481445 /nfs/dbraw/zinc/48/14/45/261481445.db2.gz ZGXDHZCDTHKXHK-UHFFFAOYSA-N 1 0 291.439 1.953 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1O ZINC000184670822 262291579 /nfs/dbraw/zinc/29/15/79/262291579.db2.gz RALDYBXRPKORPV-QMMMGPOBSA-N 1 0 284.743 1.361 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000185364236 327839034 /nfs/dbraw/zinc/83/90/34/327839034.db2.gz MHWWTYPFBQYYNT-QWHCGFSZSA-N 1 0 295.402 1.818 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000219923321 333159342 /nfs/dbraw/zinc/15/93/42/333159342.db2.gz PYVVNMCYZYWACT-MWLCHTKSSA-N 1 0 265.309 1.778 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000272930048 334758447 /nfs/dbraw/zinc/75/84/47/334758447.db2.gz ZJUJCYZZLKMJMG-NWDGAFQWSA-N 1 0 298.408 1.467 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)c1O ZINC000848919552 1160345067 /nfs/dbraw/zinc/34/50/67/1160345067.db2.gz NBIWYNHPOWGXOS-ZIAGYGMSSA-N 1 0 265.353 1.536 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000323076465 1160711535 /nfs/dbraw/zinc/71/15/35/1160711535.db2.gz XUJGZYQZDYNCPR-NEPJUHHUSA-N 1 0 263.385 1.928 20 10 CDCDRO CCCNC(=O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617116 519880652 /nfs/dbraw/zinc/88/06/52/519880652.db2.gz KUQHDSIDGYZWQH-SECBINFHSA-N 1 0 254.305 1.708 20 10 CDCDRO CCOCC[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000127417585 519921181 /nfs/dbraw/zinc/92/11/81/519921181.db2.gz WOIHDVNEWSZOIM-UHFFFAOYSA-N 1 0 291.439 1.907 20 10 CDCDRO CCOCC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000277820494 520062583 /nfs/dbraw/zinc/06/25/83/520062583.db2.gz VOAAHRLDJZSJGP-CYBMUJFWSA-N 1 0 253.342 1.612 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)CCC(N)=O)c(O)c1 ZINC000289596576 520344892 /nfs/dbraw/zinc/34/48/92/520344892.db2.gz KPTSMEJZDYPVMF-UHFFFAOYSA-N 1 0 266.341 1.488 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2O)[C@@H]1OC ZINC000274847450 520430777 /nfs/dbraw/zinc/43/07/77/520430777.db2.gz AIXZQKBFTZGVBO-GUTXKFCHSA-N 1 0 265.353 1.983 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000278245131 521871120 /nfs/dbraw/zinc/87/11/20/521871120.db2.gz OOVGMOQJANGFHY-SECBINFHSA-N 1 0 282.296 1.123 20 10 CDCDRO CNC(=O)CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084867059 524067562 /nfs/dbraw/zinc/06/75/62/524067562.db2.gz NFFDEQLMMKFYJI-UHFFFAOYSA-N 1 0 295.358 1.092 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1O ZINC000093899534 524080605 /nfs/dbraw/zinc/08/06/05/524080605.db2.gz PXOZMAMVSANRDL-NSHDSACASA-N 1 0 250.342 1.515 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000364972804 524745377 /nfs/dbraw/zinc/74/53/77/524745377.db2.gz LMVKYLSWDGQPGL-VZJVUDMVSA-N 1 0 290.363 1.487 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000289803341 525346662 /nfs/dbraw/zinc/34/66/62/525346662.db2.gz SMZBJAYMUGCREN-HOCLYGCPSA-N 1 0 290.407 1.996 20 10 CDCDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000237705579 526258548 /nfs/dbraw/zinc/25/85/48/526258548.db2.gz MVFRIFABZNSRMP-CYBMUJFWSA-N 1 0 284.363 1.662 20 10 CDCDRO NC(=O)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000157068293 527007341 /nfs/dbraw/zinc/00/73/41/527007341.db2.gz BWEMDRHTWNYTQM-QMMMGPOBSA-N 1 0 299.168 1.462 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000037023768 527478027 /nfs/dbraw/zinc/47/80/27/527478027.db2.gz OKOZGXCUJNMHTE-LSDHHAIUSA-N 1 0 273.380 1.554 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)C1CC1 ZINC000732668215 575093466 /nfs/dbraw/zinc/09/34/66/575093466.db2.gz DAIURWIGAXUHIP-AWEZNQCLSA-N 1 0 251.326 1.651 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C[C@H](C)O)[C@@H](C)CO)cc1 ZINC000773887974 575843304 /nfs/dbraw/zinc/84/33/04/575843304.db2.gz KLFZFXBEWTVIRM-KBPBESRZSA-N 1 0 280.412 1.706 20 10 CDCDRO Oc1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000765624572 576045951 /nfs/dbraw/zinc/04/59/51/576045951.db2.gz AMNCEUGQJXTFHV-UHFFFAOYSA-N 1 0 284.363 1.941 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c1O ZINC000765797243 576056812 /nfs/dbraw/zinc/05/68/12/576056812.db2.gz RBBWRVFJLFEVNB-QWHCGFSZSA-N 1 0 292.379 1.795 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765797078 576056960 /nfs/dbraw/zinc/05/69/60/576056960.db2.gz PJFNSSOZOYUJNX-UONOGXRCSA-N 1 0 274.364 1.626 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC(C)(C)O1 ZINC000768441526 576283455 /nfs/dbraw/zinc/28/34/55/576283455.db2.gz DBSYLOXVBRPXTE-IINYFYTJSA-N 1 0 293.363 1.817 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C)O1 ZINC000768447272 576284158 /nfs/dbraw/zinc/28/41/58/576284158.db2.gz NXTBZXSBJWEKSM-JVLSTEMRSA-N 1 0 293.363 1.817 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC000769072309 576326890 /nfs/dbraw/zinc/32/68/90/576326890.db2.gz BILPSINYTWDGQL-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC000769192146 576336905 /nfs/dbraw/zinc/33/69/05/576336905.db2.gz ZNLCGGDZVJCVJE-UHFFFAOYSA-N 1 0 289.423 1.707 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769399836 576352316 /nfs/dbraw/zinc/35/23/16/576352316.db2.gz VACZFOFXHPJGRX-MRXNPFEDSA-N 1 0 290.407 1.992 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(CCC(N)=O)CC1 ZINC000769469254 576356829 /nfs/dbraw/zinc/35/68/29/576356829.db2.gz WLBWPOKQZLLVKA-UHFFFAOYSA-N 1 0 292.379 1.878 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@]1(OC)CCOC1 ZINC000763478112 576738543 /nfs/dbraw/zinc/73/85/43/576738543.db2.gz AIEYHWGCGDOYTK-CQSZACIVSA-N 1 0 267.325 1.296 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1C ZINC000745789834 576742625 /nfs/dbraw/zinc/74/26/25/576742625.db2.gz QOLUOUHVCGKPDW-AAEUAGOBSA-N 1 0 277.368 1.674 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000754891008 576921220 /nfs/dbraw/zinc/92/12/20/576921220.db2.gz SAPGQDXDJQMPDK-LBPRGKRZSA-N 1 0 299.392 1.458 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000749127061 576936314 /nfs/dbraw/zinc/93/63/14/576936314.db2.gz UEFACWXXHVHOFF-LLVKDONJSA-N 1 0 295.358 1.016 20 10 CDCDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(F)ccc1O ZINC000756537399 576994268 /nfs/dbraw/zinc/99/42/68/576994268.db2.gz YPZIZDFMQYYFHA-RYUDHWBXSA-N 1 0 282.359 1.903 20 10 CDCDRO COc1ccc(C[NH+]2CCC(C(N)=O)CC2)c(O)c1OC ZINC000891453472 617417659 /nfs/dbraw/zinc/41/76/59/617417659.db2.gz PVPQZOWWWKPOSV-UHFFFAOYSA-N 1 0 294.351 1.107 20 10 CDCDRO C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1O ZINC000892050946 617444024 /nfs/dbraw/zinc/44/40/24/617444024.db2.gz JJYBGULMPUHNDP-JOYOIKCWSA-N 1 0 263.341 1.490 20 10 CDCDRO COc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(O)c1OC ZINC000892058819 617451386 /nfs/dbraw/zinc/45/13/86/617451386.db2.gz JBTDJADQKUGEJH-WCQYABFASA-N 1 0 292.379 1.593 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000892156413 617512411 /nfs/dbraw/zinc/51/24/11/617512411.db2.gz PHEYQSYCEQLLSW-BXKDBHETSA-N 1 0 299.321 1.750 20 10 CDCDRO COc1ccc(CN(C)Cc2cnccn2)c(O)c1OC ZINC000891823659 617615436 /nfs/dbraw/zinc/61/54/36/617615436.db2.gz XSYNWTZDGWXSAU-UHFFFAOYSA-N 1 0 289.335 1.831 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000892791961 617751289 /nfs/dbraw/zinc/75/12/89/617751289.db2.gz BWZHTIDCXNDRIB-BXUZGUMPSA-N 1 0 295.404 1.534 20 10 CDCDRO COc1ccc(C[NH2+]CCC(C)(C)O)c(O)c1OC ZINC000893684787 617837816 /nfs/dbraw/zinc/83/78/16/617837816.db2.gz GIGWTBZOGOMPHU-UHFFFAOYSA-N 1 0 269.341 1.660 20 10 CDCDRO COc1ccc(C[NH2+]CC2(O)CCC2)c(O)c1OC ZINC000892952192 617966150 /nfs/dbraw/zinc/96/61/50/617966150.db2.gz ZIRQXFZUFUXLER-UHFFFAOYSA-N 1 0 267.325 1.414 20 10 CDCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCN(C=O)CC1 ZINC000894045955 618294365 /nfs/dbraw/zinc/29/43/65/618294365.db2.gz KLFQCVNAXRBWEF-UHFFFAOYSA-N 1 0 275.396 1.983 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCO2)c1O ZINC000894146755 618626913 /nfs/dbraw/zinc/62/69/13/618626913.db2.gz VYVVSVSQNDODCP-LBPRGKRZSA-N 1 0 251.326 1.978 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CC=CCC2)c(O)c1OC ZINC000894168673 618648483 /nfs/dbraw/zinc/64/84/83/618648483.db2.gz ZKAROSZKVGNORA-UHFFFAOYSA-N 1 0 292.379 1.761 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000927768741 618652663 /nfs/dbraw/zinc/65/26/63/618652663.db2.gz TZOPCXDPYAZEFC-CQSZACIVSA-N 1 0 261.369 1.758 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCCNC2=O)c1O ZINC000894170623 618652989 /nfs/dbraw/zinc/65/29/89/618652989.db2.gz WWSQSHQCVSDUFL-LBPRGKRZSA-N 1 0 278.352 1.468 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)[C@H]1OC ZINC000894185870 618669157 /nfs/dbraw/zinc/66/91/57/618669157.db2.gz TUPIBZZWXXTTIX-BPLDGKMQSA-N 1 0 281.352 1.683 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841041143 618676972 /nfs/dbraw/zinc/67/69/72/618676972.db2.gz ARNBYKJVIXPVJZ-UHFFFAOYSA-N 1 0 292.383 1.055 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c(O)c1 ZINC000843057008 618690986 /nfs/dbraw/zinc/69/09/86/618690986.db2.gz FBWDFFKWYPWUIZ-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCOC2)c1O ZINC000894229055 618738401 /nfs/dbraw/zinc/73/84/01/618738401.db2.gz FFUPISPTNBNMOJ-LBPRGKRZSA-N 1 0 251.326 1.978 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000894538349 618948962 /nfs/dbraw/zinc/94/89/62/618948962.db2.gz JUJABSXTXCVHCO-ZYHUDNBSSA-N 1 0 251.326 1.664 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2ccc(C)cc2O)C1 ZINC000894542489 618951886 /nfs/dbraw/zinc/95/18/86/618951886.db2.gz JYHZZVKRUPMJFV-UHFFFAOYSA-N 1 0 264.325 1.631 20 10 CDCDRO COCC[C@]1([NH2+]Cc2cc(C)cc(OC)c2O)CCOC1 ZINC000894578860 618964663 /nfs/dbraw/zinc/96/46/63/618964663.db2.gz WDCFEZOAGOYMDN-INIZCTEOSA-N 1 0 295.379 1.994 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2COCO2)c1O ZINC000894879035 619115674 /nfs/dbraw/zinc/11/56/74/619115674.db2.gz OWJHYWWQEDPCEB-SNVBAGLBSA-N 1 0 273.716 1.517 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2COCO2)c1O ZINC000894886163 619122620 /nfs/dbraw/zinc/12/26/20/619122620.db2.gz CISNLLAUNNZHBL-LLVKDONJSA-N 1 0 253.298 1.172 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000895006949 619205392 /nfs/dbraw/zinc/20/53/92/619205392.db2.gz CZPODEXASFLLMP-NSHDSACASA-N 1 0 288.351 1.817 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000895008232 619206113 /nfs/dbraw/zinc/20/61/13/619206113.db2.gz UFZVJGFFCVZUNI-LLVKDONJSA-N 1 0 288.351 1.817 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H]2CC(C)=NO2)cc1OC ZINC000895306802 619533416 /nfs/dbraw/zinc/53/34/16/619533416.db2.gz KEDNJPRLILSKGQ-LLVKDONJSA-N 1 0 280.324 1.664 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1C ZINC000895315560 619545038 /nfs/dbraw/zinc/54/50/38/619545038.db2.gz BNBGRNDXWNCHMT-ZDUSSCGKSA-N 1 0 262.353 1.618 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c(O)c1 ZINC000895329874 619574590 /nfs/dbraw/zinc/57/45/90/619574590.db2.gz KGJHJXTUHJSXBG-WFASDCNBSA-N 1 0 281.352 1.109 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c(O)c1OC ZINC000895519132 619707817 /nfs/dbraw/zinc/70/78/17/619707817.db2.gz XNTRXAHCNVUQED-GFCCVEGCSA-N 1 0 294.351 1.120 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000896383748 620080392 /nfs/dbraw/zinc/08/03/92/620080392.db2.gz DLQQVTJAQATGHY-GFCCVEGCSA-N 1 0 263.337 1.895 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1O ZINC000897684230 621072070 /nfs/dbraw/zinc/07/20/70/621072070.db2.gz LKFJZRRRAGGMSV-IINYFYTJSA-N 1 0 252.333 1.704 20 10 CDCDRO CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000897683772 621072557 /nfs/dbraw/zinc/07/25/57/621072557.db2.gz GSFIXDFUNKRKEH-HZMBPMFUSA-N 1 0 251.326 1.604 20 10 CDCDRO C[C@@H](CC[NH3+])[NH2+]Cc1cccc(Br)c1[O-] ZINC000841051043 621597738 /nfs/dbraw/zinc/59/77/38/621597738.db2.gz MWOVRYPHJNBPIT-QMMMGPOBSA-N 1 0 273.174 1.982 20 10 CDCDRO CC[C@@H]1C(=O)NCCCN1Cc1cc2c(cc1O)OCO2 ZINC000898541448 621786114 /nfs/dbraw/zinc/78/61/14/621786114.db2.gz KUYZXLHJLFFRIG-LLVKDONJSA-N 1 0 292.335 1.221 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C[C@H]([NH3+])CC(F)F ZINC000903906323 626141063 /nfs/dbraw/zinc/14/10/63/626141063.db2.gz VLRMXBNTDPZKHE-SNVBAGLBSA-N 1 0 285.338 1.934 20 10 CDCDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000905052707 626387560 /nfs/dbraw/zinc/38/75/60/626387560.db2.gz ULOJTUJSXZSBOW-UHFFFAOYSA-N 1 0 281.381 1.606 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(O)cc1C ZINC000905695517 626941848 /nfs/dbraw/zinc/94/18/48/626941848.db2.gz HLJUWBMVGDJCLL-LBPRGKRZSA-N 1 0 293.363 1.904 20 10 CDCDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000153660725 631775037 /nfs/dbraw/zinc/77/50/37/631775037.db2.gz GMSUXYSXJZXTDO-CYBMUJFWSA-N 1 0 292.379 1.893 20 10 CDCDRO C[S@](=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921751140 633265419 /nfs/dbraw/zinc/26/54/19/633265419.db2.gz DUNQSLJDFVWKNA-KRWDZBQOSA-N 1 0 253.367 1.480 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1 ZINC000391410547 695252092 /nfs/dbraw/zinc/25/20/92/695252092.db2.gz ZNEQUJGFIWYBAD-UHFFFAOYSA-N 1 0 284.425 1.665 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1O ZINC000840963819 695970307 /nfs/dbraw/zinc/97/03/07/695970307.db2.gz QHYSRKFOWXHTSU-KGLIPLIRSA-N 1 0 265.353 1.578 20 10 CDCDRO C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000038088108 695196770 /nfs/dbraw/zinc/19/67/70/695196770.db2.gz NLPBNADXGPJAED-CQSZACIVSA-N 1 0 277.412 1.563 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)c2c1c(F)ccc2O ZINC000858553497 695272988 /nfs/dbraw/zinc/27/29/88/695272988.db2.gz QYQDHCQDEOQGLF-GMTLJSCSSA-N 1 0 281.327 1.819 20 10 CDCDRO COc1ccc(C[NH2+]CCCn2cncn2)cc1C ZINC000381661255 695323304 /nfs/dbraw/zinc/32/33/04/695323304.db2.gz DVEDZWKAGFAGJU-UHFFFAOYSA-N 1 0 260.341 1.775 20 10 CDCDRO CCN1CCC[N@H+](Cc2c(C)cccc2O)CC1=O ZINC000877465944 695362538 /nfs/dbraw/zinc/36/25/38/695362538.db2.gz CSKGMESLUDHKCP-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000857084363 695372881 /nfs/dbraw/zinc/37/28/81/695372881.db2.gz OKZBVGTVFCMUFD-BXKDBHETSA-N 1 0 266.316 1.803 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000388089430 695389659 /nfs/dbraw/zinc/38/96/59/695389659.db2.gz CRWJOQMZBQSRKT-AMIZOPFISA-N 1 0 267.300 1.547 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000840942481 695394058 /nfs/dbraw/zinc/39/40/58/695394058.db2.gz UMAHFRWLGMITAH-ABAIWWIYSA-N 1 0 275.396 1.675 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCC(=O)NC(C)C)c1O ZINC000846139762 695397404 /nfs/dbraw/zinc/39/74/04/695397404.db2.gz ZCRVERKEVHNGCX-NSHDSACASA-N 1 0 280.368 1.966 20 10 CDCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCNC1=O ZINC000816521059 695413469 /nfs/dbraw/zinc/41/34/69/695413469.db2.gz FLUKFLLAJVAMJC-CQSZACIVSA-N 1 0 270.332 1.866 20 10 CDCDRO COCC(COC)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000824922260 695422472 /nfs/dbraw/zinc/42/24/72/695422472.db2.gz YXUGNQSSFLTPAD-UHFFFAOYSA-N 1 0 285.340 1.160 20 10 CDCDRO COCCCNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000839564217 695457416 /nfs/dbraw/zinc/45/74/16/695457416.db2.gz SICSIKQHIVRCSJ-CYBMUJFWSA-N 1 0 293.411 1.556 20 10 CDCDRO C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775645882 695467757 /nfs/dbraw/zinc/46/77/57/695467757.db2.gz SNFFZKOSLXUFMY-HNNXBMFYSA-N 1 0 289.423 1.659 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000856778433 695477926 /nfs/dbraw/zinc/47/79/26/695477926.db2.gz LUCMVTMQQONQPY-CYBMUJFWSA-N 1 0 291.395 1.342 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2C(=O)CCC2=O)c1 ZINC000182366140 695478797 /nfs/dbraw/zinc/47/87/97/695478797.db2.gz FMRSYNNMVREQHC-SNVBAGLBSA-N 1 0 292.335 1.200 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)OCCF)cc2)CC1 ZINC000882662278 695506984 /nfs/dbraw/zinc/50/69/84/695506984.db2.gz DHSDTLMLUHXLPS-UHFFFAOYSA-N 1 0 295.358 1.634 20 10 CDCDRO C[NH+](C)CCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000778921456 695543279 /nfs/dbraw/zinc/54/32/79/695543279.db2.gz BKAWAFMRQSOITL-UHFFFAOYSA-N 1 0 266.341 1.446 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2([NH3+])CCC2)c1 ZINC000841967572 695544494 /nfs/dbraw/zinc/54/44/94/695544494.db2.gz VGGYKLAMZDMPRP-JTQLQIEISA-N 1 0 293.367 1.642 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNCc3ncc[nH]3)cc2)CC1 ZINC000877672450 695570230 /nfs/dbraw/zinc/57/02/30/695570230.db2.gz FGGLYMDWIMEECL-UHFFFAOYSA-N 1 0 285.395 1.451 20 10 CDCDRO CN(C)c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299922154 695576878 /nfs/dbraw/zinc/57/68/78/695576878.db2.gz RXHRACRQHSTAPJ-GOEBONIOSA-N 1 0 259.397 1.936 20 10 CDCDRO Oc1cccc(Cl)c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846067472 695611651 /nfs/dbraw/zinc/61/16/51/695611651.db2.gz FZCRCPYWWMRZPV-LLVKDONJSA-N 1 0 282.771 1.296 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000843428183 695644633 /nfs/dbraw/zinc/64/46/33/695644633.db2.gz RHDNAVOZONREID-UHFFFAOYSA-N 1 0 267.348 1.460 20 10 CDCDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)C[NH3+] ZINC000841092280 695682341 /nfs/dbraw/zinc/68/23/41/695682341.db2.gz LYKGVXFBOYDMHD-VIFPVBQESA-N 1 0 279.167 1.450 20 10 CDCDRO C[C@@H](CCO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877067222 695741568 /nfs/dbraw/zinc/74/15/68/695741568.db2.gz DLWDGMAZCABBAU-AWEZNQCLSA-N 1 0 292.423 1.756 20 10 CDCDRO CCOc1ccc(O)c(CN2CCC([NH2+]CCO)CC2)c1 ZINC000873217634 695759290 /nfs/dbraw/zinc/75/92/90/695759290.db2.gz MSOIHDPNOCNNEM-UHFFFAOYSA-N 1 0 294.395 1.337 20 10 CDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955933 695765894 /nfs/dbraw/zinc/76/58/94/695765894.db2.gz RSYKSYPEZCAJTK-NWDGAFQWSA-N 1 0 276.384 1.203 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000858585849 695821742 /nfs/dbraw/zinc/82/17/42/695821742.db2.gz BSRZQIHKWSUBOV-NXEZZACHSA-N 1 0 252.314 1.451 20 10 CDCDRO COC(=O)C[C@@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC000876746000 695826077 /nfs/dbraw/zinc/82/60/77/695826077.db2.gz HVLLFZOQUCGXLW-CYBMUJFWSA-N 1 0 279.336 1.465 20 10 CDCDRO COc1cccc(O)c1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000817417471 695826195 /nfs/dbraw/zinc/82/61/95/695826195.db2.gz NNNFUNZGQSYZIV-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO CCc1cccc(C[N@H+](CCOC)CC(=O)N(C)C)c1O ZINC000848880793 695836363 /nfs/dbraw/zinc/83/63/63/695836363.db2.gz BBEREZSLXKHDCJ-UHFFFAOYSA-N 1 0 294.395 1.491 20 10 CDCDRO O=C1CC[C@@H]([NH2+]CCCSc2nccs2)CCN1 ZINC000873054697 695838580 /nfs/dbraw/zinc/83/85/80/695838580.db2.gz TXWRECKCGGJJEC-SNVBAGLBSA-N 1 0 285.438 1.884 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000843489468 695844930 /nfs/dbraw/zinc/84/49/30/695844930.db2.gz PJMJFACWVCDXPA-RQSQLSILSA-N 1 0 276.336 1.328 20 10 CDCDRO CCCN(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785064 695855677 /nfs/dbraw/zinc/85/56/77/695855677.db2.gz LHLXXGJESVSVNI-CQSZACIVSA-N 1 0 278.400 1.804 20 10 CDCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccccc2O)CCOC1 ZINC000123273295 695869419 /nfs/dbraw/zinc/86/94/19/695869419.db2.gz VVBMCXOHQDRXEL-SMDDNHRTSA-N 1 0 251.326 1.848 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000843056797 695869455 /nfs/dbraw/zinc/86/94/55/695869455.db2.gz AFCRYVZFFSENJO-CABZTGNLSA-N 1 0 254.305 1.079 20 10 CDCDRO COc1ccc(N(C)CCN(C)Cc2cnnn2C)cc1 ZINC000844400471 695886605 /nfs/dbraw/zinc/88/66/05/695886605.db2.gz CIBPKNHLEMUGSG-UHFFFAOYSA-N 1 0 289.383 1.392 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000839164909 695942550 /nfs/dbraw/zinc/94/25/50/695942550.db2.gz BVCMKWGZEPXWQJ-ZBFHGGJFSA-N 1 0 278.396 1.318 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C[C@H](O)C2CC2)c1O ZINC000809752942 696008156 /nfs/dbraw/zinc/00/81/56/696008156.db2.gz XVQYSUFJFJSCTL-ZDUSSCGKSA-N 1 0 265.353 1.994 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC2([NH3+])CCC2)cc1 ZINC000094295027 696014433 /nfs/dbraw/zinc/01/44/33/696014433.db2.gz QLCNXQCXGNNFCH-UHFFFAOYSA-N 1 0 261.369 1.640 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000876713831 696042635 /nfs/dbraw/zinc/04/26/35/696042635.db2.gz UJCBKEBFFHXGJF-ZIAGYGMSSA-N 1 0 275.396 1.742 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000827500581 696042880 /nfs/dbraw/zinc/04/28/80/696042880.db2.gz DPFVAIOEVJGQQA-TXEJJXNPSA-N 1 0 280.343 1.933 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000851900171 696069370 /nfs/dbraw/zinc/06/93/70/696069370.db2.gz QLRWOVWOBIGQRP-QWHCGFSZSA-N 1 0 296.411 1.753 20 10 CDCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877049976 696087319 /nfs/dbraw/zinc/08/73/19/696087319.db2.gz WMLSAADOCAYHRS-MFKMUULPSA-N 1 0 255.383 1.903 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c1O ZINC000233821439 696117652 /nfs/dbraw/zinc/11/76/52/696117652.db2.gz NAPPAYBOKKODFH-OKILXGFUSA-N 1 0 281.352 1.637 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC2(C[NH3+])CC2)cc1F ZINC000827901531 696179253 /nfs/dbraw/zinc/17/92/53/696179253.db2.gz PIVYVPINKZKOLW-UHFFFAOYSA-N 1 0 279.359 1.637 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)c2cnc(C[NH3+])nc2)cc1 ZINC000876872313 696198725 /nfs/dbraw/zinc/19/87/25/696198725.db2.gz ASJVXRGNGDRABL-UHFFFAOYSA-N 1 0 299.378 1.274 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846137841 696217604 /nfs/dbraw/zinc/21/76/04/696217604.db2.gz RJMDTIVJGKJNSU-UWVGGRQHSA-N 1 0 266.341 1.576 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(N)nc2)cc1 ZINC000876506643 1165858720 /nfs/dbraw/zinc/85/87/20/1165858720.db2.gz NAVJFINFMNTXPC-AWEZNQCLSA-N 1 0 299.378 1.160 20 10 CDCDRO CC(C)CC[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000876528578 1165863357 /nfs/dbraw/zinc/86/33/57/1165863357.db2.gz ZBHXOUOOMBCCBY-CQSZACIVSA-N 1 0 263.385 1.691 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2COC[C@@H]2O)cc1Cl ZINC000877666806 1166076997 /nfs/dbraw/zinc/07/69/97/1166076997.db2.gz BVBXVPBHUMCWGV-PWSUYJOCSA-N 1 0 257.717 1.203 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000231606082 1178171739 /nfs/dbraw/zinc/17/17/39/1178171739.db2.gz SWUFUXHQFILYSG-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1cccc(C)c1O ZINC000135763221 725297493 /nfs/dbraw/zinc/29/74/93/725297493.db2.gz FXNGPYTUDCKLHF-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182415114 724415556 /nfs/dbraw/zinc/41/55/56/724415556.db2.gz CXADTNNLXNHRFX-NSHDSACASA-N 1 0 280.368 1.920 20 10 CDCDRO CCc1cccc(C[N@@H+](CC)[C@@H]2CCNC2=O)c1O ZINC000848909690 723696275 /nfs/dbraw/zinc/69/62/75/723696275.db2.gz ZQTAWPJAJAPNSH-CYBMUJFWSA-N 1 0 262.353 1.665 20 10 CDCDRO CC[NH2+]Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881271999 723708322 /nfs/dbraw/zinc/70/83/22/723708322.db2.gz IUXFSNKCZNCVNW-UHFFFAOYSA-N 1 0 259.357 1.502 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CNCCO2)c1 ZINC000817983258 723731747 /nfs/dbraw/zinc/73/17/47/723731747.db2.gz LGISCAKTCMCQPL-RYUDHWBXSA-N 1 0 250.342 1.340 20 10 CDCDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941228 723732367 /nfs/dbraw/zinc/73/23/67/723732367.db2.gz GKXGBPYHTUCDQP-OAHLLOKOSA-N 1 0 266.385 1.628 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1O ZINC000227968587 723738215 /nfs/dbraw/zinc/73/82/15/723738215.db2.gz OBDGPBVOEZQIGP-YGRLFVJLSA-N 1 0 267.325 1.030 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1Cl ZINC000825731149 723740963 /nfs/dbraw/zinc/74/09/63/723740963.db2.gz DANCZWAWPZHDBQ-YGRLFVJLSA-N 1 0 285.771 1.984 20 10 CDCDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000394069079 723759152 /nfs/dbraw/zinc/75/91/52/723759152.db2.gz ITBGMXKNMAMCAJ-MRXNPFEDSA-N 1 0 292.423 1.877 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)C(=O)N(C)OC)c1O ZINC000862542602 723759215 /nfs/dbraw/zinc/75/92/15/723759215.db2.gz UVGIAKBHQLLCLO-SNVBAGLBSA-N 1 0 266.341 1.453 20 10 CDCDRO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827726156 723770074 /nfs/dbraw/zinc/77/00/74/723770074.db2.gz SLWJIRBLFBEJQH-QWHCGFSZSA-N 1 0 291.395 1.438 20 10 CDCDRO COc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1O ZINC000825702855 723781482 /nfs/dbraw/zinc/78/14/82/723781482.db2.gz GGLFLZPUBSLLAJ-ZYHUDNBSSA-N 1 0 278.352 1.357 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)CC(=O)NC(C)C ZINC000876548985 723798397 /nfs/dbraw/zinc/79/83/97/723798397.db2.gz FMTJDFVIYBUGFM-UHFFFAOYSA-N 1 0 250.342 1.657 20 10 CDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)[NH3+] ZINC000399412544 723813174 /nfs/dbraw/zinc/81/31/74/723813174.db2.gz WUXWUOIRHJKQNC-IUODEOHRSA-N 1 0 277.412 1.988 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c(O)c1 ZINC000832178878 723821278 /nfs/dbraw/zinc/82/12/78/723821278.db2.gz YSXBOOQKIZZABT-BBRMVZONSA-N 1 0 292.379 1.925 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC000866418808 723862960 /nfs/dbraw/zinc/86/29/60/723862960.db2.gz USIDXHGKFDBKAN-GLQYFDAESA-N 1 0 264.369 1.553 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000817415515 723890909 /nfs/dbraw/zinc/89/09/09/723890909.db2.gz YDYPLHTYBWMHJO-PWSUYJOCSA-N 1 0 251.326 1.746 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000037807392 723984598 /nfs/dbraw/zinc/98/45/98/723984598.db2.gz MBPPNAFOKVLDPT-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311954023 724018943 /nfs/dbraw/zinc/01/89/43/724018943.db2.gz YGLJHKFYIOADAE-ITDIGPHOSA-N 1 0 263.337 1.509 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2COC[C@H]2C)c(O)c1 ZINC000922641458 724132257 /nfs/dbraw/zinc/13/22/57/724132257.db2.gz LTCBOJNBBFDEHM-MFKMUULPSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000828667869 724190857 /nfs/dbraw/zinc/19/08/57/724190857.db2.gz VIADQBULASMWCR-YNZJMPHRSA-N 1 0 290.363 1.578 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000840826794 724204669 /nfs/dbraw/zinc/20/46/69/724204669.db2.gz VXZNWLJLSFSXRG-YDEJPDAXSA-N 1 0 255.289 1.596 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)OCO2 ZINC000718147169 724263573 /nfs/dbraw/zinc/26/35/73/724263573.db2.gz OFWBTMMUWLPZIT-PHIMTYICSA-N 1 0 263.293 1.199 20 10 CDCDRO COc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)cc1C ZINC000792710337 724265063 /nfs/dbraw/zinc/26/50/63/724265063.db2.gz OOXJVXMYBYSYFE-GASCZTMLSA-N 1 0 281.352 1.555 20 10 CDCDRO COCCNCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817964470 724321667 /nfs/dbraw/zinc/32/16/67/724321667.db2.gz DVXUNRRJAUCTSY-CMPLNLGQSA-N 1 0 282.359 1.905 20 10 CDCDRO CC[C@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007141 724328174 /nfs/dbraw/zinc/32/81/74/724328174.db2.gz IAFIVZPWWKRMCS-OAHLLOKOSA-N 1 0 289.379 1.801 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1O ZINC000866497478 724342506 /nfs/dbraw/zinc/34/25/06/724342506.db2.gz MQJWLDOQYLCCQI-YUSALJHKSA-N 1 0 267.325 1.201 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000846053868 724448329 /nfs/dbraw/zinc/44/83/29/724448329.db2.gz ZKNTZKZOJKIXBJ-ZIAGYGMSSA-N 1 0 265.353 1.591 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923320150 724449339 /nfs/dbraw/zinc/44/93/39/724449339.db2.gz VMSMQNVPWRCWBP-XIRDDKMYSA-N 1 0 291.439 1.815 20 10 CDCDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC000193400240 724457132 /nfs/dbraw/zinc/45/71/32/724457132.db2.gz FWYHVWUYZWIVFR-OKILXGFUSA-N 1 0 278.396 1.933 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](C)O)C2)cc1 ZINC000076360863 725432711 /nfs/dbraw/zinc/43/27/11/725432711.db2.gz QSVCHWLWSAHBMC-CHWSQXEVSA-N 1 0 264.369 1.492 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CC2)c1 ZINC000122323026 724507826 /nfs/dbraw/zinc/50/78/26/724507826.db2.gz TZABCJMKOQTRGY-SNVBAGLBSA-N 1 0 251.326 1.824 20 10 CDCDRO Oc1ccccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848526372 724522589 /nfs/dbraw/zinc/52/25/89/724522589.db2.gz YAPVZNCATZLGIG-OAHLLOKOSA-N 1 0 276.380 1.735 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[NH+](C)C ZINC000194561480 724579097 /nfs/dbraw/zinc/57/90/97/724579097.db2.gz OVPVGGXEVQICRR-UHFFFAOYSA-N 1 0 291.395 1.043 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000037807418 724602306 /nfs/dbraw/zinc/60/23/06/724602306.db2.gz CQWPKGGYAGFUTN-AWEZNQCLSA-N 1 0 263.385 1.838 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000857114074 724610906 /nfs/dbraw/zinc/61/09/06/724610906.db2.gz JMJAIVZOTOMMAX-LBPRGKRZSA-N 1 0 278.400 1.631 20 10 CDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCCSc1nccs1 ZINC000829527835 724613778 /nfs/dbraw/zinc/61/37/78/724613778.db2.gz HACPPMAHPUAJPA-SECBINFHSA-N 1 0 285.438 1.882 20 10 CDCDRO COc1c(O)c(C[N@H+](C[C@@H](C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000848928767 724641917 /nfs/dbraw/zinc/64/19/17/724641917.db2.gz NGLGGYUVYDZGEQ-SECBINFHSA-N 1 0 296.323 1.654 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000842632644 724656033 /nfs/dbraw/zinc/65/60/33/724656033.db2.gz KGYXTBMMLWOKCC-UHFFFAOYSA-N 1 0 294.395 1.963 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CCN(C)C(=O)[C@H]1C ZINC000840937056 724710572 /nfs/dbraw/zinc/71/05/72/724710572.db2.gz FZRPFOAJUDBNIN-CYBMUJFWSA-N 1 0 275.396 1.724 20 10 CDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902402 724736465 /nfs/dbraw/zinc/73/64/65/724736465.db2.gz PSAJFGDHOCQEQZ-DOMZBBRYSA-N 1 0 276.380 1.478 20 10 CDCDRO Cc1ccc(C[NH2+]CC2([S@](C)=O)CC2)c(O)c1 ZINC000877499155 724743296 /nfs/dbraw/zinc/74/32/96/724743296.db2.gz LVYVIENUTNNECB-KRWDZBQOSA-N 1 0 253.367 1.701 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCN2C)c1 ZINC000712537519 724748268 /nfs/dbraw/zinc/74/82/68/724748268.db2.gz ZRHPNNVVZXMBRC-QWRGUYRKSA-N 1 0 250.342 1.756 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125058050 724773509 /nfs/dbraw/zinc/77/35/09/724773509.db2.gz VOWPFWTXHLMDJH-ZDUSSCGKSA-N 1 0 293.386 1.850 20 10 CDCDRO C[C@H]([NH3+])CN(C)C(=O)NCCCSc1nccs1 ZINC000861609714 724775500 /nfs/dbraw/zinc/77/55/00/724775500.db2.gz OEMBQZVQGROANZ-VIFPVBQESA-N 1 0 288.442 1.614 20 10 CDCDRO CN(C)c1cc(F)c(CN2CCC[C@@H](O)C2)cc1F ZINC000862212688 724784716 /nfs/dbraw/zinc/78/47/16/724784716.db2.gz UXMWFIWDXTVMJK-LLVKDONJSA-N 1 0 270.323 1.988 20 10 CDCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1c[nH+]ccc1N ZINC000817942578 724787731 /nfs/dbraw/zinc/78/77/31/724787731.db2.gz PPPZVOBRVVSPPG-SJKOYZFVSA-N 1 0 299.422 1.911 20 10 CDCDRO CCc1cccc(C[NH2+]Cc2ccc(C(N)=O)nc2)c1O ZINC000848900277 724831338 /nfs/dbraw/zinc/83/13/38/724831338.db2.gz ZVEDTHSTSGZYNN-UHFFFAOYSA-N 1 0 285.347 1.738 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000237067158 723712043 /nfs/dbraw/zinc/71/20/43/723712043.db2.gz JDOUISNGRJPNMV-OAHLLOKOSA-N 1 0 275.396 1.802 20 10 CDCDRO COCC[NH2+]CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597394 723756908 /nfs/dbraw/zinc/75/69/08/723756908.db2.gz GRJNZKMUBXDLHE-UHFFFAOYSA-N 1 0 292.379 1.123 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(C)cc1O ZINC000877563765 723766696 /nfs/dbraw/zinc/76/66/96/723766696.db2.gz PHGNIZAYXKGNCA-ZFWWWQNUSA-N 1 0 265.353 1.842 20 10 CDCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1ccc(N)cc1 ZINC000236746292 723775355 /nfs/dbraw/zinc/77/53/55/723775355.db2.gz QNFLCXRYRTWQHZ-AWEZNQCLSA-N 1 0 263.385 1.643 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000817943314 723782221 /nfs/dbraw/zinc/78/22/21/723782221.db2.gz UHBHWXOGBUISCX-MAZHCROVSA-N 1 0 277.412 1.910 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000843489695 723845385 /nfs/dbraw/zinc/84/53/85/723845385.db2.gz RZQJCSVXCUMTEP-MFKMUULPSA-N 1 0 278.352 1.720 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817419014 723880599 /nfs/dbraw/zinc/88/05/99/723880599.db2.gz OCVHIMKUYDOBKF-SECBINFHSA-N 1 0 293.758 1.527 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC000922157679 723889287 /nfs/dbraw/zinc/88/92/87/723889287.db2.gz CODHALJIEDIUGH-CQSZACIVSA-N 1 0 274.364 1.722 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3[NH2+]CC3(C)C)ccc21 ZINC000827914160 723904677 /nfs/dbraw/zinc/90/46/77/723904677.db2.gz ZNJCHEKQHTVYGT-OAHLLOKOSA-N 1 0 287.407 1.683 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C3=CC(=O)CS3)[C@@H]2C1 ZINC000822438831 724067553 /nfs/dbraw/zinc/06/75/53/724067553.db2.gz WGTCACWDJFBPHD-GXSJLCMTSA-N 1 0 266.366 1.620 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000858547197 724091997 /nfs/dbraw/zinc/09/19/97/724091997.db2.gz FKGJRQVNBYRSLM-CZUORRHYSA-N 1 0 277.412 1.470 20 10 CDCDRO CC[C@H](OC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280310 724101834 /nfs/dbraw/zinc/10/18/34/724101834.db2.gz OSXLLSDTCDKJQY-KGLIPLIRSA-N 1 0 279.384 1.294 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1C ZINC000841085546 724313848 /nfs/dbraw/zinc/31/38/48/724313848.db2.gz GROCKBJFIDBACH-CQSZACIVSA-N 1 0 264.369 1.477 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000877095733 724314579 /nfs/dbraw/zinc/31/45/79/724314579.db2.gz SQZZPWIOOIIBEI-UHFFFAOYSA-N 1 0 276.296 1.595 20 10 CDCDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000884028765 724330419 /nfs/dbraw/zinc/33/04/19/724330419.db2.gz QNIHTSPXHCKUJI-ZDUSSCGKSA-N 1 0 261.369 1.173 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC000704374485 724359341 /nfs/dbraw/zinc/35/93/41/724359341.db2.gz AADHTQRVPBFIKS-ZWNOBZJWSA-N 1 0 278.352 1.672 20 10 CDCDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870987675 725052825 /nfs/dbraw/zinc/05/28/25/725052825.db2.gz AEKVDGXQRAXPGR-KOLCDFICSA-N 1 0 268.382 1.650 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)C)cc1 ZINC000843121939 725067406 /nfs/dbraw/zinc/06/74/06/725067406.db2.gz LXVRZVDKNINOMX-ZFWWWQNUSA-N 1 0 265.376 1.884 20 10 CDCDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)CC1=O ZINC000391500085 725068266 /nfs/dbraw/zinc/06/82/66/725068266.db2.gz VOBKOFQJNVINMV-VXGBXAGGSA-N 1 0 262.353 1.972 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000130380894 725069251 /nfs/dbraw/zinc/06/92/51/725069251.db2.gz YDGJJKGVJCYRTJ-OAHLLOKOSA-N 1 0 291.395 1.471 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1 ZINC000185340178 725085095 /nfs/dbraw/zinc/08/50/95/725085095.db2.gz CUDDEEGJLSWIBS-STQMWFEESA-N 1 0 294.395 1.772 20 10 CDCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305842873 725090912 /nfs/dbraw/zinc/09/09/12/725090912.db2.gz HNFRVFZPMQZTOP-GOEBONIOSA-N 1 0 290.407 1.726 20 10 CDCDRO CN(Cc1cc(Br)ccc1O)C1C[NH2+]C1 ZINC000234281385 725092727 /nfs/dbraw/zinc/09/27/27/725092727.db2.gz FURYYJWXQCZXMA-UHFFFAOYSA-N 1 0 271.158 1.558 20 10 CDCDRO Cc1ccc(CN(CC[NH+](C)C)CC(=O)N(C)C)c(O)c1 ZINC000877629467 725150284 /nfs/dbraw/zinc/15/02/84/725150284.db2.gz SYHFLTQXEXPQSL-UHFFFAOYSA-N 1 0 293.411 1.152 20 10 CDCDRO OC[C@@H](CC(F)F)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000717743100 725162476 /nfs/dbraw/zinc/16/24/76/725162476.db2.gz GZLLIRYZJAYSTM-ZJUUUORDSA-N 1 0 257.280 1.985 20 10 CDCDRO CCOc1ccc(O)c(CN2CCC[C@H]([NH3+])C2)c1 ZINC000843043871 725181620 /nfs/dbraw/zinc/18/16/20/725181620.db2.gz NLMAAFDJHIBOGH-LBPRGKRZSA-N 1 0 250.342 1.714 20 10 CDCDRO COC[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122116979 725198258 /nfs/dbraw/zinc/19/82/58/725198258.db2.gz PWKZYWRZSYKIAY-GFCCVEGCSA-N 1 0 282.359 1.991 20 10 CDCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCCC[NH+]1CCCC1 ZINC000779488438 725205801 /nfs/dbraw/zinc/20/58/01/725205801.db2.gz GBDVQXRHQBMVDF-ALCCZGGFSA-N 1 0 290.363 1.713 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000036871269 725216215 /nfs/dbraw/zinc/21/62/15/725216215.db2.gz LHBNBBNRTNYSGI-CQSZACIVSA-N 1 0 277.368 1.081 20 10 CDCDRO Cc1cc(C[NH2+]C2(C(N)=O)CCOCC2)ccc1N(C)C ZINC000852493031 725220532 /nfs/dbraw/zinc/22/05/32/725220532.db2.gz DAHUFMUVQRFMFH-UHFFFAOYSA-N 1 0 291.395 1.185 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c1O ZINC000857068163 725266480 /nfs/dbraw/zinc/26/64/80/725266480.db2.gz LDLMDKFSFIHRRU-GFCCVEGCSA-N 1 0 298.770 1.765 20 10 CDCDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)CC[C@H]21 ZINC000881440076 725284137 /nfs/dbraw/zinc/28/41/37/725284137.db2.gz SFGJXRWPVAQZAJ-GXSJLCMTSA-N 1 0 294.326 1.403 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000836623986 725296718 /nfs/dbraw/zinc/29/67/18/725296718.db2.gz WLACEKQHYTUSSU-ZDUSSCGKSA-N 1 0 292.427 1.810 20 10 CDCDRO Cc1ccc(C[NH2+]CC2(OCCO)CCOCC2)c(O)c1 ZINC000877501449 725317332 /nfs/dbraw/zinc/31/73/32/725317332.db2.gz QBLMQNRGBWFVHJ-UHFFFAOYSA-N 1 0 295.379 1.348 20 10 CDCDRO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@H](C)[N@H+]1C ZINC000841955940 725330512 /nfs/dbraw/zinc/33/05/12/725330512.db2.gz RWZYBQLSYJYOKH-BETUJISGSA-N 1 0 290.411 1.545 20 10 CDCDRO Cc1cccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC000271836316 725348113 /nfs/dbraw/zinc/34/81/13/725348113.db2.gz PPFNMEXVEGCCLM-UHFFFAOYSA-N 1 0 274.364 1.803 20 10 CDCDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923006533 725359113 /nfs/dbraw/zinc/35/91/13/725359113.db2.gz BHJHUPWXAZUJOY-SHTZXODSSA-N 1 0 276.380 1.384 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2COCCO2)c1O ZINC000846142604 725378104 /nfs/dbraw/zinc/37/81/04/725378104.db2.gz FQOJRFJEEQGNQW-WDEREUQCSA-N 1 0 267.325 1.467 20 10 CDCDRO CCO[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300115 725385400 /nfs/dbraw/zinc/38/54/00/725385400.db2.gz MHKUMRSDOCSVQZ-FZMZJTMJSA-N 1 0 279.384 1.294 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1cc(F)ccc1O ZINC000817984173 725385712 /nfs/dbraw/zinc/38/57/12/725385712.db2.gz VRSXNSNVKIMKKC-ONGXEEELSA-N 1 0 254.305 1.170 20 10 CDCDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305842406 725386430 /nfs/dbraw/zinc/38/64/30/725386430.db2.gz HNFRVFZPMQZTOP-GDBMZVCRSA-N 1 0 290.407 1.726 20 10 CDCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2O)C1 ZINC000179587518 725399266 /nfs/dbraw/zinc/39/92/66/725399266.db2.gz FGNRIJCXRJWWBU-ZDUSSCGKSA-N 1 0 262.353 1.692 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000312876845 725405802 /nfs/dbraw/zinc/40/58/02/725405802.db2.gz BLJOEQUCAIIGAI-UHFFFAOYSA-N 1 0 266.341 1.405 20 10 CDCDRO Cc1cccc(C[N@H+](C)CC(=O)N2CCCC2)c1O ZINC000124520418 725409189 /nfs/dbraw/zinc/40/91/89/725409189.db2.gz KVXGKHZXXOHWAP-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO COCC[NH2+]CCNCc1cc(Cl)cc(OC)c1O ZINC000841048188 725414813 /nfs/dbraw/zinc/41/48/13/725414813.db2.gz MRRSBSJNZUGVJU-UHFFFAOYSA-N 1 0 288.775 1.380 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)CCNC(C)=O)cc1 ZINC000830147989 725418760 /nfs/dbraw/zinc/41/87/60/725418760.db2.gz AETBFICMOWPMHH-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000397111182 725447503 /nfs/dbraw/zinc/44/75/03/725447503.db2.gz CHBFBHQIYJBRQO-CQSZACIVSA-N 1 0 265.309 1.637 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC2CC[NH2+]CC2)c1 ZINC000828666819 725451856 /nfs/dbraw/zinc/45/18/56/725451856.db2.gz JBNQPUDWITZZLM-NSHDSACASA-N 1 0 292.379 1.968 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+]C(C)(C)C2)cc1OC ZINC000775665706 725462361 /nfs/dbraw/zinc/46/23/61/725462361.db2.gz JZBVQZHBUNONNV-UHFFFAOYSA-N 1 0 280.368 1.593 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1O ZINC000092101333 725478284 /nfs/dbraw/zinc/47/82/84/725478284.db2.gz GHNVIBXVASYZTH-ZDUSSCGKSA-N 1 0 292.379 1.701 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000817955211 725479106 /nfs/dbraw/zinc/47/91/06/725479106.db2.gz SMFANZUUKVSMOA-VXGBXAGGSA-N 1 0 292.379 1.829 20 10 CDCDRO c1cc2c(cc1C[NH2+]C[C@@H]1CNCCO1)CCCO2 ZINC000258890317 725540440 /nfs/dbraw/zinc/54/04/40/725540440.db2.gz KAGOSDFRIYCFGA-AWEZNQCLSA-N 1 0 262.353 1.090 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000841855308 725612781 /nfs/dbraw/zinc/61/27/81/725612781.db2.gz DHSBEEKQDSMZTH-CABCVRRESA-N 1 0 287.407 1.659 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)C[C@H](C)O1 ZINC000844740694 725620863 /nfs/dbraw/zinc/62/08/63/725620863.db2.gz JEXWMMHAVZALMC-JSGCOSHPSA-N 1 0 293.363 1.771 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)CN2CCOCC2)c1 ZINC000308640098 725695378 /nfs/dbraw/zinc/69/53/78/725695378.db2.gz OBCPYPVVZGFFRC-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO COc1c(O)c(CN2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000824572528 725708882 /nfs/dbraw/zinc/70/88/82/725708882.db2.gz ZBBNVYFWBGHRLG-VIFPVBQESA-N 1 0 270.260 1.853 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000841955648 725916883 /nfs/dbraw/zinc/91/68/83/725916883.db2.gz IZHFMHUBQFLCDR-CABCVRRESA-N 1 0 288.395 1.347 20 10 CDCDRO COc1cccc(CN2CC[NH2+][C@@H](C(C)C)C2)c1O ZINC000843103531 725933942 /nfs/dbraw/zinc/93/39/42/725933942.db2.gz AWXNPRJLSKJHAS-CYBMUJFWSA-N 1 0 264.369 1.831 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000827812209 725943344 /nfs/dbraw/zinc/94/33/44/725943344.db2.gz FVMDEWBSBYFPQF-HOMQSWHASA-N 1 0 295.335 1.451 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCC[S@@](C)=O)c1O ZINC000169089007 725958755 /nfs/dbraw/zinc/95/87/55/725958755.db2.gz QMUSXAZPVZMVJL-SFHVURJKSA-N 1 0 291.800 1.912 20 10 CDCDRO COCC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778999818 725982366 /nfs/dbraw/zinc/98/23/66/725982366.db2.gz LAOBAGFSZNBFJE-UHFFFAOYSA-N 1 0 296.342 1.258 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000814174117 725985629 /nfs/dbraw/zinc/98/56/29/725985629.db2.gz YXQUWTFEOLJFSM-WCQYABFASA-N 1 0 292.379 1.545 20 10 CDCDRO CC(C)([NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841950812 725994995 /nfs/dbraw/zinc/99/49/95/725994995.db2.gz QPHMGCJTUMMCCH-UHFFFAOYSA-N 1 0 291.395 1.808 20 10 CDCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120699 726008148 /nfs/dbraw/zinc/00/81/48/726008148.db2.gz BQBOFKOTQNYLKM-ZDUSSCGKSA-N 1 0 295.814 1.525 20 10 CDCDRO COCC1C[NH+](Cc2ccc(CC(=O)OC)cc2O)C1 ZINC001249173728 912527547 /nfs/dbraw/zinc/52/75/47/912527547.db2.gz VQAWQLDAJWVRGH-UHFFFAOYSA-N 1 0 279.336 1.186 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2c(O)ccc(F)c2F)CC[C@H]1F ZINC001206200640 912566546 /nfs/dbraw/zinc/56/65/46/912566546.db2.gz SIRJQFNNCRJIML-MWLCHTKSSA-N 1 0 274.286 1.932 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC001140742800 898163151 /nfs/dbraw/zinc/16/31/51/898163151.db2.gz 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C[N@H+]1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]2C1 ZINC001140584467 936727609 /nfs/dbraw/zinc/72/76/09/936727609.db2.gz SFOBJWPQVZETRS-AOOOYVTPSA-N 1 0 268.307 1.664 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1 ZINC001140617556 936731418 /nfs/dbraw/zinc/73/14/18/936731418.db2.gz TYQDAOWRRBIFCP-YPMHNXCESA-N 1 0 253.317 1.853 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1 ZINC001140620014 936731515 /nfs/dbraw/zinc/73/15/15/936731515.db2.gz ZFMAIALJYFKBOJ-XNRPHZJLSA-N 1 0 277.364 1.672 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1 ZINC001140619839 936731741 /nfs/dbraw/zinc/73/17/41/936731741.db2.gz RHVSPNGKUMDCNM-AWEZNQCLSA-N 1 0 277.364 1.816 20 10 CDCDRO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660482 936736638 /nfs/dbraw/zinc/73/66/38/936736638.db2.gz SXQYAXPYPPCLAJ-MRXNPFEDSA-N 1 0 294.370 1.619 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749719 936749851 /nfs/dbraw/zinc/74/98/51/936749851.db2.gz 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CS(=O)(=O)C1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC001169864686 928487984 /nfs/dbraw/zinc/48/79/84/928487984.db2.gz ZKZQRIFPNSDRAM-UHFFFAOYSA-N 1 0 299.392 1.543 20 10 CDCDRO CCN(C)c1cc(NCc2ccc(O)c(O)c2)ncn1 ZINC001169991050 928862501 /nfs/dbraw/zinc/86/25/01/928862501.db2.gz XCMXNPFIXHCDBR-UHFFFAOYSA-N 1 0 274.324 1.956 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000697603385 937284990 /nfs/dbraw/zinc/28/49/90/937284990.db2.gz HVSOZVQCFFEXRG-VXGBXAGGSA-N 1 0 284.425 1.836 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@]2(CO)CCOC2)c(O)c1 ZINC000862427131 929414148 /nfs/dbraw/zinc/41/41/48/929414148.db2.gz UDSZFQPRRUSFPJ-HNNXBMFYSA-N 1 0 281.352 1.374 20 10 CDCDRO C[NH+](C)CCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000133872321 937496903 /nfs/dbraw/zinc/49/69/03/937496903.db2.gz FJGPAUYLJHTJOI-UHFFFAOYSA-N 1 0 297.830 1.725 20 10 CDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504123 931865430 /nfs/dbraw/zinc/86/54/30/931865430.db2.gz MGYHSDWNUPIQSK-IUCAKERBSA-N 1 0 253.298 1.149 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C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(O)c(O)c(O)c2)C1 ZINC001205838181 939943844 /nfs/dbraw/zinc/94/38/44/939943844.db2.gz BBPFQXZCNZKTLU-KOLCDFICSA-N 1 0 266.341 1.363 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CC[C@H]1O ZINC001206110455 939981458 /nfs/dbraw/zinc/98/14/58/939981458.db2.gz XYBYCLRMCOAVGS-GHMZBOCLSA-N 1 0 274.723 1.079 20 10 CDCDRO COc1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(O)c1 ZINC001206405798 940033081 /nfs/dbraw/zinc/03/30/81/940033081.db2.gz SPIBYOZHFRHRCZ-GHMZBOCLSA-N 1 0 254.305 1.272 20 10 CDCDRO COC(C[N@@H+]1CCCc2cc(O)c(O)cc2C1)OC ZINC001207256854 940172522 /nfs/dbraw/zinc/17/25/22/940172522.db2.gz NSRZNXWASACDJC-UHFFFAOYSA-N 1 0 267.325 1.465 20 10 CDCDRO C[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[NH2+]1 ZINC000088058870 940238196 /nfs/dbraw/zinc/23/81/96/940238196.db2.gz MUKOKOAWHCLAGA-CYBMUJFWSA-N 1 0 259.397 1.863 20 10 CDCDRO CC1(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)COC1 ZINC001207800826 940248353 /nfs/dbraw/zinc/24/83/53/940248353.db2.gz XKYLIYJDVJGVJB-UHFFFAOYSA-N 1 0 263.337 1.883 20 10 CDCDRO COc1cccc(C[NH2+]CCN2CCCC2=O)c1O ZINC000405332318 940981452 /nfs/dbraw/zinc/98/14/52/940981452.db2.gz CZJZJYUDAABBMU-UHFFFAOYSA-N 1 0 264.325 1.113 20 10 CDCDRO Nc1ccc(CC(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)cc1 ZINC001218714142 941261340 /nfs/dbraw/zinc/26/13/40/941261340.db2.gz VBZXGGANYJIQOF-GFCCVEGCSA-N 1 0 286.335 1.863 20 10 CDCDRO [NH3+][C@@]12CC[C@@](NC(=O)c3cc(O)c(O)c(O)c3)(C1)CCC2 ZINC001220782772 941472484 /nfs/dbraw/zinc/47/24/84/941472484.db2.gz UPAMWPVPCJZZHS-LSDHHAIUSA-N 1 0 292.335 1.337 20 10 CDCDRO CCn1ccc(-c2cnn(CC[NH+]3CCCC3)c2)cc1=O ZINC001222493756 941602187 /nfs/dbraw/zinc/60/21/87/941602187.db2.gz UNJWOSIBFSNIIH-UHFFFAOYSA-N 1 0 286.379 1.828 20 10 CDCDRO CC[NH+]1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226465693 942010651 /nfs/dbraw/zinc/01/06/51/942010651.db2.gz WPXXUAHREFFSSK-UHFFFAOYSA-N 1 0 285.296 1.078 20 10 CDCDRO O=C(Nc1cn[nH]c1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001277442646 942581174 /nfs/dbraw/zinc/58/11/74/942581174.db2.gz 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943026120 /nfs/dbraw/zinc/02/61/20/943026120.db2.gz LVESQKKHTQDYTB-UHFFFAOYSA-N 1 0 277.368 1.642 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c(O)c1 ZINC001232835719 943414087 /nfs/dbraw/zinc/41/40/87/943414087.db2.gz GLULLMGIYBGGSY-ZDUSSCGKSA-N 1 0 280.343 1.961 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)cc1O)C1CN(C)C1 ZINC001232840506 943417436 /nfs/dbraw/zinc/41/74/36/943417436.db2.gz BQAAYTFAJVQWBT-UHFFFAOYSA-N 1 0 263.385 1.594 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC001233284558 943531837 /nfs/dbraw/zinc/53/18/37/943531837.db2.gz ZJOQQMLPWHDTMJ-DOMZBBRYSA-N 1 0 279.380 1.475 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483404 943593035 /nfs/dbraw/zinc/59/30/35/943593035.db2.gz YNMQAKKROGFZSQ-ZDUSSCGKSA-N 1 0 253.298 1.008 20 10 CDCDRO COC(=O)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483801 943593133 /nfs/dbraw/zinc/59/31/33/943593133.db2.gz MQMFGSLUDOYHPQ-UHFFFAOYSA-N 1 0 281.308 1.188 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(C[C@H](F)CO3)CC2)cc1O ZINC001233486401 943594485 /nfs/dbraw/zinc/59/44/85/943594485.db2.gz LVSUMRRJKMRLEZ-NSHDSACASA-N 1 0 297.326 1.896 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(O)c(O)cc2O)C(C)(C)C1 ZINC001233487905 943595173 /nfs/dbraw/zinc/59/51/73/943595173.db2.gz WEPXNJZUZRNSJR-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000385168803 944067934 /nfs/dbraw/zinc/06/79/34/944067934.db2.gz WYPNPDZBNUQDJS-LDYMZIIASA-N 1 0 270.760 1.976 20 10 CDCDRO Oc1cccc(Cl)c1CN(C1CC1)C1C[NH2+]C1 ZINC001236065138 944399079 /nfs/dbraw/zinc/39/90/79/944399079.db2.gz ZZZIMCIQKHRSSN-UHFFFAOYSA-N 1 0 252.745 1.982 20 10 CDCDRO OCCCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001236100386 944405098 /nfs/dbraw/zinc/40/50/98/944405098.db2.gz GOLFFLKUBZUDNV-UHFFFAOYSA-N 1 0 251.326 1.619 20 10 CDCDRO c1cc(N2CCCC2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236295683 944453456 /nfs/dbraw/zinc/45/34/56/944453456.db2.gz YSDYMANRISYLBH-GOEBONIOSA-N 1 0 257.381 1.690 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCCO)CC2)c(C)c1 ZINC001236366434 944484234 /nfs/dbraw/zinc/48/42/34/944484234.db2.gz BYXLFZZVSBOZBZ-UHFFFAOYSA-N 1 0 278.396 1.898 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001236806932 944573307 /nfs/dbraw/zinc/57/33/07/944573307.db2.gz CWGUNEBZRYXCFI-CVEARBPZSA-N 1 0 295.379 1.274 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@H]([NH3+])C3(COC3)C2)cc1 ZINC001237177417 944675877 /nfs/dbraw/zinc/67/58/77/944675877.db2.gz XNPMCNVZNFMRPB-INIZCTEOSA-N 1 0 289.423 1.692 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(O)c(OC)c1 ZINC001237668372 944913344 /nfs/dbraw/zinc/91/33/44/944913344.db2.gz DBNIGCLPXALONF-CHWSQXEVSA-N 1 0 279.336 1.773 20 10 CDCDRO COc1cc(C[NH+]2CCC(CO)CC2)c(O)c(OC)c1 ZINC001237670662 944917641 /nfs/dbraw/zinc/91/76/41/944917641.db2.gz VKENVSLEWVMXFL-UHFFFAOYSA-N 1 0 281.352 1.614 20 10 CDCDRO C[NH+]1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237809374 944960040 /nfs/dbraw/zinc/96/00/40/944960040.db2.gz HQUWKBNTZJDIHA-UHFFFAOYSA-N 1 0 258.724 1.932 20 10 CDCDRO O=c1cc[nH]cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237847026 944981863 /nfs/dbraw/zinc/98/18/63/944981863.db2.gz DRUPXAGTCUDKNO-UHFFFAOYSA-N 1 0 256.305 1.639 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1cc(F)cc(C)c1O ZINC001238070666 945052001 /nfs/dbraw/zinc/05/20/01/945052001.db2.gz NZOQMMFVSUFWMC-UHFFFAOYSA-N 1 0 296.386 1.994 20 10 CDCDRO Cc1cc(-c2nccn2C)c(-c2cncc(C[NH3+])c2)nn1 ZINC001239790456 945582699 /nfs/dbraw/zinc/58/26/99/945582699.db2.gz LLZNCHXWMSCVMP-UHFFFAOYSA-N 1 0 280.335 1.706 20 10 CDCDRO C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC001261424578 946113072 /nfs/dbraw/zinc/11/30/72/946113072.db2.gz XYBLHXLNGXNJPO-WDEREUQCSA-N 1 0 280.368 1.827 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)c(O)c1OC ZINC001262361987 946608653 /nfs/dbraw/zinc/60/86/53/946608653.db2.gz CPRKVLXLUYHOIK-OAHLLOKOSA-N 1 0 283.368 1.906 20 10 CDCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC001254321629 947359446 /nfs/dbraw/zinc/35/94/46/947359446.db2.gz JZMUKVLCHFAJHN-LLVKDONJSA-N 1 0 269.366 1.286 20 10 CDCDRO CC[C@@]1(C(=O)OC)C[C@H]([NH2+]Cc2ccc(N)cc2)CN1 ZINC001246168022 948003701 /nfs/dbraw/zinc/00/37/01/948003701.db2.gz CKSDEZZVPVSEEI-ZFWWWQNUSA-N 1 0 277.368 1.042 20 10 CDCDRO C[C@H]1CC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C[NH2+]1 ZINC001246875927 948498084 /nfs/dbraw/zinc/49/80/84/948498084.db2.gz JOLOFYMCYYGTKV-SMDDNHRTSA-N 1 0 276.380 1.987 20 10 CDCDRO Cc1cc(C)c(C[NH2+]CC2(O)CCOCC2)c(O)c1 ZINC001252976039 951731191 /nfs/dbraw/zinc/73/11/91/951731191.db2.gz USSXEEGEVJYRLT-UHFFFAOYSA-N 1 0 265.353 1.640 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001325021963 953685744 /nfs/dbraw/zinc/68/57/44/953685744.db2.gz PHGKGGNBQFQYIB-JKSUJKDBSA-N 1 0 276.380 1.790 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@]3(CCOC3=O)C2)c(O)c1 ZINC001308984623 956613069 /nfs/dbraw/zinc/61/30/69/956613069.db2.gz KZSAWDDDDGTVQL-HNNXBMFYSA-N 1 0 261.321 1.840 20 10 CDCDRO C[C@H](C(=O)NCc1ccc(O)c(O)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001320507006 959213394 /nfs/dbraw/zinc/21/33/94/959213394.db2.gz GCDCLWZFPJPJIQ-IJLUTSLNSA-N 1 0 292.379 1.975 20 10 CDCDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1c(O)cccc1F ZINC001341124391 963283343 /nfs/dbraw/zinc/28/33/43/963283343.db2.gz PIAJREWCUVQPSS-JTQLQIEISA-N 1 0 266.316 1.393 20 10 CDCDRO Nc1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC001342701439 963801013 /nfs/dbraw/zinc/80/10/13/963801013.db2.gz YSUDDKPLMNJURM-HIFRSBDPSA-N 1 0 259.353 1.275 20 10 CDCDRO NC(=O)C1([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001343583372 964049449 /nfs/dbraw/zinc/04/94/49/964049449.db2.gz GTEBMQJROQMIKZ-UHFFFAOYSA-N 1 0 259.353 1.394 20 10 CDCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(N)cc1 ZINC001345159134 964610282 /nfs/dbraw/zinc/61/02/82/964610282.db2.gz CDTJLHVWWARZEL-CYBMUJFWSA-N 1 0 280.393 1.749 20 10 CDCDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc(O)c1O ZINC001348360597 965951645 /nfs/dbraw/zinc/95/16/45/965951645.db2.gz NKBMDAGUZQGFTJ-LLVKDONJSA-N 1 0 280.368 1.948 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC001348550227 966053616 /nfs/dbraw/zinc/05/36/16/966053616.db2.gz DOVYQEXXTZCBSO-GFCCVEGCSA-N 1 0 292.427 1.716 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N)cc1 ZINC001353539939 968057102 /nfs/dbraw/zinc/05/71/02/968057102.db2.gz QZWWAPMRJAQVNN-CQSZACIVSA-N 1 0 276.384 1.504 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848407060 969072799 /nfs/dbraw/zinc/07/27/99/969072799.db2.gz LRUWFOBXOWXUSR-DOTOQJQBSA-N 1 0 287.407 1.759 20 10 CDCDRO CNC(=O)CC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001356083174 969328707 /nfs/dbraw/zinc/32/87/07/969328707.db2.gz LWJOBOMFYLKOHH-UHFFFAOYSA-N 1 0 261.369 1.617 20 10 CDCDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)c(OC)c1 ZINC001206075322 1163607294 /nfs/dbraw/zinc/60/72/94/1163607294.db2.gz FZFQHEWVTSHXAG-BXKDBHETSA-N 1 0 266.341 1.188 20 10 CDCDRO COCC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1O ZINC001573974403 1170846740 /nfs/dbraw/zinc/84/67/40/1170846740.db2.gz GJLUETSMVLYQBC-JTQLQIEISA-N 1 0 272.732 1.026 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001577172268 1171612971 /nfs/dbraw/zinc/61/29/71/1171612971.db2.gz RVKJPJJYFRDAIJ-BXUZGUMPSA-N 1 0 263.385 1.928 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccccc1O)C(=O)NCc1ccco1 ZINC000111399120 365605464 /nfs/dbraw/zinc/60/54/64/365605464.db2.gz LAPXBNHPZAKGDB-LLVKDONJSA-N 1 0 274.320 1.780 20 10 CDCDRO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccccc1O)CC2 ZINC000179585382 357213950 /nfs/dbraw/zinc/21/39/50/357213950.db2.gz DSHPOUDHSPTZKH-UHFFFAOYSA-N 1 0 271.320 1.044 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000179585568 357214653 /nfs/dbraw/zinc/21/46/53/357214653.db2.gz WVONZQXQKMRQRI-UHFFFAOYSA-N 1 0 263.337 1.774 20 10 CDCDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000295938971 357586239 /nfs/dbraw/zinc/58/62/39/357586239.db2.gz KTITVKIWQDNUMH-GFCCVEGCSA-N 1 0 260.337 1.495 20 10 CDCDRO CCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000188959413 357956657 /nfs/dbraw/zinc/95/66/57/357956657.db2.gz VWHWHPULVSVJRS-VQHVLOKHSA-N 1 0 292.379 1.911 20 10 CDCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000083460763 358207274 /nfs/dbraw/zinc/20/72/74/358207274.db2.gz NQBUXEAUJSYXEJ-AWEZNQCLSA-N 1 0 263.385 1.886 20 10 CDCDRO CC[C@]1(C(=O)N(C)Cc2ccccc2O)CC[NH2+]C1 ZINC000062896293 360027113 /nfs/dbraw/zinc/02/71/13/360027113.db2.gz IZWUNMGBQHRSDP-HNNXBMFYSA-N 1 0 262.353 1.740 20 10 CDCDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000269442310 364195205 /nfs/dbraw/zinc/19/52/05/364195205.db2.gz GBEUPKKMHJQHLD-LBPRGKRZSA-N 1 0 298.408 1.153 20 10 CDCDRO C[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1O ZINC000269604953 364261199 /nfs/dbraw/zinc/26/11/99/364261199.db2.gz BQJXARUCWPBVDD-ZDUSSCGKSA-N 1 0 278.352 1.119 20 10 CDCDRO C[NH+](C)C1(CNC(=O)Cc2ccc(N)cc2)CCCC1 ZINC000110374432 365042003 /nfs/dbraw/zinc/04/20/03/365042003.db2.gz FGPXTTSUSQNQCJ-UHFFFAOYSA-N 1 0 275.396 1.802 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000272473032 365254056 /nfs/dbraw/zinc/25/40/56/365254056.db2.gz AVFYSPLWLKZZBR-NEPJUHHUSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(O)c1O ZINC000272709641 365360610 /nfs/dbraw/zinc/36/06/10/365360610.db2.gz DLYZLAPFFUBGBS-LBPRGKRZSA-N 1 0 292.379 1.820 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)CCCO)c(O)c1 ZINC000281679380 367672978 /nfs/dbraw/zinc/67/29/78/367672978.db2.gz FAMCTGJUCBDGCN-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284104556 368478845 /nfs/dbraw/zinc/47/88/45/368478845.db2.gz MRFSBQYDQCMQJG-LBPRGKRZSA-N 1 0 283.393 1.649 20 10 CDCDRO C[N@H+](CCNC(=O)c1c(F)ccc(O)c1O)C1CC1 ZINC000294820223 371093171 /nfs/dbraw/zinc/09/31/71/371093171.db2.gz KIUNZTPLLCVYNS-UHFFFAOYSA-N 1 0 268.288 1.061 20 10 CDCDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000295964221 371539492 /nfs/dbraw/zinc/53/94/92/371539492.db2.gz HYEISYBPYGEAQW-SECBINFHSA-N 1 0 284.331 1.695 20 10 CDCDRO CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166475988 261390150 /nfs/dbraw/zinc/39/01/50/261390150.db2.gz SSTJYTLHXFVYRX-ZDUSSCGKSA-N 1 0 261.369 1.423 20 10 CDCDRO CS(=O)(=O)NCCC[NH2+]Cc1c(O)cccc1Cl ZINC000113317457 390798488 /nfs/dbraw/zinc/79/84/88/390798488.db2.gz GDZDKZOFEUSZRQ-UHFFFAOYSA-N 1 0 292.788 1.075 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH+](C(C)C)CC2)c1 ZINC000132265131 390895232 /nfs/dbraw/zinc/89/52/32/390895232.db2.gz UMWNBUZXYRNRHP-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO C[N@H+](Cc1ccccc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000179560756 391210605 /nfs/dbraw/zinc/21/06/05/391210605.db2.gz JYDYSBPDCQFROB-UHFFFAOYSA-N 1 0 298.408 1.248 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CC([C@H]3CCOC3)C1)OCO2 ZINC000376020849 391210962 /nfs/dbraw/zinc/21/09/62/391210962.db2.gz HZFOVRUIWDAXNK-JTQLQIEISA-N 1 0 277.320 1.589 20 10 CDCDRO Cn1cc(N2CC[NH+](Cc3ccccc3O)CC2)cn1 ZINC000179574882 391211817 /nfs/dbraw/zinc/21/18/17/391211817.db2.gz ZCNFZBQJBIZAPO-UHFFFAOYSA-N 1 0 272.352 1.448 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000164756353 391289622 /nfs/dbraw/zinc/28/96/22/391289622.db2.gz QVKRTKZHAAWKGX-GTNSWQLSSA-N 1 0 255.383 1.947 20 10 CDCDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000193306335 391336317 /nfs/dbraw/zinc/33/63/17/391336317.db2.gz FRVQGPBKYNXJGA-GFCCVEGCSA-N 1 0 275.396 1.813 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1OC ZINC000195008096 391374458 /nfs/dbraw/zinc/37/44/58/391374458.db2.gz FLIXLCBREGRFPI-YMTOWFKASA-N 1 0 294.351 1.024 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CCN(C[C@@H](C)O)C[C@H]2C)cc1C ZINC000284250555 391481388 /nfs/dbraw/zinc/48/13/88/391481388.db2.gz FPLDKKFJOUEBHX-HUUCEWRRSA-N 1 0 292.423 1.896 20 10 CDCDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)ccc1O ZINC000289550429 391616061 /nfs/dbraw/zinc/61/60/61/391616061.db2.gz IMSLIXNICDAQQZ-IUODEOHRSA-N 1 0 294.370 1.826 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCOC1)OCO2 ZINC000042880188 174901378 /nfs/dbraw/zinc/90/13/78/174901378.db2.gz GSAJQPUVODTGHB-VIFPVBQESA-N 1 0 251.282 1.247 20 10 CDCDRO Oc1ccccc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000036932450 260052156 /nfs/dbraw/zinc/05/21/56/260052156.db2.gz FHFYXAQPAVLJQC-UHFFFAOYSA-N 1 0 284.363 1.941 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000154992350 261096729 /nfs/dbraw/zinc/09/67/29/261096729.db2.gz OAGOCKXYPOGORI-LBPRGKRZSA-N 1 0 279.359 1.589 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1F ZINC000159760073 261193258 /nfs/dbraw/zinc/19/32/58/261193258.db2.gz JKZCSGBXMOLORB-UHFFFAOYSA-N 1 0 293.386 1.979 20 10 CDCDRO CCC[N@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000161229571 261241380 /nfs/dbraw/zinc/24/13/80/261241380.db2.gz UNKJZSMIPJKYPW-UHFFFAOYSA-N 1 0 253.298 1.325 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186223690 262312303 /nfs/dbraw/zinc/31/23/03/262312303.db2.gz YBNBQFVSWBKSKZ-JTQLQIEISA-N 1 0 280.368 1.824 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000374480396 267793917 /nfs/dbraw/zinc/79/39/17/267793917.db2.gz HYGHRDXXFKYJME-KGLIPLIRSA-N 1 0 259.353 1.164 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000817955208 724383745 /nfs/dbraw/zinc/38/37/45/724383745.db2.gz SMFANZUUKVSMOA-NEPJUHHUSA-N 1 0 292.379 1.829 20 10 CDCDRO CC(=O)NCCC[NH2+]Cc1c(O)cccc1Cl ZINC000113317496 327786114 /nfs/dbraw/zinc/78/61/14/327786114.db2.gz GTCQMAKASYGXHX-UHFFFAOYSA-N 1 0 256.733 1.661 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1O ZINC000378555491 329054630 /nfs/dbraw/zinc/05/46/30/329054630.db2.gz DFKXDSCPCCZQRU-NEPJUHHUSA-N 1 0 290.363 1.763 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000187549376 329358845 /nfs/dbraw/zinc/35/88/45/329358845.db2.gz GBYCKWOFQALOGF-INIZCTEOSA-N 1 0 276.380 1.744 20 10 CDCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000219065996 333141012 /nfs/dbraw/zinc/14/10/12/333141012.db2.gz QBGWZUNKOCMBLQ-ISVAXAHUSA-N 1 0 285.365 1.323 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000134588906 334096006 /nfs/dbraw/zinc/09/60/06/334096006.db2.gz COLWOLRDOPVFDY-NSHDSACASA-N 1 0 278.352 1.501 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(NC(N)=O)CC2)c1O ZINC000093051347 1160190210 /nfs/dbraw/zinc/19/02/10/1160190210.db2.gz JYTQMIVSPBDPJV-UHFFFAOYSA-N 1 0 293.367 1.424 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1O ZINC000050132049 518283704 /nfs/dbraw/zinc/28/37/04/518283704.db2.gz RVCCIZDVNNPGQC-LLVKDONJSA-N 1 0 281.327 1.938 20 10 CDCDRO CCCNC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000036780924 519880944 /nfs/dbraw/zinc/88/09/44/519880944.db2.gz ZCZVYHYHEPBTRG-SNVBAGLBSA-N 1 0 266.341 1.578 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000079390481 520903901 /nfs/dbraw/zinc/90/39/01/520903901.db2.gz JTJXUDDCBXVGQU-OAHLLOKOSA-N 1 0 275.396 1.901 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000237219627 522026562 /nfs/dbraw/zinc/02/65/62/522026562.db2.gz RYIPWAGJJDWKTD-GFCCVEGCSA-N 1 0 275.396 1.541 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1F ZINC000278518614 522211063 /nfs/dbraw/zinc/21/10/63/522211063.db2.gz RJUAZKUGSMAIPR-HNNXBMFYSA-N 1 0 282.359 1.523 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000096832849 522475087 /nfs/dbraw/zinc/47/50/87/522475087.db2.gz RYXPQZRSGWDTEX-SNVBAGLBSA-N 1 0 265.309 1.589 20 10 CDCDRO CN(CC[N@H+](C)C1CC1)Cc1cc2c(cc1O)OCO2 ZINC000290492731 522814124 /nfs/dbraw/zinc/81/41/24/522814124.db2.gz OQOSORKMTTVYMH-UHFFFAOYSA-N 1 0 278.352 1.647 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000275288805 522831317 /nfs/dbraw/zinc/83/13/17/522831317.db2.gz OHDYKBUWWKQPHB-UHFFFAOYSA-N 1 0 279.292 1.164 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cnnn2C)c(O)c1 ZINC000294364371 524330992 /nfs/dbraw/zinc/33/09/92/524330992.db2.gz QNJLTNQHMIXHOC-LLVKDONJSA-N 1 0 260.341 1.988 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@](F)(CO)C2)c1O ZINC000289962611 524395798 /nfs/dbraw/zinc/39/57/98/524395798.db2.gz YOLQSJUACIZOJA-CQSZACIVSA-N 1 0 253.317 1.997 20 10 CDCDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[N@H+](C)C1CC1 ZINC000276625871 524455923 /nfs/dbraw/zinc/45/59/23/524455923.db2.gz RTLSJRRFERULJA-MRVPVSSYSA-N 1 0 282.315 1.449 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](n3cccn3)C1)OCO2 ZINC000290863781 526336485 /nfs/dbraw/zinc/33/64/85/526336485.db2.gz ANXXLTIJWUNFIY-LBPRGKRZSA-N 1 0 287.319 1.764 20 10 CDCDRO CCOc1ccc(C[NH2+]CCCn2cncn2)c(O)c1 ZINC000728783016 574645848 /nfs/dbraw/zinc/64/58/48/574645848.db2.gz XIZFDAKIWJWZIR-UHFFFAOYSA-N 1 0 276.340 1.562 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000771928177 575637810 /nfs/dbraw/zinc/63/78/10/575637810.db2.gz QUAMRBMHPFPTPE-LLVKDONJSA-N 1 0 251.326 1.605 20 10 CDCDRO COCCN1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732288579 575087189 /nfs/dbraw/zinc/08/71/89/575087189.db2.gz DPDZSTYKSJEPIQ-SNVBAGLBSA-N 1 0 284.381 1.294 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CO)C2CC2)c(O)c1 ZINC000734163206 575161042 /nfs/dbraw/zinc/16/10/42/575161042.db2.gz BZZQKJYLWXBFCU-ZDUSSCGKSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOc1ccc(C[NH+](CCOC)CCOC)c(O)c1 ZINC000768142028 576260563 /nfs/dbraw/zinc/26/05/63/576260563.db2.gz BXDMHUHPCMMBFS-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO CCOC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768443232 576283423 /nfs/dbraw/zinc/28/34/23/576283423.db2.gz RVCIXAHLFAAKAX-HNNXBMFYSA-N 1 0 293.363 1.819 20 10 CDCDRO CC1(C)CN(Cc2cc3c(cc2O)OCO3)CC[NH2+]1 ZINC000769191828 576336904 /nfs/dbraw/zinc/33/69/04/576336904.db2.gz OZEDGCKZUWOAAH-UHFFFAOYSA-N 1 0 264.325 1.305 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC000769245726 576339755 /nfs/dbraw/zinc/33/97/55/576339755.db2.gz VHSLCPNKZCFGGX-LLVKDONJSA-N 1 0 251.326 1.605 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C2CC(O)C2)c1O ZINC000761222201 576561357 /nfs/dbraw/zinc/56/13/57/576561357.db2.gz IWDYUAUNSALFGI-UHFFFAOYSA-N 1 0 251.326 1.746 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000742375019 576598498 /nfs/dbraw/zinc/59/84/98/576598498.db2.gz KUHPGLPMUBVXQN-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000748460346 576913921 /nfs/dbraw/zinc/91/39/21/576913921.db2.gz OFGQDFFJSLKZPW-ZIAGYGMSSA-N 1 0 289.379 1.818 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c(O)c1 ZINC000756492020 576992003 /nfs/dbraw/zinc/99/20/03/576992003.db2.gz YTTZQGOAZDFPDQ-CYBMUJFWSA-N 1 0 291.395 1.125 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000756608268 576997306 /nfs/dbraw/zinc/99/73/06/576997306.db2.gz AATSQFSKTIZDRU-NHYWBVRUSA-N 1 0 275.352 1.818 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cc(C)ncn2)c1O ZINC000756989802 577018881 /nfs/dbraw/zinc/01/88/81/577018881.db2.gz GXRXOENEMHRZTR-UHFFFAOYSA-N 1 0 259.309 1.789 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCNC(=O)N(C)C)c(O)c1 ZINC000757864464 577058655 /nfs/dbraw/zinc/05/86/55/577058655.db2.gz HFCPKICIJTYOGZ-UHFFFAOYSA-N 1 0 295.383 1.494 20 10 CDCDRO COCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253419 617391600 /nfs/dbraw/zinc/39/16/00/617391600.db2.gz SJNJJIPJLBEXGB-HNNXBMFYSA-N 1 0 293.411 1.508 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1O ZINC000892027995 617422153 /nfs/dbraw/zinc/42/21/53/617422153.db2.gz OXTBUVMIDRSQMF-SKDRFNHKSA-N 1 0 263.341 1.490 20 10 CDCDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000893181365 617444104 /nfs/dbraw/zinc/44/41/04/617444104.db2.gz IGUCIWQRNYEXHE-GFCCVEGCSA-N 1 0 281.352 1.924 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1O ZINC000892081810 617468859 /nfs/dbraw/zinc/46/88/59/617468859.db2.gz FBEQGNQJWNNBGL-VXGBXAGGSA-N 1 0 277.368 1.895 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891564949 617479734 /nfs/dbraw/zinc/47/97/34/617479734.db2.gz NOADHEBTGFAXST-GXTWGEPZSA-N 1 0 290.411 1.692 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000891814444 617604497 /nfs/dbraw/zinc/60/44/97/617604497.db2.gz SKWYKZZUVGGDJS-OBJOEFQTSA-N 1 0 290.411 1.850 20 10 CDCDRO C[C@@H](NC(=O)NCCC[NH2+]C1CC1)c1ccccc1O ZINC000891967411 617900695 /nfs/dbraw/zinc/90/06/95/617900695.db2.gz BPVWRMQTZHTRRZ-LLVKDONJSA-N 1 0 277.368 1.895 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1O ZINC000840975403 617958820 /nfs/dbraw/zinc/95/88/20/617958820.db2.gz NIHIBYALHUKRDC-JOYOIKCWSA-N 1 0 271.744 1.221 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)c(O)c1OC ZINC000893505453 618004811 /nfs/dbraw/zinc/00/48/11/618004811.db2.gz MRNAWQMNHPVPGN-UWVGGRQHSA-N 1 0 269.341 1.658 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C[S@](C)=O)c(O)c1OC ZINC000893527453 618032588 /nfs/dbraw/zinc/03/25/88/618032588.db2.gz YHDOSGMMZPIDFX-UGZDLDLSSA-N 1 0 287.381 1.266 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(O)CCOCC1 ZINC000840931592 618136755 /nfs/dbraw/zinc/13/67/55/618136755.db2.gz HZLZFNRXIAIEIJ-UHFFFAOYSA-N 1 0 278.396 1.692 20 10 CDCDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817889795 618482973 /nfs/dbraw/zinc/48/29/73/618482973.db2.gz VXPHQMWPHMWNCM-GJZGRUSLSA-N 1 0 293.386 1.632 20 10 CDCDRO COc1c(O)c(CN2CC[NH2+][C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000843056983 618691487 /nfs/dbraw/zinc/69/14/87/618691487.db2.gz DODWSTZIOFOBBC-VHSXEESVSA-N 1 0 295.339 1.491 20 10 CDCDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(OC)c(OC)cc1O ZINC000843057756 618691703 /nfs/dbraw/zinc/69/17/03/618691703.db2.gz HXQFXDDUYNTQJR-ZDUSSCGKSA-N 1 0 294.395 1.983 20 10 CDCDRO CCOc1ccc(O)c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843057901 618691822 /nfs/dbraw/zinc/69/18/22/618691822.db2.gz NVMDRHHQUABDDK-ABAIWWIYSA-N 1 0 280.368 1.339 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000894542886 618952404 /nfs/dbraw/zinc/95/24/04/618952404.db2.gz RBZIYNFOYFQWLD-UHFFFAOYSA-N 1 0 294.307 1.051 20 10 CDCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894664651 619007707 /nfs/dbraw/zinc/00/77/07/619007707.db2.gz WVJKALXPZFQTDD-LLVKDONJSA-N 1 0 269.341 1.612 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2O)c(O)c1OC ZINC000895014361 619203021 /nfs/dbraw/zinc/20/30/21/619203021.db2.gz UBCFIPWTVJGREY-NXEZZACHSA-N 1 0 253.298 1.022 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895322507 619556773 /nfs/dbraw/zinc/55/67/73/619556773.db2.gz UEDGSLQTEHNVHT-AWEZNQCLSA-N 1 0 275.396 1.675 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000895332232 619571884 /nfs/dbraw/zinc/57/18/84/619571884.db2.gz TXVGMOIKYIEJLL-DOMZBBRYSA-N 1 0 281.352 1.109 20 10 CDCDRO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1O ZINC000895923325 619901859 /nfs/dbraw/zinc/90/18/59/619901859.db2.gz WQDSXNUJGWGSAD-GRYCIOLGSA-N 1 0 262.353 1.832 20 10 CDCDRO COc1ccc(C[NH2+]CCO[C@@H]2CCOC2)c(O)c1OC ZINC000897199841 620413009 /nfs/dbraw/zinc/41/30/09/620413009.db2.gz MJJIBNMJRRPOOK-GFCCVEGCSA-N 1 0 297.351 1.305 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000897355419 620550108 /nfs/dbraw/zinc/55/01/08/620550108.db2.gz QTWRCTYLAIHOMK-UMSPYCQHSA-N 1 0 251.326 1.570 20 10 CDCDRO CC[NH2+]CCNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000841934741 620589042 /nfs/dbraw/zinc/58/90/42/620589042.db2.gz JETFDNIXJILCPM-UHFFFAOYSA-N 1 0 292.427 1.894 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCO[C@H]1CCOC1)CC2 ZINC000927082686 621690763 /nfs/dbraw/zinc/69/07/63/621690763.db2.gz HIVRVQIRHPKLMH-QWHCGFSZSA-N 1 0 263.337 1.775 20 10 CDCDRO COc1cc(Cl)cc(CNCC2([NH3+])CC2)c1O ZINC000904449022 626300130 /nfs/dbraw/zinc/30/01/30/626300130.db2.gz DEMXGVMPCWIWBY-UHFFFAOYSA-N 1 0 256.733 1.635 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc1F ZINC000905077533 626392627 /nfs/dbraw/zinc/39/26/27/626392627.db2.gz ZSEWPYRDAPJZSE-CYBMUJFWSA-N 1 0 276.302 1.997 20 10 CDCDRO CC1=NO[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911668201 629387318 /nfs/dbraw/zinc/38/73/18/629387318.db2.gz WDLYIYFAIOIHOF-KBPBESRZSA-N 1 0 290.367 1.033 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+]2C)c1 ZINC000925410299 631450390 /nfs/dbraw/zinc/45/03/90/631450390.db2.gz ZPLDNIOKEGCFBJ-QWRGUYRKSA-N 1 0 293.367 1.465 20 10 CDCDRO Cc1cc(C[NH2+][C@H]2C(=O)NCC2(C)C)ccc1N(C)C ZINC000925433737 632147316 /nfs/dbraw/zinc/14/73/16/632147316.db2.gz FYIUWTHVUPOZNO-AWEZNQCLSA-N 1 0 275.396 1.675 20 10 CDCDRO CS(=O)(=O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921686261 633175791 /nfs/dbraw/zinc/17/57/91/633175791.db2.gz PVVJMZYLROBHJK-UHFFFAOYSA-N 1 0 283.393 1.536 20 10 CDCDRO COC[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921818502 633319216 /nfs/dbraw/zinc/31/92/16/633319216.db2.gz ORYSVIRTIQTFLC-OAHLLOKOSA-N 1 0 265.353 1.499 20 10 CDCDRO OC[C@H]1C[C@@H](O)CN1c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001170285892 1162332571 /nfs/dbraw/zinc/33/25/71/1162332571.db2.gz HJMDJTVQZYNFHI-KFWWJZLASA-N 1 0 262.353 1.043 20 10 CDCDRO COc1cccc(N)c1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170570836 1162956645 /nfs/dbraw/zinc/95/66/45/1162956645.db2.gz LNOCXNRIHPIUEK-BXKDBHETSA-N 1 0 251.330 1.066 20 10 CDCDRO COc1cc(O)c(CN(C)CC[NH+]2CCCC2)cc1OC ZINC000809736973 1163081330 /nfs/dbraw/zinc/08/13/30/1163081330.db2.gz ADEQXTUOADWKHJ-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CNCc1ccccc1O ZINC000228414527 1165607361 /nfs/dbraw/zinc/60/73/61/1165607361.db2.gz NSFVZUFUIVIRJD-ZDUSSCGKSA-N 1 0 252.358 1.185 20 10 CDCDRO CN(C)c1cc(F)c(CN2CCC[C@H]([NH3+])C2)cc1F ZINC001578423426 1171905413 /nfs/dbraw/zinc/90/54/13/1171905413.db2.gz WJBQZHOOSCXBEC-NSHDSACASA-N 1 0 269.339 1.954 20 10 CDCDRO COc1cc(C)c(CN[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(O)c1 ZINC001579144440 1172105221 /nfs/dbraw/zinc/10/52/21/1172105221.db2.gz GLDMUAVQMVMGTR-SWHYSGLUSA-N 1 0 262.353 1.692 20 10 CDCDRO COc1cccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1O ZINC001579277259 1172132397 /nfs/dbraw/zinc/13/23/97/1172132397.db2.gz ASAVYNDGUQQZGG-ZYHUDNBSSA-N 1 0 278.352 1.535 20 10 CDCDRO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(C)=O ZINC001754028795 1185431055 /nfs/dbraw/zinc/43/10/55/1185431055.db2.gz BOFKMZXBCNHERY-UHFFFAOYSA-N 1 0 264.369 1.962 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(F)ccc2O)CCCO1 ZINC000313345636 726132502 /nfs/dbraw/zinc/13/25/02/726132502.db2.gz RFNLDCLHYCNXBY-LBPRGKRZSA-N 1 0 254.305 1.081 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(C)cccc1O ZINC000876798864 726209240 /nfs/dbraw/zinc/20/92/40/726209240.db2.gz QUGQFZQRQRHFEU-NSHDSACASA-N 1 0 250.342 1.515 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(OC)cc1O ZINC000794388653 726229250 /nfs/dbraw/zinc/22/92/50/726229250.db2.gz ZANGOEBQSZIRKW-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCC(N)=O ZINC000819376757 726820526 /nfs/dbraw/zinc/82/05/26/726820526.db2.gz ITYXWUVDGILXSS-LBPRGKRZSA-N 1 0 263.385 1.457 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](CO)CCF)c1O ZINC000846098052 726009728 /nfs/dbraw/zinc/00/97/28/726009728.db2.gz YMJYRDRKSWBMAO-NSHDSACASA-N 1 0 257.305 1.601 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNC(=O)C2)c2c1c(F)ccc2O ZINC000840833081 726011817 /nfs/dbraw/zinc/01/18/17/726011817.db2.gz JHBLVTGJTHSOPN-FXPVBKGRSA-N 1 0 278.327 1.805 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000841881715 726014403 /nfs/dbraw/zinc/01/44/03/726014403.db2.gz CNUXNOAJYXLUBP-IAQYHMDHSA-N 1 0 290.411 1.850 20 10 CDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000921981806 726019797 /nfs/dbraw/zinc/01/97/97/726019797.db2.gz AGBQBSBERQLKFS-INIZCTEOSA-N 1 0 291.391 1.889 20 10 CDCDRO C[C@H](O)C1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877637509 726051337 /nfs/dbraw/zinc/05/13/37/726051337.db2.gz JOTMAOCKMFKWFH-ZDUSSCGKSA-N 1 0 290.407 1.651 20 10 CDCDRO COCCN(CC[NH3+])c1ccc(OC)c(OC)c1 ZINC000842472493 726102890 /nfs/dbraw/zinc/10/28/90/726102890.db2.gz BBBBSADPODCYQG-UHFFFAOYSA-N 1 0 254.330 1.115 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CO)CCF)cc1OC ZINC000846098375 726139283 /nfs/dbraw/zinc/13/92/83/726139283.db2.gz AWABCSREIYMILS-JTQLQIEISA-N 1 0 273.304 1.220 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1O ZINC000848896119 726195751 /nfs/dbraw/zinc/19/57/51/726195751.db2.gz SIQGEWAQJVAMSK-HZPDHXFCSA-N 1 0 290.407 1.907 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000825158417 726207721 /nfs/dbraw/zinc/20/77/21/726207721.db2.gz LCEDICMXMYSBDX-INIZCTEOSA-N 1 0 279.380 1.840 20 10 CDCDRO CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981146 726209220 /nfs/dbraw/zinc/20/92/20/726209220.db2.gz ZMBZMQCLSDIOMD-DTWKUNHWSA-N 1 0 253.302 1.688 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)C2CC2)cc1C ZINC000048396592 726214815 /nfs/dbraw/zinc/21/48/15/726214815.db2.gz NKUNCNKEHXPTNV-UHFFFAOYSA-N 1 0 262.353 1.619 20 10 CDCDRO COc1cc(O)c(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000817374134 726215324 /nfs/dbraw/zinc/21/53/24/726215324.db2.gz IDWZMPKRCXYTIC-ZDUSSCGKSA-N 1 0 294.395 1.935 20 10 CDCDRO OCCCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000192902698 726230389 /nfs/dbraw/zinc/23/03/89/726230389.db2.gz BMZSBTPKTFKJKF-UHFFFAOYSA-N 1 0 278.396 1.775 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c(O)c1 ZINC000779201371 726264630 /nfs/dbraw/zinc/26/46/30/726264630.db2.gz YUUDHCQLTHJVCM-BXUZGUMPSA-N 1 0 292.379 1.877 20 10 CDCDRO C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953833 726266015 /nfs/dbraw/zinc/26/60/15/726266015.db2.gz UXNNIEQACDQQFJ-DTWKUNHWSA-N 1 0 253.302 1.688 20 10 CDCDRO CCc1cccc(C[N@H+](CCOC)[C@@H](C)C(N)=O)c1O ZINC000848884874 726274521 /nfs/dbraw/zinc/27/45/21/726274521.db2.gz HLBHGBKMAGZYMT-NSHDSACASA-N 1 0 280.368 1.277 20 10 CDCDRO CCCN1C[C@H](C[NH2+]Cc2cc(OC)ccc2O)CC1=O ZINC000817411540 726328360 /nfs/dbraw/zinc/32/83/60/726328360.db2.gz UIZAMRHPAJNWMV-LBPRGKRZSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cc(O)c(CN[C@H](CC[NH3+])C(F)F)cc1OC ZINC000841073168 726346654 /nfs/dbraw/zinc/34/66/54/726346654.db2.gz FCGQHPNVIVCCQG-SECBINFHSA-N 1 0 290.310 1.482 20 10 CDCDRO CCOCCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876565541 726358435 /nfs/dbraw/zinc/35/84/35/726358435.db2.gz XRGOXNICUQMFLG-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO Cn1cc([C@H](O)C[NH2+]Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000790974326 726380477 /nfs/dbraw/zinc/38/04/77/726380477.db2.gz SSXLEXIHNOKNJX-GFCCVEGCSA-N 1 0 299.733 1.741 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834783260 726810190 /nfs/dbraw/zinc/81/01/90/726810190.db2.gz DABCKOVRADSIDL-KGLIPLIRSA-N 1 0 295.379 1.383 20 10 CDCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C[N@@H+]1C ZINC000775984364 726811510 /nfs/dbraw/zinc/81/15/10/726811510.db2.gz FUSZPIQYURAGBF-MNOVXSKESA-N 1 0 278.352 1.645 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1F ZINC000839196123 726815346 /nfs/dbraw/zinc/81/53/46/726815346.db2.gz RJHNVIBNBNWLLA-GFCCVEGCSA-N 1 0 279.359 1.508 20 10 CDCDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825814 726817845 /nfs/dbraw/zinc/81/78/45/726817845.db2.gz GZQBENCRHLQLMF-CQSZACIVSA-N 1 0 263.385 1.742 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850406936 726820976 /nfs/dbraw/zinc/82/09/76/726820976.db2.gz ZLXLQPWSSBVSGD-ZFWWWQNUSA-N 1 0 290.407 1.915 20 10 CDCDRO C[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000853244407 726894370 /nfs/dbraw/zinc/89/43/70/726894370.db2.gz LMHZTTMQSMCQPB-ZDUSSCGKSA-N 1 0 292.427 1.892 20 10 CDCDRO COc1cccc(O)c1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000843049160 726917130 /nfs/dbraw/zinc/91/71/30/726917130.db2.gz GZHYWHFLGXZGQM-QWRGUYRKSA-N 1 0 250.342 1.583 20 10 CDCDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832810458 726928080 /nfs/dbraw/zinc/92/80/80/726928080.db2.gz CZPSFTKOFYJVIM-ZDUSSCGKSA-N 1 0 266.366 1.622 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000876541515 726931646 /nfs/dbraw/zinc/93/16/46/726931646.db2.gz FWHYUVUZNCHGII-HNNXBMFYSA-N 1 0 290.407 1.997 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](C(=O)OC)C2)c1 ZINC000827812068 726934247 /nfs/dbraw/zinc/93/42/47/726934247.db2.gz BGCKJMRJADIRRI-UMSPYCQHSA-N 1 0 279.336 1.832 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c(O)c1 ZINC000877466220 726944717 /nfs/dbraw/zinc/94/47/17/726944717.db2.gz FGYKVQZFJSJWHD-YPMHNXCESA-N 1 0 251.326 1.282 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1F ZINC000840963673 726947398 /nfs/dbraw/zinc/94/73/98/726947398.db2.gz SGNYJZNDOHNCSX-HIFRSBDPSA-N 1 0 296.386 1.769 20 10 CDCDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(N)cc2)C1 ZINC000843490979 726950079 /nfs/dbraw/zinc/95/00/79/726950079.db2.gz PGOZQDRVRFMKJZ-GDBMZVCRSA-N 1 0 287.407 1.754 20 10 CDCDRO Cc1cccc(O)c1CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000877628968 726983458 /nfs/dbraw/zinc/98/34/58/726983458.db2.gz OIPHVEBAJXTLJC-UHFFFAOYSA-N 1 0 293.411 1.152 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597521 726989411 /nfs/dbraw/zinc/98/94/11/726989411.db2.gz MPJOGONMPVGTBD-QWRGUYRKSA-N 1 0 276.380 1.871 20 10 CDCDRO CCn1nccc1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000827956788 726992299 /nfs/dbraw/zinc/99/22/99/726992299.db2.gz QTJJHQISCAQHJE-UHFFFAOYSA-N 1 0 291.351 1.916 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)c(O)c1 ZINC000840884986 727018653 /nfs/dbraw/zinc/01/86/53/727018653.db2.gz UDDPKCWJXGFMJL-LLVKDONJSA-N 1 0 283.393 1.928 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000219117876 727049542 /nfs/dbraw/zinc/04/95/42/727049542.db2.gz WNMBHOMNUIBYCL-OAHLLOKOSA-N 1 0 294.395 1.010 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000876653377 727088258 /nfs/dbraw/zinc/08/82/58/727088258.db2.gz YTJCLVXLIQZASL-UONOGXRCSA-N 1 0 274.364 1.944 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000843056145 727124772 /nfs/dbraw/zinc/12/47/72/727124772.db2.gz UXKBXHXVYYTJIC-LLVKDONJSA-N 1 0 264.325 1.305 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N(C)OC)c1 ZINC000808743998 727138654 /nfs/dbraw/zinc/13/86/54/727138654.db2.gz SYZUUBSLGVRVDS-JTQLQIEISA-N 1 0 282.340 1.461 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000877120670 727155702 /nfs/dbraw/zinc/15/57/02/727155702.db2.gz LVGLFDHGHAEKSJ-JTQLQIEISA-N 1 0 257.355 1.223 20 10 CDCDRO CS(=O)(=O)[C@H]1CCN(Cc2cccc(F)c2O)C1 ZINC000800534874 727169152 /nfs/dbraw/zinc/16/91/52/727169152.db2.gz QGTRWQRXENSUFF-JTQLQIEISA-N 1 0 273.329 1.150 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1 ZINC000704339052 727187380 /nfs/dbraw/zinc/18/73/80/727187380.db2.gz IHGIBBXIFDQHJI-AAEUAGOBSA-N 1 0 262.353 1.972 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c(O)c1 ZINC000779201381 727228418 /nfs/dbraw/zinc/22/84/18/727228418.db2.gz YUUDHCQLTHJVCM-SMDDNHRTSA-N 1 0 292.379 1.877 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000137310435 727229715 /nfs/dbraw/zinc/22/97/15/727229715.db2.gz BVVWHOBZHWAQIU-HNNXBMFYSA-N 1 0 275.396 1.838 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]1(CCO)CCOC1 ZINC000840941271 727238815 /nfs/dbraw/zinc/23/88/15/727238815.db2.gz VFZDOFPNLTWGCW-MRXNPFEDSA-N 1 0 278.396 1.692 20 10 CDCDRO Cc1noc(C2C[NH+](Cc3ccc(C)cc3O)C2)n1 ZINC000877580334 727269513 /nfs/dbraw/zinc/26/95/13/727269513.db2.gz RCPMEXRXGAUEQT-UHFFFAOYSA-N 1 0 259.309 1.991 20 10 CDCDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(N)cc1 ZINC000843489719 727276281 /nfs/dbraw/zinc/27/62/81/727276281.db2.gz KZIZHRHJJDRZFC-HNNXBMFYSA-N 1 0 275.396 1.610 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])COC ZINC000828144366 727313236 /nfs/dbraw/zinc/31/32/36/727313236.db2.gz DHBXZDKZVYTOQB-LBPRGKRZSA-N 1 0 266.341 1.105 20 10 CDCDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000775986192 727317248 /nfs/dbraw/zinc/31/72/48/727317248.db2.gz POSRHYJHQFIUBI-GHMZBOCLSA-N 1 0 278.352 1.645 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000876734700 727322963 /nfs/dbraw/zinc/32/29/63/727322963.db2.gz IUKZRVZOWLXKLG-UHFFFAOYSA-N 1 0 286.379 1.756 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CCNC1=O)c1ccccc1O ZINC000808744431 727323290 /nfs/dbraw/zinc/32/32/90/727323290.db2.gz ZVKKISOVIDIHCG-GFCCVEGCSA-N 1 0 263.341 1.458 20 10 CDCDRO O[C@@H](C[NH2+]CCCSc1nccs1)Cn1cccn1 ZINC000819064406 727338652 /nfs/dbraw/zinc/33/86/52/727338652.db2.gz WVCSPOHNTBQRDX-NSHDSACASA-N 1 0 298.437 1.473 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000828666216 727346005 /nfs/dbraw/zinc/34/60/05/727346005.db2.gz BWCSXIAAENVEPG-NOZJJQNGSA-N 1 0 278.352 1.576 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000877786786 727355449 /nfs/dbraw/zinc/35/54/49/727355449.db2.gz YQTVLMQVPQSNBI-UHFFFAOYSA-N 1 0 298.770 1.935 20 10 CDCDRO C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N(C)C ZINC000877150413 727364035 /nfs/dbraw/zinc/36/40/35/727364035.db2.gz RFDFDTZSNJAZIM-CQSZACIVSA-N 1 0 291.439 1.687 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(C)ccc1O ZINC000840973536 727371224 /nfs/dbraw/zinc/37/12/24/727371224.db2.gz OPRWBNANQYZCCH-UHFFFAOYSA-N 1 0 271.382 1.615 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(O)c1 ZINC000824959451 727374299 /nfs/dbraw/zinc/37/42/99/727374299.db2.gz HFPVOWQTGLSVDX-GFCCVEGCSA-N 1 0 264.325 1.241 20 10 CDCDRO O=C(C[C@@H]1CCC[NH2+]1)NCCCSc1nccs1 ZINC000158526578 727374948 /nfs/dbraw/zinc/37/49/48/727374948.db2.gz UQWZMGHIRDLKNG-JTQLQIEISA-N 1 0 285.438 1.884 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000812775154 727392424 /nfs/dbraw/zinc/39/24/24/727392424.db2.gz HNNZGSKMDGGCTH-SNVBAGLBSA-N 1 0 287.306 1.850 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c1O ZINC000877675488 727404240 /nfs/dbraw/zinc/40/42/40/727404240.db2.gz RISPDXWYSWEKCW-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO CCOc1cccc(C[NH2+]C2(C(=O)NC)CCCC2)c1O ZINC000779176934 727417476 /nfs/dbraw/zinc/41/74/76/727417476.db2.gz UYLBANUECVZIAN-UHFFFAOYSA-N 1 0 292.379 1.939 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000775833489 727440485 /nfs/dbraw/zinc/44/04/85/727440485.db2.gz JXOKFGCHLCKCIA-XJKSGUPXSA-N 1 0 288.395 1.661 20 10 CDCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccn(C)c2)cc1 ZINC000863641432 727447735 /nfs/dbraw/zinc/44/77/35/727447735.db2.gz BYFQOBVCSFVAFN-MRXNPFEDSA-N 1 0 272.396 1.881 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC000840974506 727448831 /nfs/dbraw/zinc/44/88/31/727448831.db2.gz BYTGVPJXMZYSPO-GOEBONIOSA-N 1 0 287.359 1.721 20 10 CDCDRO CN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(N)cc1 ZINC000877074975 727465632 /nfs/dbraw/zinc/46/56/32/727465632.db2.gz WTXBXESLSZIALL-LBPRGKRZSA-N 1 0 287.285 1.774 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852882632 727470247 /nfs/dbraw/zinc/47/02/47/727470247.db2.gz NFDODTPHKQMNAP-HUUCEWRRSA-N 1 0 291.395 1.075 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1ccc(OCC)cc1O ZINC000814177932 727486278 /nfs/dbraw/zinc/48/62/78/727486278.db2.gz VQVOSOLNCXXBJH-UHFFFAOYSA-N 1 0 266.341 1.488 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C ZINC000090720547 727816632 /nfs/dbraw/zinc/81/66/32/727816632.db2.gz LLOXYNQZLBDAQZ-JQWIXIFHSA-N 1 0 278.352 1.693 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817280261 727819312 /nfs/dbraw/zinc/81/93/12/727819312.db2.gz BDLJKYOEIGOYOL-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1([NH3+])CCC1 ZINC000841827337 727827301 /nfs/dbraw/zinc/82/73/01/727827301.db2.gz LYDDPMHUZNVJKU-UHFFFAOYSA-N 1 0 290.411 1.742 20 10 CDCDRO C[C@@H]1C[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293388 727832439 /nfs/dbraw/zinc/83/24/39/727832439.db2.gz VUEHUULGVAHJRP-HONMWMINSA-N 1 0 261.369 1.525 20 10 CDCDRO C[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)N1CC[NH+](C)CC1 ZINC000886524889 727848559 /nfs/dbraw/zinc/84/85/59/727848559.db2.gz STLUZRJZKQLECJ-CHWSQXEVSA-N 1 0 295.402 1.818 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc(N)cc3)C[C@@H]21 ZINC000841955555 727884853 /nfs/dbraw/zinc/88/48/53/727884853.db2.gz GMBQRWYVCQDWBI-HIFRSBDPSA-N 1 0 288.395 1.157 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](NC(C)=O)C2)c1 ZINC000817412867 727895442 /nfs/dbraw/zinc/89/54/42/727895442.db2.gz PUYNDOGADBJTDK-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000824701999 727910323 /nfs/dbraw/zinc/91/03/23/727910323.db2.gz GCTHBYBXNGEXDD-NEPJUHHUSA-N 1 0 267.300 1.963 20 10 CDCDRO CO[C@@H](C[NH3+])CC(=O)NCCCSc1nccs1 ZINC000829528234 727988273 /nfs/dbraw/zinc/98/82/73/727988273.db2.gz NAJAQBKLJLTUCL-SECBINFHSA-N 1 0 289.426 1.105 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000775032425 727998275 /nfs/dbraw/zinc/99/82/75/727998275.db2.gz IARPIZDHHOPVIB-MRXNPFEDSA-N 1 0 277.364 1.907 20 10 CDCDRO Oc1ccc(F)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312442857 728006457 /nfs/dbraw/zinc/00/64/57/728006457.db2.gz XFHFONOZUSWNDP-CQSZACIVSA-N 1 0 279.359 1.011 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000877466429 728031995 /nfs/dbraw/zinc/03/19/95/728031995.db2.gz JNBSPXSYSYZADU-RYUDHWBXSA-N 1 0 251.326 1.282 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H]1CCCOC1 ZINC000886359608 728180219 /nfs/dbraw/zinc/18/02/19/728180219.db2.gz GMHBOXIVCOTMKL-ZIAGYGMSSA-N 1 0 295.379 1.932 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCC(=O)N(C)C)cc1Cl ZINC000825167746 728196577 /nfs/dbraw/zinc/19/65/77/728196577.db2.gz QWBXXZRUDYKYSY-UHFFFAOYSA-N 1 0 270.760 1.922 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000877397469 728214386 /nfs/dbraw/zinc/21/43/86/728214386.db2.gz IAWXIXGWTXTILT-OAHLLOKOSA-N 1 0 263.337 1.692 20 10 CDCDRO CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(C)cc1O ZINC000794815403 728260760 /nfs/dbraw/zinc/26/07/60/728260760.db2.gz KKNJLSHHRQGPBH-DZGCQCFKSA-N 1 0 265.353 1.893 20 10 CDCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000832178049 728272487 /nfs/dbraw/zinc/27/24/87/728272487.db2.gz LPGQHQPXOCRZCD-AWEZNQCLSA-N 1 0 266.341 1.535 20 10 CDCDRO Cc1nonc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700945668 728307796 /nfs/dbraw/zinc/30/77/96/728307796.db2.gz CIOJBPFYCYEACV-UHFFFAOYSA-N 1 0 258.325 1.790 20 10 CDCDRO CC1(C(=O)NCc2ccc(N3CCCC3)cc2)C[NH2+]C1 ZINC000827008001 728330190 /nfs/dbraw/zinc/33/01/90/728330190.db2.gz HPAUCGARKLRUTF-UHFFFAOYSA-N 1 0 273.380 1.513 20 10 CDCDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000775986194 728354999 /nfs/dbraw/zinc/35/49/99/728354999.db2.gz POSRHYJHQFIUBI-QWRGUYRKSA-N 1 0 278.352 1.645 20 10 CDCDRO C[NH2+]CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832703 728357054 /nfs/dbraw/zinc/35/70/54/728357054.db2.gz RBXVQCQFIMCPCZ-UHFFFAOYSA-N 1 0 274.368 1.081 20 10 CDCDRO CC[C@H]([NH2+]CCN1CCNC1=O)c1ccc(C)cc1O ZINC000886745409 728372708 /nfs/dbraw/zinc/37/27/08/728372708.db2.gz WIXDJPMGJGOJFP-ZDUSSCGKSA-N 1 0 277.368 1.767 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H](CO)COC)cc1C ZINC000873117740 1165510935 /nfs/dbraw/zinc/51/09/35/1165510935.db2.gz MXAHUJWOPCJQDF-CQSZACIVSA-N 1 0 267.369 1.881 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)c(O)c1 ZINC000877559134 1166057745 /nfs/dbraw/zinc/05/77/45/1166057745.db2.gz RXCGJNCCRATYJF-HNNXBMFYSA-N 1 0 278.396 1.637 20 10 CDCDRO CC(C)([NH3+])CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001575358538 1167645915 /nfs/dbraw/zinc/64/59/15/1167645915.db2.gz VNYHOQHSJYRXMH-UHFFFAOYSA-N 1 0 280.349 1.780 20 10 CDCDRO CN(C)S(=O)(=O)c1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173884826 912890113 /nfs/dbraw/zinc/89/01/13/912890113.db2.gz TZRMLVOUPQRRSV-UHFFFAOYSA-N 1 0 293.348 1.203 20 10 CDCDRO Nc1ccc(N(CCO)c2ccc(C[NH3+])cc2)cc1 ZINC001175968472 913867252 /nfs/dbraw/zinc/86/72/52/913867252.db2.gz BJUIDOMAIYDQQN-UHFFFAOYSA-N 1 0 257.337 1.858 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CCCO1 ZINC001140184762 895214204 /nfs/dbraw/zinc/21/42/04/895214204.db2.gz HFXGZTUENMUCDO-CQSZACIVSA-N 1 0 293.363 1.773 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000311001028 898614065 /nfs/dbraw/zinc/61/40/65/898614065.db2.gz XROPUHRJIOTBBQ-LLVKDONJSA-N 1 0 271.382 1.866 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(OC)c1 ZINC001141032245 899347563 /nfs/dbraw/zinc/34/75/63/899347563.db2.gz XDVUJNGSTKPWKO-MNOVXSKESA-N 1 0 281.352 1.612 20 10 CDCDRO [NH3+]Cc1ccnc(NCCc2cc(O)c(O)cc2O)c1 ZINC001168011339 905489348 /nfs/dbraw/zinc/48/93/48/905489348.db2.gz ZXXDYOXUPPCMRG-UHFFFAOYSA-N 1 0 275.308 1.312 20 10 CDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1ccc(O)c(O)c1)C2 ZINC001271832681 906872056 /nfs/dbraw/zinc/87/20/56/906872056.db2.gz BTQPMNJZWOWYPN-OLZOCXBDSA-N 1 0 290.363 1.193 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2ncc[nH]2)cc1C ZINC001126810479 909263639 /nfs/dbraw/zinc/26/36/39/909263639.db2.gz GWEHMYIPJCMZCH-UHFFFAOYSA-N 1 0 288.351 1.246 20 10 CDCDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922575385 921679500 /nfs/dbraw/zinc/67/95/00/921679500.db2.gz YFBCVTJOVXREQK-MRXNPFEDSA-N 1 0 289.423 1.441 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000061375552 912129195 /nfs/dbraw/zinc/12/91/95/912129195.db2.gz CCYKGUNLCFKVKK-UHFFFAOYSA-N 1 0 272.776 1.713 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069141254 915775522 /nfs/dbraw/zinc/77/55/22/915775522.db2.gz MKOTZRDHYHHYKR-GFCCVEGCSA-N 1 0 269.366 1.367 20 10 CDCDRO [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@H](O)C1 ZINC001144299220 931742499 /nfs/dbraw/zinc/74/24/99/931742499.db2.gz SAPSKQRLRGLUGN-MRVPVSSYSA-N 1 0 290.132 1.860 20 10 CDCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137832676 936417664 /nfs/dbraw/zinc/41/76/64/936417664.db2.gz DFUPOQYECNKKDB-AWEZNQCLSA-N 1 0 264.300 1.243 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1OC ZINC001138354292 936525040 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1 0 280.343 1.573 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](O)C2CCC2)c1O ZINC000316614711 941490535 /nfs/dbraw/zinc/49/05/35/941490535.db2.gz RCBCYYZJBPKNOF-LBPRGKRZSA-N 1 0 251.326 1.651 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277192796 942156230 /nfs/dbraw/zinc/15/62/30/942156230.db2.gz UAQVMLAUSNNXGW-IAQYHMDHSA-N 1 0 276.336 1.008 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1COC[C@H]1O ZINC000323161642 942211569 /nfs/dbraw/zinc/21/15/69/942211569.db2.gz JENYJBAVVXDNEL-MEWQQHAOSA-N 1 0 263.337 1.598 20 10 CDCDRO O=C(NCC(F)F)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001277440485 942574349 /nfs/dbraw/zinc/57/43/49/942574349.db2.gz ANGLTYBDWGGKHZ-XHDPSFHLSA-N 1 0 296.317 1.738 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1O ZINC001231594660 942938416 /nfs/dbraw/zinc/93/84/16/942938416.db2.gz MQTKYWLJIKPHPA-UHFFFAOYSA-N 1 0 291.395 1.936 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231633901 942949531 /nfs/dbraw/zinc/94/95/31/942949531.db2.gz CNCNNQCRQPEDQX-SNVBAGLBSA-N 1 0 295.335 1.491 20 10 CDCDRO CC[N@H+](CCn1ccnc1)Cc1cc(OC)c(O)cc1O ZINC001231639562 942955398 /nfs/dbraw/zinc/95/53/98/942955398.db2.gz UGPVUDYVILWQGX-UHFFFAOYSA-N 1 0 291.351 1.825 20 10 CDCDRO COc1cc(C[NH+]2CC3(CSC3)C2)c(O)cc1O ZINC001231639781 942956699 /nfs/dbraw/zinc/95/66/99/942956699.db2.gz KBPPEJSJDKVGBD-UHFFFAOYSA-N 1 0 267.350 1.655 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001231855708 943030502 /nfs/dbraw/zinc/03/05/02/943030502.db2.gz ZRMDMONWZNALHZ-GASCZTMLSA-N 1 0 289.423 1.755 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC2(CN(C)C2)C1 ZINC001231854327 943031097 /nfs/dbraw/zinc/03/10/97/943031097.db2.gz CRHIHJOGFKTKKC-UHFFFAOYSA-N 1 0 289.423 1.899 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@H]1O ZINC001232258484 943190725 /nfs/dbraw/zinc/19/07/25/943190725.db2.gz AAUKZEDMKKRDRB-AMIZOPFISA-N 1 0 271.744 1.954 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cn1 ZINC001232368893 943246028 /nfs/dbraw/zinc/24/60/28/943246028.db2.gz GSRPEZMYWGFPSQ-UHFFFAOYSA-N 1 0 255.321 1.928 20 10 CDCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232835097 943412770 /nfs/dbraw/zinc/41/27/70/943412770.db2.gz VRCRIDRVQIRNGU-RISCZKNCSA-N 1 0 264.369 1.803 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)ccc(F)c1F ZINC001233336743 943548667 /nfs/dbraw/zinc/54/86/67/943548667.db2.gz XUZDXMGXEODRJJ-UWVGGRQHSA-N 1 0 268.307 1.949 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1O ZINC001233483409 943592174 /nfs/dbraw/zinc/59/21/74/943592174.db2.gz YORWGVZAJKIESN-KOLCDFICSA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC001233484981 943592779 /nfs/dbraw/zinc/59/27/79/943592779.db2.gz DVSCJUFOBMHTMO-NSHDSACASA-N 1 0 264.325 1.083 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1O ZINC001233485803 943593849 /nfs/dbraw/zinc/59/38/49/943593849.db2.gz LCJZSMCWIGYHPH-NSHDSACASA-N 1 0 290.323 1.232 20 10 CDCDRO Cc1cc(CN2CCN[C@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC001235051575 944023856 /nfs/dbraw/zinc/02/38/56/944023856.db2.gz AFBNNNZAPSMVHX-KRWDZBQOSA-N 1 0 288.439 1.198 20 10 CDCDRO O=C(NCc1cccc(O)c1O)C12CCC[NH+](CCC1)C2 ZINC001263896304 944025103 /nfs/dbraw/zinc/02/51/03/944025103.db2.gz VLBWNKGOMXHJKN-UHFFFAOYSA-N 1 0 290.363 1.590 20 10 CDCDRO CCOc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235082701 944050149 /nfs/dbraw/zinc/05/01/49/944050149.db2.gz YJSSSUWNEMSZTC-ZIAGYGMSSA-N 1 0 262.353 1.727 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c(O)c1 ZINC000385316833 944072292 /nfs/dbraw/zinc/07/22/92/944072292.db2.gz GPVVXLUGEHPUCD-ZWNOBZJWSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1cc(C)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988916 944352465 /nfs/dbraw/zinc/35/24/65/944352465.db2.gz IUPBXRATRGZEJD-NHYWBVRUSA-N 1 0 262.353 1.632 20 10 CDCDRO Cc1cc(CN2CC[C@H]([NH3+])C2)c(O)cc1Br ZINC001236171807 944421788 /nfs/dbraw/zinc/42/17/88/944421788.db2.gz DFTMWXPSDAIGID-JTQLQIEISA-N 1 0 285.185 1.996 20 10 CDCDRO COC(=O)c1c(CN2CC[C@@H]([NH3+])C2)c2ccccc2n1C ZINC001236174587 944423849 /nfs/dbraw/zinc/42/38/49/944423849.db2.gz XEFJHIVPGZKHNJ-LLVKDONJSA-N 1 0 287.363 1.498 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)C2)cc1OC ZINC001236750711 944558134 /nfs/dbraw/zinc/55/81/34/944558134.db2.gz XKLSOXDEQBBPKT-OAHLLOKOSA-N 1 0 281.352 1.614 20 10 CDCDRO CCOc1ccc(CN(C)C[C@@H]([NH3+])CC)c(O)c1 ZINC001236883989 944602911 /nfs/dbraw/zinc/60/29/11/944602911.db2.gz KCEMZOBRADNBEZ-LBPRGKRZSA-N 1 0 252.358 1.960 20 10 CDCDRO CC(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001237046155 944646738 /nfs/dbraw/zinc/64/67/38/944646738.db2.gz QVTNNNDISAVHBV-UKRRQHHQSA-N 1 0 265.353 1.301 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001237485356 944811384 /nfs/dbraw/zinc/81/13/84/944811384.db2.gz OTWKHGINUWDBLS-GXTWGEPZSA-N 1 0 253.317 1.995 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CCc2c(cnn2C)C1 ZINC001237492075 944814034 /nfs/dbraw/zinc/81/40/34/944814034.db2.gz OFBAGWLSEREBTN-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(O)c(OC)c1 ZINC001237675655 944917752 /nfs/dbraw/zinc/91/77/52/944917752.db2.gz CIXTVKRARCLKLX-JQWIXIFHSA-N 1 0 281.352 1.755 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001238063736 945044407 /nfs/dbraw/zinc/04/44/07/945044407.db2.gz LXSNPYMFEDPFHG-HIFRSBDPSA-N 1 0 283.343 1.405 20 10 CDCDRO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001262603731 946758983 /nfs/dbraw/zinc/75/89/83/946758983.db2.gz SWIRIQQNZOFQAP-LLVKDONJSA-N 1 0 276.384 1.538 20 10 CDCDRO O=C1C[C@@H]2CC([NH2+]Cc3cccc(O)c3O)C[C@H]2C1 ZINC001254929886 947660154 /nfs/dbraw/zinc/66/01/54/947660154.db2.gz ZYNHDODUAYGXDH-QWRGUYRKSA-N 1 0 261.321 1.945 20 10 CDCDRO COc1ccc(N2CCN([C@H]3CC[N@H+](C)C3)CC2)c(C)c1 ZINC001255440861 947896662 /nfs/dbraw/zinc/89/66/62/947896662.db2.gz IDOOTSIJYMCDGK-HNNXBMFYSA-N 1 0 289.423 1.830 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001257029255 948485096 /nfs/dbraw/zinc/48/50/96/948485096.db2.gz FDCHUKDXPIINPN-VXGBXAGGSA-N 1 0 279.336 1.919 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)CN1 ZINC001246862557 948486957 /nfs/dbraw/zinc/48/69/57/948486957.db2.gz LFLJVWCAJRCRJA-STQMWFEESA-N 1 0 278.352 1.118 20 10 CDCDRO COC(=O)Cc1ccc(CN2CC(C)([NH+](C)C)C2)c(O)c1 ZINC001249207370 949458280 /nfs/dbraw/zinc/45/82/80/949458280.db2.gz FABOWRIYLIDIEK-UHFFFAOYSA-N 1 0 292.379 1.244 20 10 CDCDRO O=CN1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001328160327 955209809 /nfs/dbraw/zinc/20/98/09/955209809.db2.gz OTHQTAVUWWEIDI-UHFFFAOYSA-N 1 0 287.407 1.951 20 10 CDCDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308219387 956499012 /nfs/dbraw/zinc/49/90/12/956499012.db2.gz ZAFKVKLQRVTARZ-LBPRGKRZSA-N 1 0 293.386 1.992 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CCOC[C@H]1O ZINC001330697722 956574010 /nfs/dbraw/zinc/57/40/10/956574010.db2.gz LEIJAVVZKPJLEM-FMCLSXCISA-N 1 0 277.364 1.988 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2ccc(Cl)cc2O)CC1=O ZINC001308775844 956577896 /nfs/dbraw/zinc/57/78/96/956577896.db2.gz DRWKTRVCZYFDJG-LLVKDONJSA-N 1 0 268.744 1.756 20 10 CDCDRO COc1ccc(C[NH2+]C2(CN(C)C)CCC2)c(O)c1OC ZINC001333763579 958577238 /nfs/dbraw/zinc/57/72/38/958577238.db2.gz VLUQNSBLHVHHGI-UHFFFAOYSA-N 1 0 294.395 1.983 20 10 CDCDRO C[C@@H](NC(=O)NCc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001335535816 959871880 /nfs/dbraw/zinc/87/18/80/959871880.db2.gz AGTQCIAFKZDNAF-DGCLKSJQSA-N 1 0 276.384 1.456 20 10 CDCDRO CC1CC[NH+](CCNC(=O)NCc2ccc(N)cc2)CC1 ZINC001336225455 960262131 /nfs/dbraw/zinc/26/21/31/960262131.db2.gz OJTVCWAQJZECSL-UHFFFAOYSA-N 1 0 290.411 1.800 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C23CCC(CC2)[NH2+]3)cc1F ZINC001341677324 963508549 /nfs/dbraw/zinc/50/85/49/963508549.db2.gz LKGIHNFQMWSUFE-UHFFFAOYSA-N 1 0 291.370 1.793 20 10 CDCDRO Nc1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC001342023069 963613126 /nfs/dbraw/zinc/61/31/26/963613126.db2.gz RZQBLGPPWKGESP-OAHLLOKOSA-N 1 0 299.378 1.320 20 10 CDCDRO C[NH2+]C1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC001343542624 964030581 /nfs/dbraw/zinc/03/05/81/964030581.db2.gz MCUIKDBSLYUAKS-JTQLQIEISA-N 1 0 278.352 1.720 20 10 CDCDRO Nc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC001352788466 967482286 /nfs/dbraw/zinc/48/22/86/967482286.db2.gz PAJRCMAUDOJHCV-UHFFFAOYSA-N 1 0 269.352 1.381 20 10 CDCDRO COCCC[N@H+](C)CCNC(=O)NCc1ccc(N)cc1 ZINC001357241935 969555724 /nfs/dbraw/zinc/55/57/24/969555724.db2.gz LSXPEZLGVAFGKA-UHFFFAOYSA-N 1 0 294.399 1.036 20 10 CDCDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593265158 994570985 /nfs/dbraw/zinc/57/09/85/994570985.db2.gz QJUFFIAEPOCEMI-MNOVXSKESA-N 1 0 278.352 1.741 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[NH2+]CC1CC1 ZINC000178863319 342532790 /nfs/dbraw/zinc/53/27/90/342532790.db2.gz VCRIXTFYXKIEKU-UHFFFAOYSA-N 1 0 289.379 1.478 20 10 CDCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)COC)CC2)cc1 ZINC000006246867 341999127 /nfs/dbraw/zinc/99/91/27/341999127.db2.gz DKGAQRSATXLPDF-HNNXBMFYSA-N 1 0 294.395 1.215 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000274471134 365677942 /nfs/dbraw/zinc/67/79/42/365677942.db2.gz ZCXHBVLQGHKJBI-UHFFFAOYSA-N 1 0 293.455 1.937 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268875393 539052897 /nfs/dbraw/zinc/05/28/97/539052897.db2.gz ISQXFGSMGPHLMU-WBMJQRKESA-N 1 0 288.395 1.870 20 10 CDCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccccc1O ZINC000038013538 356953175 /nfs/dbraw/zinc/95/31/75/356953175.db2.gz OVCIJDCZRYOHNG-NSHDSACASA-N 1 0 250.342 1.787 20 10 CDCDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1O ZINC000192984708 358254325 /nfs/dbraw/zinc/25/43/25/358254325.db2.gz FXYMCYRORFQOAT-JTQLQIEISA-N 1 0 276.336 1.312 20 10 CDCDRO C[N@H+](CC(=O)NCc1cccnc1)Cc1ccccc1O ZINC000111235756 359197784 /nfs/dbraw/zinc/19/77/84/359197784.db2.gz WPIGMCQVDZOJKU-UHFFFAOYSA-N 1 0 285.347 1.535 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000563211216 360673727 /nfs/dbraw/zinc/67/37/27/360673727.db2.gz SJSZMGQWWFXUNI-YPMHNXCESA-N 1 0 289.379 1.476 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000281524104 363817009 /nfs/dbraw/zinc/81/70/09/363817009.db2.gz HVBIELBKWZEIII-GXTWGEPZSA-N 1 0 266.385 1.801 20 10 CDCDRO C[N@H+](CCC1OCCCO1)Cc1ccccc1O ZINC000267985030 363943624 /nfs/dbraw/zinc/94/36/24/363943624.db2.gz YXMLDYZYPVDUDQ-UHFFFAOYSA-N 1 0 251.326 1.977 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c1 ZINC000271377511 364982114 /nfs/dbraw/zinc/98/21/14/364982114.db2.gz RBOIQEVTBPTTIP-IAQYHMDHSA-N 1 0 265.353 1.994 20 10 CDCDRO CCCC[N@H+](CC(=O)NC(=O)NC)Cc1ccccc1O ZINC000282469221 367900705 /nfs/dbraw/zinc/90/07/05/367900705.db2.gz NQUVTAVQPXMUEZ-UHFFFAOYSA-N 1 0 293.367 1.450 20 10 CDCDRO CCCC[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1O ZINC000282554198 367940046 /nfs/dbraw/zinc/94/00/46/367940046.db2.gz XOJCZNGFLJUWGO-UHFFFAOYSA-N 1 0 293.367 1.579 20 10 CDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000368134343 369367202 /nfs/dbraw/zinc/36/72/02/369367202.db2.gz LVOYXZIWFCRXMY-VIFPVBQESA-N 1 0 268.744 1.743 20 10 CDCDRO Cc1cccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000294800858 371091717 /nfs/dbraw/zinc/09/17/17/371091717.db2.gz MXUOLOGKCBIXLB-UHFFFAOYSA-N 1 0 258.325 1.986 20 10 CDCDRO Nc1ccc(CCNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000294929931 371107405 /nfs/dbraw/zinc/10/74/05/371107405.db2.gz DCLLWWBFLVICQJ-CQSZACIVSA-N 1 0 261.369 1.460 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000245944237 376330892 /nfs/dbraw/zinc/33/08/92/376330892.db2.gz VFODKLMUQSGBOI-CVEARBPZSA-N 1 0 293.363 1.781 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCSCCCO)cc1 ZINC000105643836 390516298 /nfs/dbraw/zinc/51/62/98/390516298.db2.gz BETSTFLVIXDHCX-UHFFFAOYSA-N 1 0 268.426 1.958 20 10 CDCDRO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109773001 390648002 /nfs/dbraw/zinc/64/80/02/390648002.db2.gz YGXKNSDYFAYYRH-LBPRGKRZSA-N 1 0 264.369 1.985 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000229522281 390942516 /nfs/dbraw/zinc/94/25/16/390942516.db2.gz DMHKOMLGANUNBJ-UHFFFAOYSA-N 1 0 256.733 1.614 20 10 CDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000133048128 390901022 /nfs/dbraw/zinc/90/10/22/390901022.db2.gz IAQZEDRDNSQRQM-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000182022188 391230118 /nfs/dbraw/zinc/23/01/18/391230118.db2.gz OOXMELGGLSOLJJ-AWEZNQCLSA-N 1 0 278.396 1.990 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000182079356 391230174 /nfs/dbraw/zinc/23/01/74/391230174.db2.gz FBOQOXVGNHAPJH-UHFFFAOYSA-N 1 0 279.336 1.740 20 10 CDCDRO Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c(O)c1O ZINC000182504461 391236501 /nfs/dbraw/zinc/23/65/01/391236501.db2.gz WOYHNPZVSYDNMF-LLVKDONJSA-N 1 0 278.352 1.572 20 10 CDCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000183249751 391258012 /nfs/dbraw/zinc/25/80/12/391258012.db2.gz DNEXAOYXCXECHT-GFCCVEGCSA-N 1 0 280.343 1.879 20 10 CDCDRO COc1ccc(O)c(C[N@H+](CCO)C2CCOCC2)c1 ZINC000275687602 391350673 /nfs/dbraw/zinc/35/06/73/391350673.db2.gz AMFQJTAYTUQDHP-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](C)CS(C)(=O)=O)c1O ZINC000124814152 391403682 /nfs/dbraw/zinc/40/36/82/391403682.db2.gz JTYBAWOEVHQWCD-JTQLQIEISA-N 1 0 257.355 1.223 20 10 CDCDRO CCOc1cccc(C[NH2+]CCC(=O)N(C)C)c1O ZINC000037751523 173674654 /nfs/dbraw/zinc/67/46/54/173674654.db2.gz OEFAAFDNEBACBM-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCCN(Cc1cc(OC)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314832 176121018 /nfs/dbraw/zinc/12/10/18/176121018.db2.gz OVAIDFZMECXCAT-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000172070451 261069387 /nfs/dbraw/zinc/06/93/87/261069387.db2.gz MSMDMWXBUZLRDD-HNNXBMFYSA-N 1 0 266.385 1.630 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCOC2=O)c1 ZINC000182321782 261934169 /nfs/dbraw/zinc/93/41/69/261934169.db2.gz BVMKQUQGTAFLCZ-LLVKDONJSA-N 1 0 294.351 1.894 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1 ZINC000186510997 262096487 /nfs/dbraw/zinc/09/64/87/262096487.db2.gz NCJAQSSMIATUNA-NSHDSACASA-N 1 0 288.351 1.504 20 10 CDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000187067592 262378220 /nfs/dbraw/zinc/37/82/20/262378220.db2.gz PCNSHXFQKHPTLZ-SNVBAGLBSA-N 1 0 266.341 1.558 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+]2CCC1CC2 ZINC000367662813 267107641 /nfs/dbraw/zinc/10/76/41/267107641.db2.gz CCZHSVJJUTWRNC-UHFFFAOYSA-N 1 0 250.317 1.811 20 10 CDCDRO C/C=C/C[C@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000185815337 327846206 /nfs/dbraw/zinc/84/62/06/327846206.db2.gz FJIIKDDFXREEOC-AAOUONPWSA-N 1 0 251.326 1.818 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000563211215 327965521 /nfs/dbraw/zinc/96/55/21/327965521.db2.gz SJSZMGQWWFXUNI-WCQYABFASA-N 1 0 289.379 1.476 20 10 CDCDRO C[NH+](C)C(C)(C)CNC(=O)c1cccc(O)c1O ZINC000126348260 329591599 /nfs/dbraw/zinc/59/15/99/329591599.db2.gz FFCQOJHJIYFZID-UHFFFAOYSA-N 1 0 252.314 1.168 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2)c2c1c(F)ccc2O ZINC000530222003 333528710 /nfs/dbraw/zinc/52/87/10/333528710.db2.gz FLKUPMQSUGYZLY-FOGDFJRCSA-N 1 0 280.343 1.658 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000136195763 334149408 /nfs/dbraw/zinc/14/94/08/334149408.db2.gz MNMJTQHHFWMVKO-INIZCTEOSA-N 1 0 275.396 1.901 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000790757957 1162168761 /nfs/dbraw/zinc/16/87/61/1162168761.db2.gz ALORFRWRJKTBKX-KBPBESRZSA-N 1 0 297.395 1.765 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278460977 520895385 /nfs/dbraw/zinc/89/53/85/520895385.db2.gz ZVUCBPKWHATXGY-HUUCEWRRSA-N 1 0 264.369 1.070 20 10 CDCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000278460523 521653052 /nfs/dbraw/zinc/65/30/52/521653052.db2.gz MMQJMICFDIJKDB-FFKNIBCLSA-N 1 0 295.379 1.981 20 10 CDCDRO C[NH2+]CCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000237185988 521989244 /nfs/dbraw/zinc/98/92/44/521989244.db2.gz STRJAKJSRHBXGS-UHFFFAOYSA-N 1 0 291.395 1.139 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000070255212 522199912 /nfs/dbraw/zinc/19/99/12/522199912.db2.gz ZCULHKNQHDUZJP-HNNXBMFYSA-N 1 0 287.407 1.759 20 10 CDCDRO COc1ccc(C[NH2+]CC(=O)NCC(F)F)cc1C ZINC000280247209 524069194 /nfs/dbraw/zinc/06/91/94/524069194.db2.gz IRXNQKXZAUVBJB-UHFFFAOYSA-N 1 0 272.295 1.475 20 10 CDCDRO COc1ccc(C[NH2+]CC2(O)CCOCC2)cc1C ZINC000112717245 524069797 /nfs/dbraw/zinc/06/97/97/524069797.db2.gz BGKVGVCVSYZGAJ-UHFFFAOYSA-N 1 0 265.353 1.635 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1O ZINC000228094670 524431913 /nfs/dbraw/zinc/43/19/13/524431913.db2.gz PQGPFXGZAAQNJY-BXUZGUMPSA-N 1 0 251.326 1.330 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291375096 524737197 /nfs/dbraw/zinc/73/71/97/524737197.db2.gz ZSLLTRZKZBXIKU-LLVKDONJSA-N 1 0 287.306 1.850 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1 ZINC000290217278 524747355 /nfs/dbraw/zinc/74/73/55/524747355.db2.gz RGKHIZBJFVOCAU-RYUDHWBXSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1 ZINC000291605098 525343514 /nfs/dbraw/zinc/34/35/14/525343514.db2.gz QRPLXJCVKXLWPH-GDBMZVCRSA-N 1 0 290.407 1.996 20 10 CDCDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccccc1O ZINC000280923890 525402761 /nfs/dbraw/zinc/40/27/61/525402761.db2.gz RHGLFDDILWXPAQ-YNEHKIRRSA-N 1 0 265.353 1.688 20 10 CDCDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825948 525582226 /nfs/dbraw/zinc/58/22/26/525582226.db2.gz YELVXHLEWOKXMV-ZDUSSCGKSA-N 1 0 281.425 1.449 20 10 CDCDRO CSC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000217857818 525718127 /nfs/dbraw/zinc/71/81/27/525718127.db2.gz BTDNNMWGMDSIFK-CQSZACIVSA-N 1 0 267.394 1.825 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000262627433 527209391 /nfs/dbraw/zinc/20/93/91/527209391.db2.gz MENCRLWJAMNRGP-JSGCOSHPSA-N 1 0 261.369 1.445 20 10 CDCDRO CCC[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1O ZINC000727831019 574600663 /nfs/dbraw/zinc/60/06/63/574600663.db2.gz CMVMWXWFMODGLN-UHFFFAOYSA-N 1 0 292.379 1.463 20 10 CDCDRO COCCC[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732283186 575086848 /nfs/dbraw/zinc/08/68/48/575086848.db2.gz RJQPCQPYKRWXRF-UHFFFAOYSA-N 1 0 298.408 1.684 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(OCCO)CC2)c(O)c1 ZINC000769537437 575357605 /nfs/dbraw/zinc/35/76/05/575357605.db2.gz KICHVJOEZPEOEF-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000773740986 575837191 /nfs/dbraw/zinc/83/71/91/575837191.db2.gz RJELDMGOVZUGSP-WCQYABFASA-N 1 0 292.379 1.629 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CCO)CCCO)cc1 ZINC000773754462 575837863 /nfs/dbraw/zinc/83/78/63/575837863.db2.gz FTPMIBTUHUHMNO-UHFFFAOYSA-N 1 0 266.385 1.319 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766028881 576073212 /nfs/dbraw/zinc/07/32/12/576073212.db2.gz IEVGOVGDXFMHPI-GFCCVEGCSA-N 1 0 263.385 1.675 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000768193269 576263586 /nfs/dbraw/zinc/26/35/86/576263586.db2.gz ZUYGEUQQGHHCAZ-INIZCTEOSA-N 1 0 290.407 1.997 20 10 CDCDRO COC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768442024 576283464 /nfs/dbraw/zinc/28/34/64/576283464.db2.gz NRGZRUMROQBEEP-AWEZNQCLSA-N 1 0 279.336 1.429 20 10 CDCDRO COc1cccc(C[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000744449120 576681336 /nfs/dbraw/zinc/68/13/36/576681336.db2.gz AQCUFXIKNBTRRT-LBPRGKRZSA-N 1 0 264.369 1.832 20 10 CDCDRO CN(C)c1ccc(CNC(=S)NCC[NH+](C)C)cc1F ZINC000746685548 576789114 /nfs/dbraw/zinc/78/91/14/576789114.db2.gz UFMUARLZRMFKJQ-UHFFFAOYSA-N 1 0 298.431 1.417 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]Cc1cccc(F)n1)OCO2 ZINC000747939336 576889660 /nfs/dbraw/zinc/88/96/60/576889660.db2.gz ZBUTXONORZEVMN-UHFFFAOYSA-N 1 0 276.267 1.945 20 10 CDCDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000748243306 576902695 /nfs/dbraw/zinc/90/26/95/576902695.db2.gz XNRSLCYQDINWHW-OAHLLOKOSA-N 1 0 295.335 1.942 20 10 CDCDRO CO[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254957 617391577 /nfs/dbraw/zinc/39/15/77/617391577.db2.gz KUMTWZRNRZJUSZ-WFASDCNBSA-N 1 0 293.411 1.506 20 10 CDCDRO CCN(CC)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045693722 617594386 /nfs/dbraw/zinc/59/43/86/617594386.db2.gz CITCVYFLXZUNBD-NSHDSACASA-N 1 0 280.368 1.941 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(O)c1OC ZINC000893959565 618225256 /nfs/dbraw/zinc/22/52/56/618225256.db2.gz KWQKGFJRIWVFIQ-JQWIXIFHSA-N 1 0 281.352 1.660 20 10 CDCDRO CCOc1cccc(CN[C@H]2CCC[NH2+]C2)c1O ZINC000841043796 618677983 /nfs/dbraw/zinc/67/79/83/618677983.db2.gz WIFBJJPXZFMJLR-LBPRGKRZSA-N 1 0 250.342 1.633 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCSC[C@H]2CO)c1O ZINC000877780125 618706780 /nfs/dbraw/zinc/70/67/80/618706780.db2.gz KTPMPTRQWNHYSY-GFCCVEGCSA-N 1 0 253.367 1.610 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCOC2)c1O ZINC000894229054 618738297 /nfs/dbraw/zinc/73/82/97/618738297.db2.gz FFUPISPTNBNMOJ-GFCCVEGCSA-N 1 0 251.326 1.978 20 10 CDCDRO CC(C)([NH3+])CNC(=O)NCCCSc1nccs1 ZINC000841858079 618838878 /nfs/dbraw/zinc/83/88/78/618838878.db2.gz SRWOURVFWXPPNI-UHFFFAOYSA-N 1 0 288.442 1.662 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H](C)O ZINC000894736272 619034020 /nfs/dbraw/zinc/03/40/20/619034020.db2.gz SPPRQYCDAVABON-GXSJLCMTSA-N 1 0 269.341 1.658 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000894781222 619057639 /nfs/dbraw/zinc/05/76/39/619057639.db2.gz CTAZTFHTGZQVIE-AWEZNQCLSA-N 1 0 297.395 1.927 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000895006948 619204985 /nfs/dbraw/zinc/20/49/85/619204985.db2.gz CZPODEXASFLLMP-LLVKDONJSA-N 1 0 288.351 1.817 20 10 CDCDRO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c(O)c1 ZINC000895123566 619317701 /nfs/dbraw/zinc/31/77/01/619317701.db2.gz YMDXJKMWBXPYIQ-SDDRHHMPSA-N 1 0 262.353 1.798 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000897683567 621071552 /nfs/dbraw/zinc/07/15/52/621071552.db2.gz DVPJXNFIGTUVAH-LRDDRELGSA-N 1 0 294.370 1.475 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@H+](C)C1CCC1 ZINC000907275020 627578899 /nfs/dbraw/zinc/57/88/99/627578899.db2.gz VCBBXKLWWDBTSE-NSHDSACASA-N 1 0 292.379 1.629 20 10 CDCDRO CCC[C@H](O)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911668245 629387819 /nfs/dbraw/zinc/38/78/19/629387819.db2.gz XFKFMYMMIZDNMB-KBPBESRZSA-N 1 0 279.384 1.030 20 10 CDCDRO CN(Cc1ccccc1O)C(=S)NCC[NH+](C)C ZINC000917581478 632247618 /nfs/dbraw/zinc/24/76/18/632247618.db2.gz GWLHWGJXGOGNJU-UHFFFAOYSA-N 1 0 267.398 1.260 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[NH2+]C2CC2)c1 ZINC000237208461 1160207952 /nfs/dbraw/zinc/20/79/52/1160207952.db2.gz FULKGIREVSOSRM-VIFPVBQESA-N 1 0 264.325 1.330 20 10 CDCDRO COC(=O)C(C)(C)C[NH2+]Cc1c(C)cccc1O ZINC000876879146 1165932634 /nfs/dbraw/zinc/93/26/34/1165932634.db2.gz HLYAJSCQVCFYIA-UHFFFAOYSA-N 1 0 251.326 1.989 20 10 CDCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001580402434 1172425660 /nfs/dbraw/zinc/42/56/60/1172425660.db2.gz ZHUZUSJZLPEHMF-FIXISWKDSA-N 1 0 258.321 1.362 20 10 CDCDRO COc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000156073481 1178172026 /nfs/dbraw/zinc/17/20/26/1178172026.db2.gz YFJYYJWNTBFRHU-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000323526067 1186804897 /nfs/dbraw/zinc/80/48/97/1186804897.db2.gz JBQDXXNVYSHKLQ-LSDHHAIUSA-N 1 0 262.353 1.136 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC000391492842 1187277623 /nfs/dbraw/zinc/27/76/23/1187277623.db2.gz QHCIZFWDDKAHAZ-HNNXBMFYSA-N 1 0 287.407 1.997 20 10 CDCDRO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648708 728775521 /nfs/dbraw/zinc/77/55/21/728775521.db2.gz AFRAJQLTCFSRLB-CHWSQXEVSA-N 1 0 294.395 1.974 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CNCCOC1 ZINC000925689855 728777042 /nfs/dbraw/zinc/77/70/42/728777042.db2.gz ITUVBGJBMZRQNY-GOEBONIOSA-N 1 0 291.439 1.570 20 10 CDCDRO COCC[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000775032418 728807785 /nfs/dbraw/zinc/80/77/85/728807785.db2.gz IARPIZDHHOPVIB-INIZCTEOSA-N 1 0 277.364 1.907 20 10 CDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000782387027 728851209 /nfs/dbraw/zinc/85/12/09/728851209.db2.gz QOJVKPSCCGNTFK-OAHLLOKOSA-N 1 0 277.364 1.499 20 10 CDCDRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939342 728877864 /nfs/dbraw/zinc/87/78/64/728877864.db2.gz BBWLIELJNBHSMN-ZOWXZIJZSA-N 1 0 265.401 1.765 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCCNC1=O ZINC000840929657 728919679 /nfs/dbraw/zinc/91/96/79/728919679.db2.gz ULMDZYVXIPCHNS-HNNXBMFYSA-N 1 0 275.396 1.819 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]([NH3+])COC)cc1 ZINC000826019480 728963588 /nfs/dbraw/zinc/96/35/88/728963588.db2.gz GNUUWYAHEVSKRN-HNNXBMFYSA-N 1 0 293.411 1.465 20 10 CDCDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000812310815 728927143 /nfs/dbraw/zinc/92/71/43/728927143.db2.gz OYUQFDUTHCGRMX-SECBINFHSA-N 1 0 256.371 1.912 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779522575 728941321 /nfs/dbraw/zinc/94/13/21/728941321.db2.gz UVWDZBAVHYARLX-RYWCDNDXSA-N 1 0 290.363 1.521 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000124578706 728382351 /nfs/dbraw/zinc/38/23/51/728382351.db2.gz RQWLCAOKCUBXAQ-CYBMUJFWSA-N 1 0 260.337 1.507 20 10 CDCDRO CCOc1cccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1O ZINC000843065565 728386138 /nfs/dbraw/zinc/38/61/38/728386138.db2.gz NQKVEHWQVGDUQN-TXEJJXNPSA-N 1 0 264.369 1.973 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1O ZINC000228356347 728431201 /nfs/dbraw/zinc/43/12/01/728431201.db2.gz VDCHGXIYMQENDN-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1C[NH2+]C1 ZINC000841829231 728461555 /nfs/dbraw/zinc/46/15/55/728461555.db2.gz YRGFSVDDVMYZNS-UHFFFAOYSA-N 1 0 276.384 1.080 20 10 CDCDRO CCS(=O)(=O)NCCC[NH2+]Cc1ccc(C)cc1O ZINC000876991597 728517211 /nfs/dbraw/zinc/51/72/11/728517211.db2.gz RCEUKIRRUAZPKX-UHFFFAOYSA-N 1 0 286.397 1.120 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841656337 728539710 /nfs/dbraw/zinc/53/97/10/728539710.db2.gz ZUOBJPQCGAQFDK-LBPRGKRZSA-N 1 0 264.373 1.289 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000827359097 728544179 /nfs/dbraw/zinc/54/41/79/728544179.db2.gz INSYJXGDUFUXMV-LBPRGKRZSA-N 1 0 265.353 1.899 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000841857736 728553739 /nfs/dbraw/zinc/55/37/39/728553739.db2.gz WPDMOMRELNADAM-KRWDZBQOSA-N 1 0 295.386 1.984 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)C[NH3+])cc1 ZINC000846697333 728573309 /nfs/dbraw/zinc/57/33/09/728573309.db2.gz OBONDFAZCNTBNY-LBPRGKRZSA-N 1 0 279.384 1.185 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1O ZINC000827952551 728576605 /nfs/dbraw/zinc/57/66/05/728576605.db2.gz XEEDRGCFMJYNJR-NQBHXWOUSA-N 1 0 262.353 1.910 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843047328 728957274 /nfs/dbraw/zinc/95/72/74/728957274.db2.gz RBIDFZQTNIPKNH-ZDUSSCGKSA-N 1 0 279.359 1.195 20 10 CDCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000830360742 729018022 /nfs/dbraw/zinc/01/80/22/729018022.db2.gz SOKULXIXVZUVLA-WFASDCNBSA-N 1 0 275.396 1.610 20 10 CDCDRO O=C1C[C@H](C[NH2+]Cc2c(O)cccc2Br)CN1 ZINC000706881360 729078384 /nfs/dbraw/zinc/07/83/84/729078384.db2.gz RCQHHXWACNHZNM-MRVPVSSYSA-N 1 0 299.168 1.380 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)c1 ZINC000858577845 729081555 /nfs/dbraw/zinc/08/15/55/729081555.db2.gz FQATZQWKAYKVSX-UWVGGRQHSA-N 1 0 282.340 1.460 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1O ZINC000931660817 729164794 /nfs/dbraw/zinc/16/47/94/729164794.db2.gz SXHGLQWNDRGJCC-ZDUSSCGKSA-N 1 0 294.326 1.348 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000841655221 729208466 /nfs/dbraw/zinc/20/84/66/729208466.db2.gz QWLPZMYPBUETSV-UONOGXRCSA-N 1 0 290.411 1.679 20 10 CDCDRO C[C@H](C[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817966242 729221469 /nfs/dbraw/zinc/22/14/69/729221469.db2.gz JOQBGXUHCWVDMT-NEPJUHHUSA-N 1 0 281.375 1.660 20 10 CDCDRO C[C@H](NC(=O)N1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841883218 729266182 /nfs/dbraw/zinc/26/61/82/729266182.db2.gz SEYJOJFQGVQCOP-LBPRGKRZSA-N 1 0 276.384 1.428 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000877489941 729285296 /nfs/dbraw/zinc/28/52/96/729285296.db2.gz RCOSPYBTVVEHNL-SMDDNHRTSA-N 1 0 251.326 1.330 20 10 CDCDRO CN(C[C@H]1CCCS(=O)(=O)C1)c1ccc(N)cc1 ZINC000863558401 729306250 /nfs/dbraw/zinc/30/62/50/729306250.db2.gz HDSDOLYFHVBDIO-LLVKDONJSA-N 1 0 268.382 1.530 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000843051767 729306961 /nfs/dbraw/zinc/30/69/61/729306961.db2.gz LNFNBNGTZMRYDJ-YPMHNXCESA-N 1 0 294.395 1.969 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000828666758 729326544 /nfs/dbraw/zinc/32/65/44/729326544.db2.gz IFMAQEXJKVZNAD-ZJUUUORDSA-N 1 0 278.352 1.719 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1O ZINC000848909682 729332639 /nfs/dbraw/zinc/33/26/39/729332639.db2.gz ZIWBKSJIWOKAHD-ZWNOBZJWSA-N 1 0 262.353 1.569 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC000839170579 729387152 /nfs/dbraw/zinc/38/71/52/729387152.db2.gz OLFSXHLUCVRAAD-NVXWUHKLSA-N 1 0 290.407 1.462 20 10 CDCDRO CC[NH2+]CCNC1CCN(c2ccc(OC)cc2)CC1 ZINC000841034969 729390700 /nfs/dbraw/zinc/39/07/00/729390700.db2.gz FMUPFIHKCBXYRC-UHFFFAOYSA-N 1 0 277.412 1.863 20 10 CDCDRO CCN1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000826904107 729455459 /nfs/dbraw/zinc/45/54/59/729455459.db2.gz WEVBOIIKKAIARY-UHFFFAOYSA-N 1 0 254.355 1.622 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843116219 729473554 /nfs/dbraw/zinc/47/35/54/729473554.db2.gz VWUPRWCIVNWRHO-AWEZNQCLSA-N 1 0 295.339 1.480 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922199194 729477074 /nfs/dbraw/zinc/47/70/74/729477074.db2.gz ZCXQDHOEAHMWHB-UHFFFAOYSA-N 1 0 297.420 1.926 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1 ZINC000886225832 729477487 /nfs/dbraw/zinc/47/74/87/729477487.db2.gz CIDIRKCLKDEAGU-KGLIPLIRSA-N 1 0 265.353 1.720 20 10 CDCDRO COc1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)c(O)c1 ZINC000832177790 729507626 /nfs/dbraw/zinc/50/76/26/729507626.db2.gz GQDUXXQWSRGZNU-AWEZNQCLSA-N 1 0 264.325 1.017 20 10 CDCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876809393 729568991 /nfs/dbraw/zinc/56/89/91/729568991.db2.gz FVAYDNYNOWETRS-OAHLLOKOSA-N 1 0 293.363 1.447 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000232561777 729610181 /nfs/dbraw/zinc/61/01/81/729610181.db2.gz QYIRWYJQIRVONL-GFCCVEGCSA-N 1 0 252.289 1.242 20 10 CDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000831202847 729621274 /nfs/dbraw/zinc/62/12/74/729621274.db2.gz NIBCDIVNLNNFQN-GHMZBOCLSA-N 1 0 265.357 1.659 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840974597 729635724 /nfs/dbraw/zinc/63/57/24/729635724.db2.gz LISBYFHNSFUKBD-UHFFFAOYSA-N 1 0 298.452 1.975 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CO)CC(C)C)cc1OC ZINC000776048604 729639592 /nfs/dbraw/zinc/63/95/92/729639592.db2.gz PIMFOJPLEOTRML-LBPRGKRZSA-N 1 0 283.368 1.906 20 10 CDCDRO CC(C)C(=O)NCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858087099 729662278 /nfs/dbraw/zinc/66/22/78/729662278.db2.gz JPFPDWOKVLAFPN-UHFFFAOYSA-N 1 0 299.365 1.893 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000886516791 729668133 /nfs/dbraw/zinc/66/81/33/729668133.db2.gz YIJCKEYBEWTMBG-HUUCEWRRSA-N 1 0 264.369 1.334 20 10 CDCDRO CC[N@H+](CC(=O)NC)Cc1cc(Cl)ccc1O ZINC000132612651 729675415 /nfs/dbraw/zinc/67/54/15/729675415.db2.gz ADTQXTVMBDOLGZ-UHFFFAOYSA-N 1 0 256.733 1.614 20 10 CDCDRO CC(C)COC[C@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923285815 729703899 /nfs/dbraw/zinc/70/38/99/729703899.db2.gz FJBYVHQDJDKHIF-MRXNPFEDSA-N 1 0 292.423 1.931 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000876625873 729708001 /nfs/dbraw/zinc/70/80/01/729708001.db2.gz HYUAYZQDDKYEHJ-HNNXBMFYSA-N 1 0 290.407 1.997 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000794948372 729713932 /nfs/dbraw/zinc/71/39/32/729713932.db2.gz JQVVOUZVETXVIH-GOEBONIOSA-N 1 0 259.397 1.889 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(OC)ccc3O)C[C@@H]21 ZINC000814172861 729716496 /nfs/dbraw/zinc/71/64/96/729716496.db2.gz BVXNYTLZHUGASD-IMRBUKKESA-N 1 0 277.320 1.252 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)cn2)c1 ZINC000851899914 729719354 /nfs/dbraw/zinc/71/93/54/729719354.db2.gz KCCZGUARINMMNL-JTQLQIEISA-N 1 0 261.325 1.985 20 10 CDCDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000922200308 729720787 /nfs/dbraw/zinc/72/07/87/729720787.db2.gz CAAUGJAFZGUTGI-ZDUSSCGKSA-N 1 0 288.347 1.249 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000709344051 729731059 /nfs/dbraw/zinc/73/10/59/729731059.db2.gz LJKRUNMRCVCJOW-CQSZACIVSA-N 1 0 274.364 1.761 20 10 CDCDRO C[C@H](CO)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528083 729743446 /nfs/dbraw/zinc/74/34/46/729743446.db2.gz ZNYHBSACCMQRPQ-CYBMUJFWSA-N 1 0 278.396 1.460 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000817969587 729804329 /nfs/dbraw/zinc/80/43/29/729804329.db2.gz XVNCDPZIMIPTTI-DGCLKSJQSA-N 1 0 292.379 1.972 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(CO)(CO)CC2)c1O ZINC000877798615 729816161 /nfs/dbraw/zinc/81/61/61/729816161.db2.gz ZZWBSXYFRQQQKV-UHFFFAOYSA-N 1 0 265.353 1.267 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000827913942 729818098 /nfs/dbraw/zinc/81/80/98/729818098.db2.gz TWTCAFCVQISYJN-LLVKDONJSA-N 1 0 261.369 1.423 20 10 CDCDRO CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001022367607 729820955 /nfs/dbraw/zinc/82/09/55/729820955.db2.gz GGOKLDDHRLBCEA-TXEJJXNPSA-N 1 0 293.367 1.359 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000391520033 729829754 /nfs/dbraw/zinc/82/97/54/729829754.db2.gz CDJPURKIGMJHMZ-SECBINFHSA-N 1 0 268.744 1.756 20 10 CDCDRO COCCN(C)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846145922 729860063 /nfs/dbraw/zinc/86/00/63/729860063.db2.gz OUHQTTVGKPDBQE-GFCCVEGCSA-N 1 0 282.384 1.630 20 10 CDCDRO CC[NH2+]CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843484253 729865941 /nfs/dbraw/zinc/86/59/41/729865941.db2.gz IZASNMRWRZMTIL-AWEZNQCLSA-N 1 0 292.379 1.509 20 10 CDCDRO C[N@H+](CCC(N)=O)Cc1ccc(Br)cc1O ZINC000701193505 729875362 /nfs/dbraw/zinc/87/53/62/729875362.db2.gz RDQYSBWOWVCNRO-UHFFFAOYSA-N 1 0 287.157 1.462 20 10 CDCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)on1 ZINC000832286414 729879934 /nfs/dbraw/zinc/87/99/34/729879934.db2.gz ZUIPLKPXSJXOAQ-ZDUSSCGKSA-N 1 0 288.351 1.479 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2COCC[C@H]2O)cc1F ZINC000864053407 729886231 /nfs/dbraw/zinc/88/62/31/729886231.db2.gz JPWUZMOHMLSKRW-TZMCWYRMSA-N 1 0 286.322 1.270 20 10 CDCDRO CN(C)c1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1F ZINC000843071281 729889764 /nfs/dbraw/zinc/88/97/64/729889764.db2.gz ZYIDHNGGSXBYKA-LBPRGKRZSA-N 1 0 267.348 1.051 20 10 CDCDRO CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)[C@H](C)[NH3+] ZINC000818545150 729944580 /nfs/dbraw/zinc/94/45/80/729944580.db2.gz MBOWFKKEASZUPG-FZMZJTMJSA-N 1 0 263.385 1.547 20 10 CDCDRO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(N)cc1 ZINC000841295967 729946806 /nfs/dbraw/zinc/94/68/06/729946806.db2.gz LHLGWOYDJAWDGC-UHFFFAOYSA-N 1 0 294.399 1.749 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccnn2C)cc1 ZINC000844400936 729951109 /nfs/dbraw/zinc/95/11/09/729951109.db2.gz IQODPJSHQFFRKE-UHFFFAOYSA-N 1 0 288.395 1.997 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N(C)C)cc1 ZINC000841882383 729973170 /nfs/dbraw/zinc/97/31/70/729973170.db2.gz YGVJFWPAJXWAFB-BSLXNSKLSA-N 1 0 288.395 1.331 20 10 CDCDRO Cc1cc(C(=O)N2CCN(C)CC2)c(C)n1-c1ccccn1 ZINC000131638366 729975232 /nfs/dbraw/zinc/97/52/32/729975232.db2.gz LYJNBCZJZJNKRI-UHFFFAOYSA-N 1 0 298.390 1.877 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)NCCCSc1nccs1 ZINC000841857931 729975478 /nfs/dbraw/zinc/97/54/78/729975478.db2.gz RMVVDSHPRRVAGW-VIFPVBQESA-N 1 0 288.442 1.662 20 10 CDCDRO OC[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000886670232 729978918 /nfs/dbraw/zinc/97/89/18/729978918.db2.gz LDWFDWDVSJEDNB-BFHYXJOUSA-N 1 0 277.364 1.899 20 10 CDCDRO CN1CCCc2cc(C[NH2+][C@@H]3C(=O)NCC3(C)C)ccc21 ZINC000924869614 729978930 /nfs/dbraw/zinc/97/89/30/729978930.db2.gz HXHUBYPPZGOXIW-OAHLLOKOSA-N 1 0 287.407 1.683 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2c(O)cccc2OC)CC1=O ZINC000824887030 729979745 /nfs/dbraw/zinc/97/97/45/729979745.db2.gz ORPHOVQFSFOYNV-SNVBAGLBSA-N 1 0 264.325 1.111 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000841652002 729980805 /nfs/dbraw/zinc/98/08/05/729980805.db2.gz CIVJFMSUPGJNNR-AWEZNQCLSA-N 1 0 290.411 1.551 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H](C)CO1 ZINC000844733778 729981203 /nfs/dbraw/zinc/98/12/03/729981203.db2.gz XSGFAEJORQVGHL-NVBFEUDRSA-N 1 0 293.363 1.817 20 10 CDCDRO CCc1cccc(C[NH+]2CCN(CCO)CC2)c1O ZINC000848877908 729985353 /nfs/dbraw/zinc/98/53/53/729985353.db2.gz WQLXEQAWHCPDHO-UHFFFAOYSA-N 1 0 264.369 1.065 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(N)=O ZINC000163755264 730031752 /nfs/dbraw/zinc/03/17/52/730031752.db2.gz IBNOKDLKYZYYAB-ZCFIWIBFSA-N 1 0 273.130 1.118 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccccc1O ZINC000806664017 730021660 /nfs/dbraw/zinc/02/16/60/730021660.db2.gz XNQAONSSCGUZFK-PWSUYJOCSA-N 1 0 282.409 1.911 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCCC1 ZINC000062801568 730021726 /nfs/dbraw/zinc/02/17/26/730021726.db2.gz YFYFABLZEIAAQH-UHFFFAOYSA-N 1 0 273.380 1.520 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c1O ZINC000191519794 730027202 /nfs/dbraw/zinc/02/72/02/730027202.db2.gz FYDWHSXQRZHUSY-YPMHNXCESA-N 1 0 251.326 1.282 20 10 CDCDRO C[NH2+][C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843044736 730029953 /nfs/dbraw/zinc/02/99/53/730029953.db2.gz HBFSTDHLIDZSBL-GFCCVEGCSA-N 1 0 251.349 1.685 20 10 CDCDRO CCN(CC[NH3+])C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861620775 730031101 /nfs/dbraw/zinc/03/11/01/730031101.db2.gz MBHJRVWNCLVEHZ-GFCCVEGCSA-N 1 0 278.400 1.804 20 10 CDCDRO CC[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC000841955716 730055166 /nfs/dbraw/zinc/05/51/66/730055166.db2.gz LBDHSKVIEGYWGQ-HIFRSBDPSA-N 1 0 290.411 1.580 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000843353595 730058226 /nfs/dbraw/zinc/05/82/26/730058226.db2.gz LSBZDDDXXVZQCL-LKFCYVNXSA-N 1 0 280.343 1.903 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113322282 730060167 /nfs/dbraw/zinc/06/01/67/730060167.db2.gz JKQXJIMRGJRZSJ-CYBMUJFWSA-N 1 0 295.402 1.702 20 10 CDCDRO COCC[NH2+]CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817965059 730301076 /nfs/dbraw/zinc/30/10/76/730301076.db2.gz OOSPXAIPTWOQKF-CYBMUJFWSA-N 1 0 265.401 1.639 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000790999737 730302814 /nfs/dbraw/zinc/30/28/14/730302814.db2.gz HXUZLPBVRDRURQ-LLVKDONJSA-N 1 0 279.258 1.804 20 10 CDCDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000094797466 730324863 /nfs/dbraw/zinc/32/48/63/730324863.db2.gz QUBKRSIXIYZPCL-CQSZACIVSA-N 1 0 265.309 1.780 20 10 CDCDRO Cc1ccc(C[NH2+]CCN2CCSCC2)c(O)c1 ZINC000877150322 730326446 /nfs/dbraw/zinc/32/64/46/730326446.db2.gz OQVFGXZXORTNBE-UHFFFAOYSA-N 1 0 266.410 1.839 20 10 CDCDRO Nc1ccc(CC(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC000843454239 730338112 /nfs/dbraw/zinc/33/81/12/730338112.db2.gz OPHWNIVUXKDAGS-UHFFFAOYSA-N 1 0 299.378 1.571 20 10 CDCDRO C[C@@H](NC1C[NH2+]C1)c1cc(Br)ccc1O ZINC000817955780 730391705 /nfs/dbraw/zinc/39/17/05/730391705.db2.gz HRRQLPXZYBTQND-SSDOTTSWSA-N 1 0 271.158 1.777 20 10 CDCDRO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182406404 730396114 /nfs/dbraw/zinc/39/61/14/730396114.db2.gz GHZVKKBBGKSHFN-MNOVXSKESA-N 1 0 280.368 1.966 20 10 CDCDRO CCN(CC)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801565 730417437 /nfs/dbraw/zinc/41/74/37/730417437.db2.gz PYHMXSYQANJCGP-UHFFFAOYSA-N 1 0 275.396 1.766 20 10 CDCDRO C[C@]1(O)COCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337727 895816041 /nfs/dbraw/zinc/81/60/41/895816041.db2.gz BEHMXIWABQBNKF-CYBMUJFWSA-N 1 0 271.744 1.629 20 10 CDCDRO C[NH+]1CCC(CNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406252 895850076 /nfs/dbraw/zinc/85/00/76/895850076.db2.gz UDMZKQRSHZQXMI-HYXAFXHYSA-N 1 0 290.363 1.569 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(OC(C)=O)CC2)c1 ZINC000180278623 899483241 /nfs/dbraw/zinc/48/32/41/899483241.db2.gz FKKNPMSGGHMTPB-UHFFFAOYSA-N 1 0 279.336 1.928 20 10 CDCDRO CN1CCOc2cc(CN3CC[N@@H+]4CC[C@@H]4C3)ccc21 ZINC001141145673 899785955 /nfs/dbraw/zinc/78/59/55/899785955.db2.gz GAOYSXLXUUETBF-CQSZACIVSA-N 1 0 273.380 1.405 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141155674 899818995 /nfs/dbraw/zinc/81/89/95/899818995.db2.gz FCEUHYUYSUXCGE-UHFFFAOYSA-N 1 0 264.325 1.198 20 10 CDCDRO OC[C@]1(F)CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141155970 899821964 /nfs/dbraw/zinc/82/19/64/899821964.db2.gz CGJAXMLNNQVFPZ-AWEZNQCLSA-N 1 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/nfs/dbraw/zinc/36/95/45/911369545.db2.gz JIKVSLLZGLIKJL-CYBMUJFWSA-N 1 0 298.408 1.133 20 10 CDCDRO Cc1cc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)cc1Br ZINC001236289813 914884628 /nfs/dbraw/zinc/88/46/28/914884628.db2.gz IYAWIDHTKWZICG-CMPLNLGQSA-N 1 0 297.196 1.867 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C(C)=O)CC2(C)C)c1 ZINC000182085154 917065481 /nfs/dbraw/zinc/06/54/81/917065481.db2.gz AEAQLTWIAYGVKY-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)C(C)C)c1 ZINC000182222220 917158530 /nfs/dbraw/zinc/15/85/30/917158530.db2.gz FLNRKZNMEPPXHV-AWEZNQCLSA-N 1 0 253.342 1.897 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@H]2C[NH+]3CCC2CC3)c(O)c1 ZINC001182018215 917625066 /nfs/dbraw/zinc/62/50/66/917625066.db2.gz XDTRDRDJUQFULG-HNNXBMFYSA-N 1 0 288.391 1.967 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238065790 917782458 /nfs/dbraw/zinc/78/24/58/917782458.db2.gz FHRLNEADBMQAHR-CQSZACIVSA-N 1 0 280.343 1.892 20 10 CDCDRO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001138468920 936539933 /nfs/dbraw/zinc/53/99/33/936539933.db2.gz HHQXDGAMQJGQPY-UHFFFAOYSA-N 1 0 287.319 1.460 20 10 CDCDRO O[C@@H]1CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496008 936543183 /nfs/dbraw/zinc/54/31/83/936543183.db2.gz MPEYFHANPBDCEC-QGZVFWFLSA-N 1 0 290.407 1.870 20 10 CDCDRO COc1cc(O)c(CN2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000843120432 919693152 /nfs/dbraw/zinc/69/31/52/919693152.db2.gz KOFAFAGDLSSGMP-INIZCTEOSA-N 1 0 292.379 1.595 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C2(CO)CC2)cc1F ZINC000827904245 936613264 /nfs/dbraw/zinc/61/32/64/936613264.db2.gz XUOSWDOFRFEQHB-UHFFFAOYSA-N 1 0 252.333 1.848 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@]3(CCC[N@@H+]3C)C2=O)cc1 ZINC001273526509 920157025 /nfs/dbraw/zinc/15/70/25/920157025.db2.gz GWOHQSYREJZRON-QGZVFWFLSA-N 1 0 287.407 1.949 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140183701 936684840 /nfs/dbraw/zinc/68/48/40/936684840.db2.gz HLCFCHGHHMOPHP-ZDUSSCGKSA-N 1 0 262.353 1.719 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1O ZINC001140183221 936684850 /nfs/dbraw/zinc/68/48/50/936684850.db2.gz AGBJPYVDRVCGGR-GXTWGEPZSA-N 1 0 274.364 1.577 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC(N(C)C3COC3)C2)c1O ZINC001140181544 936684907 /nfs/dbraw/zinc/68/49/07/936684907.db2.gz CYDLANMIOBHXGX-UHFFFAOYSA-N 1 0 276.380 1.524 20 10 CDCDRO COCCCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140622574 936732063 /nfs/dbraw/zinc/73/20/63/936732063.db2.gz AJCKHJLLLHEFLD-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO COC(=O)CC[N@H+](Cc1ccc(O)c(C)c1O)C1CC1 ZINC001140749456 936749418 /nfs/dbraw/zinc/74/94/18/936749418.db2.gz AMNQZEMSDTXOEH-UHFFFAOYSA-N 1 0 279.336 1.934 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(CCF)CC2)c(O)c1 ZINC001140950712 936783407 /nfs/dbraw/zinc/78/34/07/936783407.db2.gz FDJHJNCRZGJFHG-UHFFFAOYSA-N 1 0 252.333 1.788 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001118031195 922867175 /nfs/dbraw/zinc/86/71/75/922867175.db2.gz AFDIACQTSVZDKU-GHMZBOCLSA-N 1 0 295.383 1.759 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(OC)c1 ZINC001141029302 936795154 /nfs/dbraw/zinc/79/51/54/936795154.db2.gz OQLPHBKOPIOGPD-ZUZCIYMTSA-N 1 0 279.336 1.630 20 10 CDCDRO COc1cc(O)c(CN(C)CC[NH+](C)C)c(OC)c1 ZINC001141032360 936795790 /nfs/dbraw/zinc/79/57/90/936795790.db2.gz ZKADPFFQWYVBLN-UHFFFAOYSA-N 1 0 268.357 1.403 20 10 CDCDRO C[NH+]1CCC(O)(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708480098 923177677 /nfs/dbraw/zinc/17/76/77/923177677.db2.gz DHGYLBDGJSBHAL-UHFFFAOYSA-N 1 0 286.322 1.217 20 10 CDCDRO CN1CCOc2cc(CN3CC([NH+](C)C)C3)ccc21 ZINC001141140876 936818621 /nfs/dbraw/zinc/81/86/21/936818621.db2.gz QFDGAKQONSOPAN-UHFFFAOYSA-N 1 0 261.369 1.261 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1 ZINC000697580766 923533602 /nfs/dbraw/zinc/53/36/02/923533602.db2.gz WDTKMUQOOZPKDJ-MNOVXSKESA-N 1 0 271.382 1.784 20 10 CDCDRO Cc1cc(CN2CCC([NH2+]CCO)CC2)ccc1N(C)C ZINC000923411253 923816779 /nfs/dbraw/zinc/81/67/79/923816779.db2.gz BDVMFMYLNIPJBF-UHFFFAOYSA-N 1 0 291.439 1.607 20 10 CDCDRO [NH3+]CC[C@H](NCc1cc(F)ccc1O)C(F)(F)F ZINC000841090907 936975437 /nfs/dbraw/zinc/97/54/37/936975437.db2.gz QFTIONFVDIMVDT-JTQLQIEISA-N 1 0 266.238 1.901 20 10 CDCDRO C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](C)[N@H+]1CCO ZINC000841298165 936991592 /nfs/dbraw/zinc/99/15/92/936991592.db2.gz MZGUYTODRVGCMQ-TXEJJXNPSA-N 1 0 292.383 1.188 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc(O)ccc2O)C1 ZINC001205831176 925369921 /nfs/dbraw/zinc/36/99/21/925369921.db2.gz WUGPZCIOAVVIGP-JQWIXIFHSA-N 1 0 250.342 1.657 20 10 CDCDRO COc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000841928140 937023094 /nfs/dbraw/zinc/02/30/94/937023094.db2.gz RSXJMBZWVNFZHA-NSHDSACASA-N 1 0 293.367 1.200 20 10 CDCDRO CCOCc1cc(CN[C@H](C)C[NH2+]C)ccc1OC ZINC000853248612 927991047 /nfs/dbraw/zinc/99/10/47/927991047.db2.gz HWEDRCZLDSXQSG-GFCCVEGCSA-N 1 0 266.385 1.929 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1O ZINC000691439547 928634953 /nfs/dbraw/zinc/63/49/53/928634953.db2.gz ZHVPDSLWVAPNLX-XHDPSFHLSA-N 1 0 265.353 1.584 20 10 CDCDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000697603382 937284793 /nfs/dbraw/zinc/28/47/93/937284793.db2.gz HVSOZVQCFFEXRG-RYUDHWBXSA-N 1 0 284.425 1.836 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000691523422 929145418 /nfs/dbraw/zinc/14/54/18/929145418.db2.gz OUYCYOKSKWAYNQ-CYBMUJFWSA-N 1 0 262.353 1.713 20 10 CDCDRO COCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000814301838 929665354 /nfs/dbraw/zinc/66/53/54/929665354.db2.gz GLXQLLAPGBKDSS-UHFFFAOYSA-N 1 0 295.335 1.406 20 10 CDCDRO CCNC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001202557070 930280014 /nfs/dbraw/zinc/28/00/14/930280014.db2.gz MFHGVAKITFAFRU-UHFFFAOYSA-N 1 0 277.368 1.676 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCc3nnnn3CC2)c1O ZINC000817419194 930532083 /nfs/dbraw/zinc/53/20/83/930532083.db2.gz QTRSVXUANXZGQH-LBPRGKRZSA-N 1 0 273.340 1.182 20 10 CDCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC001116770499 937470809 /nfs/dbraw/zinc/47/08/09/937470809.db2.gz GCTHBYBXNGEXDD-NWDGAFQWSA-N 1 0 267.300 1.963 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C)c1 ZINC001275278560 931722631 /nfs/dbraw/zinc/72/26/31/931722631.db2.gz NFLXDSHOKWVXQO-KBPBESRZSA-N 1 0 262.353 1.679 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c1 ZINC001275311656 931730969 /nfs/dbraw/zinc/73/09/69/931730969.db2.gz IJNYPNFDQBLFAH-QGZVFWFLSA-N 1 0 290.407 1.997 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c(O)c1 ZINC001144509323 931875610 /nfs/dbraw/zinc/87/56/10/931875610.db2.gz SPDBZFFMBASNMA-LLVKDONJSA-N 1 0 278.352 1.474 20 10 CDCDRO CCO[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515037 931878937 /nfs/dbraw/zinc/87/89/37/931878937.db2.gz CFFPUHPGZGUIAY-SNVBAGLBSA-N 1 0 253.298 1.414 20 10 CDCDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1O ZINC000846213828 932000521 /nfs/dbraw/zinc/00/05/21/932000521.db2.gz KTRVIHCSPHPOCK-SWLSCSKDSA-N 1 0 265.353 1.974 20 10 CDCDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001120268471 937790610 /nfs/dbraw/zinc/79/06/10/937790610.db2.gz FUSMPCCBUUBOJC-AWEZNQCLSA-N 1 0 250.342 1.506 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001120486507 937802798 /nfs/dbraw/zinc/80/27/98/937802798.db2.gz UYBQPEDVHJUXSU-HUUCEWRRSA-N 1 0 288.395 1.695 20 10 CDCDRO CCO[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300117 934852798 /nfs/dbraw/zinc/85/27/98/934852798.db2.gz MHKUMRSDOCSVQZ-SMDDNHRTSA-N 1 0 279.384 1.294 20 10 CDCDRO C[C@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]C1 ZINC001160924316 938844546 /nfs/dbraw/zinc/84/45/46/938844546.db2.gz IBAMRRFTMCMERK-INIZCTEOSA-N 1 0 290.363 1.372 20 10 CDCDRO Nc1ccc(CNc2ncnc3c2CC[NH2+]CC3)cc1 ZINC001162784214 939138031 /nfs/dbraw/zinc/13/80/31/939138031.db2.gz HEHCBMVYRMKJMN-UHFFFAOYSA-N 1 0 269.352 1.359 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c1O ZINC001203585588 939694153 /nfs/dbraw/zinc/69/41/53/939694153.db2.gz QFTPENQYEIWYBN-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC001203601564 939695520 /nfs/dbraw/zinc/69/55/20/939695520.db2.gz AKLMCYUJMOPEBS-LBPRGKRZSA-N 1 0 293.367 1.294 20 10 CDCDRO COc1ccc(O)c(CN2CCO[C@@H](C(C)=O)C2)c1 ZINC001203684211 939700791 /nfs/dbraw/zinc/70/07/91/939700791.db2.gz OPCWDSRVXGWSHE-CQSZACIVSA-N 1 0 265.309 1.191 20 10 CDCDRO Cc1nc(CC[N@@H+](C)Cc2ccc(O)c(O)c2)no1 ZINC001203875385 939710279 /nfs/dbraw/zinc/71/02/79/939710279.db2.gz NBXMBHDXDCPOGR-UHFFFAOYSA-N 1 0 263.297 1.464 20 10 CDCDRO O=C1NCC[C@]12CCC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877801 939710737 /nfs/dbraw/zinc/71/07/37/939710737.db2.gz KCFVLNIFEJCCIG-HNNXBMFYSA-N 1 0 276.336 1.200 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)cc1 ZINC001203934093 939714583 /nfs/dbraw/zinc/71/45/83/939714583.db2.gz UQIFWCXRQKRALX-HIFRSBDPSA-N 1 0 273.380 1.273 20 10 CDCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(O)cc2O)C1 ZINC001204277707 939751568 /nfs/dbraw/zinc/75/15/68/939751568.db2.gz ISJUHZAJXLITIE-CYBMUJFWSA-N 1 0 262.353 1.766 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)cc(O)c1O ZINC001204344631 939758614 /nfs/dbraw/zinc/75/86/14/939758614.db2.gz WJOQMLGNQOROLT-HNNXBMFYSA-N 1 0 281.352 1.843 20 10 CDCDRO CC1([NH3+])CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001204979807 939811113 /nfs/dbraw/zinc/81/11/13/939811113.db2.gz QLHRSYGJWBPUSA-UHFFFAOYSA-N 1 0 271.408 1.918 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001205973079 939962932 /nfs/dbraw/zinc/96/29/32/939962932.db2.gz FSGZUUHNZJPRNY-ZYHUDNBSSA-N 1 0 291.178 1.593 20 10 CDCDRO NC(=O)C12CC([NH2+]Cc3ccc4c(c3)CCO4)(C1)C2 ZINC001278290092 945351022 /nfs/dbraw/zinc/35/10/22/945351022.db2.gz JJQHISSCIASAIB-UHFFFAOYSA-N 1 0 258.321 1.119 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000400271324 940845915 /nfs/dbraw/zinc/84/59/15/940845915.db2.gz MSKFPYVCMZZENV-WDEREUQCSA-N 1 0 284.381 1.077 20 10 CDCDRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258616222 945363042 /nfs/dbraw/zinc/36/30/42/945363042.db2.gz FLJVFNHRWHDVSB-NSHDSACASA-N 1 0 286.331 1.896 20 10 CDCDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001218031112 941036235 /nfs/dbraw/zinc/03/62/35/941036235.db2.gz MTOBGTCTRDDSMS-YMTOWFKASA-N 1 0 289.335 1.808 20 10 CDCDRO COc1cccc([C@@H](C[NH3+])NC(=O)Cc2ccc(N)cc2)c1 ZINC001221403227 941530980 /nfs/dbraw/zinc/53/09/80/941530980.db2.gz HQGFESIKJOLXLY-MRXNPFEDSA-N 1 0 299.374 1.636 20 10 CDCDRO Oc1ccc(CN2CC[NH2+]C[C@]3(CCCCN3)C2)cc1O ZINC001222669937 941623691 /nfs/dbraw/zinc/62/36/91/941623691.db2.gz YVXDQZQNOHQVEW-MRXNPFEDSA-N 1 0 291.395 1.015 20 10 CDCDRO CCOc1ccc(N2CC3(CCN3CC[NH+](C)C)C2)cc1 ZINC001276925709 941702615 /nfs/dbraw/zinc/70/26/15/941702615.db2.gz HRCKIDGVLQBHCA-UHFFFAOYSA-N 1 0 289.423 1.911 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)ccc1N(C)C ZINC000815063104 942408279 /nfs/dbraw/zinc/40/82/79/942408279.db2.gz GKPFQLIWJXCKPY-IRXDYDNUSA-N 1 0 289.423 1.576 20 10 CDCDRO NC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC001277442477 942578716 /nfs/dbraw/zinc/57/87/16/942578716.db2.gz WBPYZATUPFJVFF-LBPRGKRZSA-N 1 0 260.337 1.480 20 10 CDCDRO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001277456838 942622485 /nfs/dbraw/zinc/62/24/85/942622485.db2.gz DDSBUNUOLQFFCU-GFCCVEGCSA-N 1 0 294.782 1.956 20 10 CDCDRO NC(=O)C1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590288 942939270 /nfs/dbraw/zinc/93/92/70/942939270.db2.gz QRYFHLLSTNKXIZ-UHFFFAOYSA-N 1 0 256.305 1.463 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)cc1O ZINC001231638132 942953297 /nfs/dbraw/zinc/95/32/97/942953297.db2.gz VJBQEUAAOBUUSU-YGRLFVJLSA-N 1 0 279.336 1.717 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001231846223 943026964 /nfs/dbraw/zinc/02/69/64/943026964.db2.gz IFAFZFBHVLRFMM-CYBMUJFWSA-N 1 0 274.364 1.816 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001231851534 943028932 /nfs/dbraw/zinc/02/89/32/943028932.db2.gz IREVHPBZBBGDJB-OKILXGFUSA-N 1 0 276.380 1.839 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC001232264474 943194102 /nfs/dbraw/zinc/19/41/02/943194102.db2.gz HUCITNWKKYOUSC-SECBINFHSA-N 1 0 298.770 1.752 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC001232834039 943412302 /nfs/dbraw/zinc/41/23/02/943412302.db2.gz DXVZGXUFMSGVPT-UHFFFAOYSA-N 1 0 265.401 1.842 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC001232835198 943414202 /nfs/dbraw/zinc/41/42/02/943414202.db2.gz ZHOWTAHRZCXBRK-LBPRGKRZSA-N 1 0 277.368 1.156 20 10 CDCDRO CCN1CC[N@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C ZINC001232841877 943417755 /nfs/dbraw/zinc/41/77/55/943417755.db2.gz DJJDEHDINIPNIQ-CYBMUJFWSA-N 1 0 277.412 1.984 20 10 CDCDRO CCCN(CCC[NH+](C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233014615 943463601 /nfs/dbraw/zinc/46/36/01/943463601.db2.gz ABLIHVUJGDTZSX-UHFFFAOYSA-N 1 0 282.384 1.967 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@H]1CCC2(C1)OCCO2 ZINC001233015939 943464368 /nfs/dbraw/zinc/46/43/68/943464368.db2.gz JVIMZHSUIONNFS-NSHDSACASA-N 1 0 295.335 1.531 20 10 CDCDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)C[C@@H](O)CO ZINC001233737223 943647692 /nfs/dbraw/zinc/64/76/92/943647692.db2.gz ZUOJWBHEDAENST-SECBINFHSA-N 1 0 295.257 1.076 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1OC ZINC001235048570 944022908 /nfs/dbraw/zinc/02/29/08/944022908.db2.gz IWNKZFURBGFJCY-NWDGAFQWSA-N 1 0 278.352 1.346 20 10 CDCDRO Cc1cc(CN2CCN[C@@]3(CC[NH2+]C3)C2)ccc1N(C)C ZINC001235051577 944024716 /nfs/dbraw/zinc/02/47/16/944024716.db2.gz AFBNNNZAPSMVHX-QGZVFWFLSA-N 1 0 288.439 1.198 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000701390857 944444136 /nfs/dbraw/zinc/44/41/36/944444136.db2.gz QXHRHJVBFNCBJK-LJLILKBBSA-N 1 0 259.353 1.244 20 10 CDCDRO Oc1cc2ccccc2cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236289637 944447267 /nfs/dbraw/zinc/44/72/67/944447267.db2.gz IICXQLUTTZRCNA-CABCVRRESA-N 1 0 254.333 1.949 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCC[C@H](NC(=O)NC)C2)c(O)c1 ZINC001236786394 944568240 /nfs/dbraw/zinc/56/82/40/944568240.db2.gz BOOLLDBTIUMWAC-AWEZNQCLSA-N 1 0 291.395 1.848 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC001236790754 944568529 /nfs/dbraw/zinc/56/85/29/944568529.db2.gz XTGNIASCTMGMNJ-CYBMUJFWSA-N 1 0 262.353 1.794 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c1 ZINC001236809553 944575762 /nfs/dbraw/zinc/57/57/62/944575762.db2.gz XUCAZZKHZLCRGE-MEBBXXQBSA-N 1 0 265.353 1.912 20 10 CDCDRO Oc1cc2ccccc2cc1C[N@H+]1CCOC[C@H](O)C1 ZINC001236827887 944584315 /nfs/dbraw/zinc/58/43/15/944584315.db2.gz VZPMMYDTHCQKBM-OAHLLOKOSA-N 1 0 273.332 1.739 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1cc(OC)c(O)cc1O ZINC001236868963 944597808 /nfs/dbraw/zinc/59/78/08/944597808.db2.gz KKILSRCQHPUWDQ-JTQLQIEISA-N 1 0 254.330 1.276 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(O)c(OC)c1 ZINC001237675658 944916820 /nfs/dbraw/zinc/91/68/20/944916820.db2.gz CIXTVKRARCLKLX-ZYHUDNBSSA-N 1 0 281.352 1.755 20 10 CDCDRO COCCn1ccc2c1ncnc2C1=CCC[N@H+](C)C1 ZINC001241565312 946345513 /nfs/dbraw/zinc/34/55/13/946345513.db2.gz JSTVUGNOLVIALG-UHFFFAOYSA-N 1 0 272.352 1.797 20 10 CDCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001262487593 946682331 /nfs/dbraw/zinc/68/23/31/946682331.db2.gz YSTVSDGESVHOLU-UHFFFAOYSA-N 1 0 261.369 1.712 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CC3CCN(CC3)C2)cc1O ZINC001254831325 947612055 /nfs/dbraw/zinc/61/20/55/947612055.db2.gz LAURPPQMJRORFV-XJKSGUPXSA-N 1 0 292.379 1.205 20 10 CDCDRO C[C@H]1CC[C@@H](NCCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246248856 948054413 /nfs/dbraw/zinc/05/44/13/948054413.db2.gz WCLUWSWQQDKAKE-CMPLNLGQSA-N 1 0 250.342 1.370 20 10 CDCDRO CCOC(=O)CC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258480491 948875030 /nfs/dbraw/zinc/87/50/30/948875030.db2.gz BQCQBGDKHIIPGL-JTQLQIEISA-N 1 0 295.335 1.602 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H](OC)C2)c(O)c1 ZINC001249178416 949441052 /nfs/dbraw/zinc/44/10/52/949441052.db2.gz RBNJMFMEDMERDF-CYBMUJFWSA-N 1 0 279.336 1.328 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)c(O)c1 ZINC001249177636 949444742 /nfs/dbraw/zinc/44/47/42/949444742.db2.gz GYPXUPZBFPTEIT-LLVKDONJSA-N 1 0 279.336 1.328 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CNCc1cccc(C)c1O ZINC001253214992 951816163 /nfs/dbraw/zinc/81/61/63/951816163.db2.gz UUGJIILIVUYARP-CQSZACIVSA-N 1 0 266.385 1.493 20 10 CDCDRO COc1ccc(CNC(=O)C[NH2+]CC(C)C)c(O)c1 ZINC001326626175 954461880 /nfs/dbraw/zinc/46/18/80/954461880.db2.gz HMOLPHFFICTJAI-UHFFFAOYSA-N 1 0 266.341 1.263 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)N(C)Cc1ccccc1O ZINC001328725106 955443861 /nfs/dbraw/zinc/44/38/61/955443861.db2.gz LPLHKWYOZWZOAC-LLVKDONJSA-N 1 0 265.357 1.532 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001320584527 959259636 /nfs/dbraw/zinc/25/96/36/959259636.db2.gz UKVAFWNNROFVRH-UHFFFAOYSA-N 1 0 291.439 1.691 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC001334754881 959329758 /nfs/dbraw/zinc/32/97/58/959329758.db2.gz USNCXGGPWCPQRQ-CQSZACIVSA-N 1 0 273.380 1.713 20 10 CDCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001335569602 959899020 /nfs/dbraw/zinc/89/90/20/959899020.db2.gz BAZDLOUQGNXTDM-HNNXBMFYSA-N 1 0 290.411 1.942 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001351507536 966946862 /nfs/dbraw/zinc/94/68/62/966946862.db2.gz MILGLVHJHBOUBY-HOGDKLEQSA-N 1 0 290.379 1.887 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)c1O ZINC000848898724 969341762 /nfs/dbraw/zinc/34/17/62/969341762.db2.gz GMQHWLVFYBVPTK-NSHDSACASA-N 1 0 285.409 1.867 20 10 CDCDRO C[NH+](C)CC(C)(C)NC(=O)NCc1ccc(N)cc1 ZINC001357792023 969656270 /nfs/dbraw/zinc/65/62/70/969656270.db2.gz RRXKRLLYAVYOLQ-UHFFFAOYSA-N 1 0 264.373 1.408 20 10 CDCDRO CC[C@H](F)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001132439814 1163295232 /nfs/dbraw/zinc/29/52/32/1163295232.db2.gz MAXQFLGPGNEYKZ-ZDUSSCGKSA-N 1 0 282.359 1.958 20 10 CDCDRO CCS(=O)(=O)CCN(C)Cc1cccc(C)c1O ZINC000180422353 342537859 /nfs/dbraw/zinc/53/78/59/342537859.db2.gz AKFVCPBJLQZZBF-UHFFFAOYSA-N 1 0 271.382 1.567 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000052465311 345242483 /nfs/dbraw/zinc/24/24/83/345242483.db2.gz ZGOMRVXFSCCWAF-UHFFFAOYSA-N 1 0 291.395 1.296 20 10 CDCDRO CCCNC(=O)C[NH2+][C@H](CC)c1ccccc1O ZINC000036780863 356882496 /nfs/dbraw/zinc/88/24/96/356882496.db2.gz PBCXUKJLYXUTKK-GFCCVEGCSA-N 1 0 250.342 1.959 20 10 CDCDRO COc1cc(O)c(C[NH+]2CCC(CO)CC2)cc1OC ZINC000179668570 357219077 /nfs/dbraw/zinc/21/90/77/357219077.db2.gz DBLCZIVIIHKKGO-UHFFFAOYSA-N 1 0 281.352 1.614 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000179726517 357222173 /nfs/dbraw/zinc/22/21/73/357222173.db2.gz ISOUYGZSJBXGRI-AWEZNQCLSA-N 1 0 290.363 1.644 20 10 CDCDRO CC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179998002 357236078 /nfs/dbraw/zinc/23/60/78/357236078.db2.gz ZLDOLMYCMUDLAF-UHFFFAOYSA-N 1 0 280.343 1.974 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364154438 357914427 /nfs/dbraw/zinc/91/44/27/357914427.db2.gz DLHSHADBUNURHH-SWLSCSKDSA-N 1 0 260.337 1.350 20 10 CDCDRO COCCN(CC(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000091773658 358526174 /nfs/dbraw/zinc/52/61/74/358526174.db2.gz HZITZFYQBNKYIL-UHFFFAOYSA-N 1 0 293.411 1.289 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCN(CCOC)CC2)c1 ZINC000123019873 360252028 /nfs/dbraw/zinc/25/20/28/360252028.db2.gz RPHJKHFDMSDHMP-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000374597800 370733758 /nfs/dbraw/zinc/73/37/58/370733758.db2.gz VCMVTHBFANYMER-AEGPPILISA-N 1 0 273.380 1.397 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1O ZINC000271907405 365005254 /nfs/dbraw/zinc/00/52/54/365005254.db2.gz LUIQTNJOUVZVPH-GXFFZTMASA-N 1 0 281.352 1.612 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccccc1O ZINC000272879870 365429684 /nfs/dbraw/zinc/42/96/84/365429684.db2.gz QJWLOSXRTNEXMX-YGRLFVJLSA-N 1 0 261.325 1.510 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cc(OC)ccc1O ZINC000282822278 368053412 /nfs/dbraw/zinc/05/34/12/368053412.db2.gz UHBXGGPWDLFRMJ-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO Oc1ccccc1C[NH2+]CCC1(O)CCOCC1 ZINC000285641861 368648595 /nfs/dbraw/zinc/64/85/95/368648595.db2.gz XSJFNWKWIKEDEE-UHFFFAOYSA-N 1 0 251.326 1.413 20 10 CDCDRO Nc1ccc(CCNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000294929927 371107169 /nfs/dbraw/zinc/10/71/69/371107169.db2.gz DCLLWWBFLVICQJ-AWEZNQCLSA-N 1 0 261.369 1.460 20 10 CDCDRO CCCOc1ccc(C[NH+]2CC(CC(N)=O)C2)c(O)c1 ZINC000297537481 372000148 /nfs/dbraw/zinc/00/01/48/372000148.db2.gz ZUGMBXUWZBBKLA-UHFFFAOYSA-N 1 0 278.352 1.488 20 10 CDCDRO CCCC[N@H+](CC(N)=O)Cc1cccc(C)c1O ZINC000124551521 375992640 /nfs/dbraw/zinc/99/26/40/375992640.db2.gz HTMBWSAACVJLGY-UHFFFAOYSA-N 1 0 250.342 1.788 20 10 CDCDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288623915 197130036 /nfs/dbraw/zinc/13/00/36/197130036.db2.gz RZPQPSVFTJQLFQ-GXFFZTMASA-N 1 0 281.377 1.144 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000153763065 390905152 /nfs/dbraw/zinc/90/51/52/390905152.db2.gz JJBUOQVGOXVJES-ZDUSSCGKSA-N 1 0 251.326 1.109 20 10 CDCDRO CCC(=O)N1CCC[N@H+](Cc2cc(OC)ccc2O)CC1 ZINC000373222299 391112164 /nfs/dbraw/zinc/11/21/64/391112164.db2.gz BOGSRRUVQYPQNM-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1F ZINC000270034770 391262385 /nfs/dbraw/zinc/26/23/85/391262385.db2.gz YYDKOWNZGLJTFQ-AWEZNQCLSA-N 1 0 268.332 1.133 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183603753 391267126 /nfs/dbraw/zinc/26/71/26/391267126.db2.gz KDDVITJQDGTOOH-MNOVXSKESA-N 1 0 271.382 1.866 20 10 CDCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000271595510 391297540 /nfs/dbraw/zinc/29/75/40/391297540.db2.gz GXUFQWHRVAXMKL-HNNXBMFYSA-N 1 0 291.439 1.905 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCOC3)C1)OCO2 ZINC000372175262 391840879 /nfs/dbraw/zinc/84/08/79/391840879.db2.gz GRQLWPAIVKMYIJ-NWDGAFQWSA-N 1 0 291.347 1.979 20 10 CDCDRO COC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)OC ZINC000227707556 392043683 /nfs/dbraw/zinc/04/36/83/392043683.db2.gz YPVWJZCQTALJIH-AWEZNQCLSA-N 1 0 252.358 1.504 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000166190714 261384530 /nfs/dbraw/zinc/38/45/30/261384530.db2.gz SHTDSHVCSUBTGG-JTQLQIEISA-N 1 0 259.733 1.915 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168869542 261423096 /nfs/dbraw/zinc/42/30/96/261423096.db2.gz AXZXMKAQIQBIGX-NMIRZEMHSA-N 1 0 259.346 1.949 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(OC)ccc1O ZINC000182210795 261439512 /nfs/dbraw/zinc/43/95/12/261439512.db2.gz MLZZQODQWBUNEN-AWEZNQCLSA-N 1 0 269.341 1.278 20 10 CDCDRO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000178674885 261755692 /nfs/dbraw/zinc/75/56/92/261755692.db2.gz VBJWIWYGCUTZNF-NSHDSACASA-N 1 0 286.379 1.956 20 10 CDCDRO CC[NH+](CC)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183469612 261976143 /nfs/dbraw/zinc/97/61/43/261976143.db2.gz XERMDHLDOLOCKY-LLVKDONJSA-N 1 0 280.368 1.487 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nncn2C)c(O)c1 ZINC000283843045 263084548 /nfs/dbraw/zinc/08/45/48/263084548.db2.gz AYZAKZFWVTZZGA-NSHDSACASA-N 1 0 260.341 1.988 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000368881922 267210573 /nfs/dbraw/zinc/21/05/73/267210573.db2.gz JJEWUXGRCMHFPS-RYUDHWBXSA-N 1 0 269.316 1.696 20 10 CDCDRO CCC[N@H+](CCO)Cc1cccc(OCC)c1O ZINC000271040332 276254209 /nfs/dbraw/zinc/25/42/09/276254209.db2.gz NIIFVZOHAZLBGJ-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1C ZINC000529669363 281352522 /nfs/dbraw/zinc/35/25/22/281352522.db2.gz WLGDLLDVMWHOTO-CALCHBBNSA-N 1 0 293.407 1.822 20 10 CDCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccn(C)n1 ZINC000572149105 329947778 /nfs/dbraw/zinc/94/77/78/329947778.db2.gz TXWKAAGRAHEUJR-UHFFFAOYSA-N 1 0 272.352 1.459 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1cccc(C)c1O ZINC000224733157 1159159225 /nfs/dbraw/zinc/15/92/25/1159159225.db2.gz RHRKSGJJBZZOLY-UHFFFAOYSA-N 1 0 257.355 1.225 20 10 CDCDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@H+](C)C1CC1 ZINC000167335915 331308248 /nfs/dbraw/zinc/30/82/48/331308248.db2.gz XVRKEKZJPUGJRX-NSHDSACASA-N 1 0 261.369 1.410 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000135727584 334137005 /nfs/dbraw/zinc/13/70/05/334137005.db2.gz PCZSIXCKQLYSMQ-NSHDSACASA-N 1 0 261.369 1.423 20 10 CDCDRO c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc2c1OCC2 ZINC000252667604 334384631 /nfs/dbraw/zinc/38/46/31/334384631.db2.gz MFXPTDRNEQZZAP-JKSUJKDBSA-N 1 0 288.391 1.574 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CCOCCO)C2CC2)cc1 ZINC000265808734 522171751 /nfs/dbraw/zinc/17/17/51/522171751.db2.gz JDDDCZFSXNWPNN-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO CC(C)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC000274962697 519809736 /nfs/dbraw/zinc/80/97/36/519809736.db2.gz UGOBLHYRKMKWMA-XHDPSFHLSA-N 1 0 294.395 1.731 20 10 CDCDRO CC[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(C)cc1O ZINC000280284281 522589249 /nfs/dbraw/zinc/58/92/49/522589249.db2.gz YUDTVDUJROXTIO-LBPRGKRZSA-N 1 0 291.351 1.293 20 10 CDCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc(N)cc1 ZINC000237113714 523040210 /nfs/dbraw/zinc/04/02/10/523040210.db2.gz ZYSMDMASYCLPMA-CQSZACIVSA-N 1 0 275.396 1.612 20 10 CDCDRO COCCC[N@H+](CCOC)Cc1cc2c(cc1O)OCO2 ZINC000068963696 523256185 /nfs/dbraw/zinc/25/61/85/523256185.db2.gz BXAIJAFONGSMAV-UHFFFAOYSA-N 1 0 297.351 1.606 20 10 CDCDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2O)C1 ZINC000278707119 524036876 /nfs/dbraw/zinc/03/68/76/524036876.db2.gz OHUYZHIQRQCOMO-HIFRSBDPSA-N 1 0 295.379 1.238 20 10 CDCDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000048416730 524100221 /nfs/dbraw/zinc/10/02/21/524100221.db2.gz DOLCNIJHFKGPIE-ZDUSSCGKSA-N 1 0 275.396 1.901 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cn2ccnc2)c1 ZINC000037156902 524753478 /nfs/dbraw/zinc/75/34/78/524753478.db2.gz WDYMTPYTINUPLL-NSHDSACASA-N 1 0 261.325 1.776 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000037782226 526028970 /nfs/dbraw/zinc/02/89/70/526028970.db2.gz YPJGHBCVZINZFX-NSHDSACASA-N 1 0 278.352 1.501 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCO)CC2)cc1 ZINC000019785897 536697420 /nfs/dbraw/zinc/69/74/20/536697420.db2.gz UGDTVTGAQKFKAU-UHFFFAOYSA-N 1 0 250.342 1.200 20 10 CDCDRO C[NH+](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000727376055 574580984 /nfs/dbraw/zinc/58/09/84/574580984.db2.gz QSJFKZKOZPYQSZ-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1=CC(=O)CS1 ZINC000732273086 575085493 /nfs/dbraw/zinc/08/54/93/575085493.db2.gz VSZVHHUMSUNDAV-VHSXEESVSA-N 1 0 266.366 1.810 20 10 CDCDRO OCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000767929828 576239628 /nfs/dbraw/zinc/23/96/28/576239628.db2.gz RJMZPNBOSMASAK-UHFFFAOYSA-N 1 0 294.370 1.667 20 10 CDCDRO C[C@H]1C[N@H+](CCCNC(=O)C2=CC(=O)CS2)CCCO1 ZINC000762922479 576693060 /nfs/dbraw/zinc/69/30/60/576693060.db2.gz UAAYWRBCWSPBSJ-NSHDSACASA-N 1 0 298.408 1.684 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)c(O)c1 ZINC000765795035 576056755 /nfs/dbraw/zinc/05/67/55/576056755.db2.gz GVSRTPXKVMCVAZ-KGLIPLIRSA-N 1 0 292.379 1.795 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCCCO1 ZINC000768442602 576283510 /nfs/dbraw/zinc/28/35/10/576283510.db2.gz MHRZRFJEGKCEAP-IUODEOHRSA-N 1 0 293.363 1.819 20 10 CDCDRO COC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768446374 576284073 /nfs/dbraw/zinc/28/40/73/576284073.db2.gz JZYYUDAOBIQNQW-ABAIWWIYSA-N 1 0 293.363 1.676 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768448665 576284769 /nfs/dbraw/zinc/28/47/69/576284769.db2.gz WDCNPTTUZIFLJZ-ABAIWWIYSA-N 1 0 292.379 1.202 20 10 CDCDRO COc1cccc(O)c1CN1CC[NH+](CC2CC2)CC1 ZINC000768770678 576306647 /nfs/dbraw/zinc/30/66/47/576306647.db2.gz IQBCNVBPVREJDN-UHFFFAOYSA-N 1 0 276.380 1.928 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769452673 576355233 /nfs/dbraw/zinc/35/52/33/576355233.db2.gz XYDCAIIWOJCPMX-INIZCTEOSA-N 1 0 276.380 1.744 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000742156983 576583663 /nfs/dbraw/zinc/58/36/63/576583663.db2.gz DDTQXJYCSMCCKD-ZDUSSCGKSA-N 1 0 288.347 1.788 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000742377556 576599003 /nfs/dbraw/zinc/59/90/03/576599003.db2.gz VSHKTLUKJJWVCZ-LBPRGKRZSA-N 1 0 253.342 1.842 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1C ZINC000745789840 576742784 /nfs/dbraw/zinc/74/27/84/576742784.db2.gz QOLUOUHVCGKPDW-YPMHNXCESA-N 1 0 277.368 1.674 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC[NH+](C)C ZINC000747584876 576875933 /nfs/dbraw/zinc/87/59/33/576875933.db2.gz QRFVQUSXPGXZQG-UHFFFAOYSA-N 1 0 292.427 1.764 20 10 CDCDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000748243304 576902801 /nfs/dbraw/zinc/90/28/01/576902801.db2.gz XNRSLCYQDINWHW-HNNXBMFYSA-N 1 0 295.335 1.942 20 10 CDCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000756733638 577002291 /nfs/dbraw/zinc/00/22/91/577002291.db2.gz RLLCQJAHOQTBEJ-NSHDSACASA-N 1 0 290.367 1.906 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCOC2)c2c1c(F)ccc2O ZINC000756769822 577003533 /nfs/dbraw/zinc/00/35/33/577003533.db2.gz NYYBHNQAKHRFCO-BPYAMOTFSA-N 1 0 281.327 1.821 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C2COC(C)(C)OC2)c1 ZINC000758010438 577067031 /nfs/dbraw/zinc/06/70/31/577067031.db2.gz MVDPELJTXMYVPD-UHFFFAOYSA-N 1 0 251.326 1.942 20 10 CDCDRO Nc1ccc(CCNC(=O)N2C3CCC2(C[NH3+])CC3)cc1 ZINC000892039084 617434348 /nfs/dbraw/zinc/43/43/48/617434348.db2.gz ONUIPBHFEOSORF-UHFFFAOYSA-N 1 0 288.395 1.477 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC(C)(C)[NH3+] ZINC000891564173 617479933 /nfs/dbraw/zinc/47/99/33/617479933.db2.gz LTHTZDIADAWPBD-UHFFFAOYSA-N 1 0 292.427 1.988 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1O ZINC000892097858 617480185 /nfs/dbraw/zinc/48/01/85/617480185.db2.gz SRTNHQPRVBWKAO-QJPTWQEYSA-N 1 0 277.368 1.893 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892577724 617515746 /nfs/dbraw/zinc/51/57/46/617515746.db2.gz DAHDEGTXWZBWBE-UMSPYCQHSA-N 1 0 263.341 1.271 20 10 CDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892199306 617546250 /nfs/dbraw/zinc/54/62/50/617546250.db2.gz MCNNFESQXSANSE-AXFHLTTASA-N 1 0 265.357 1.878 20 10 CDCDRO O=C(NCCC1CC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC000892232804 617567311 /nfs/dbraw/zinc/56/73/11/617567311.db2.gz IHLNVJMIYRUCPA-UHFFFAOYSA-N 1 0 289.379 1.807 20 10 CDCDRO C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000891813857 617605436 /nfs/dbraw/zinc/60/54/36/617605436.db2.gz LWFYDGQRASFXKV-WHOFXGATSA-N 1 0 288.395 1.569 20 10 CDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H]3CO)cc2)CC1 ZINC000934019931 617859109 /nfs/dbraw/zinc/85/91/09/617859109.db2.gz TUWFJQUJEXGYBJ-MRXNPFEDSA-N 1 0 290.407 1.868 20 10 CDCDRO COc1cc(C)cc(C[N@H+](CCO)C(C)C)c1O ZINC000893893707 618164080 /nfs/dbraw/zinc/16/40/80/618164080.db2.gz GKGOQKDITDWBKI-UHFFFAOYSA-N 1 0 253.342 1.912 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c(O)c1OC ZINC000893908231 618184678 /nfs/dbraw/zinc/18/46/78/618184678.db2.gz UKENHUCVLVAFSV-CMPLNLGQSA-N 1 0 281.352 1.612 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894273892 618395762 /nfs/dbraw/zinc/39/57/62/618395762.db2.gz RUTKHVMSBJHQGB-AWEZNQCLSA-N 1 0 294.395 1.520 20 10 CDCDRO COc1ccc(C[NH2+]CCC[C@@H](C)O)c(O)c1OC ZINC000894108023 618431643 /nfs/dbraw/zinc/43/16/43/618431643.db2.gz OZYCBPMFAZTDCQ-SNVBAGLBSA-N 1 0 269.341 1.660 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC(=O)N(C)C)c1O ZINC000894210708 618725373 /nfs/dbraw/zinc/72/53/73/618725373.db2.gz JHUZTVRCQYATAV-UHFFFAOYSA-N 1 0 266.341 1.277 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000894345974 618804750 /nfs/dbraw/zinc/80/47/50/618804750.db2.gz NYLHMGAQLDOSGS-DOMZBBRYSA-N 1 0 294.395 1.518 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000894366010 618824238 /nfs/dbraw/zinc/82/42/38/618824238.db2.gz JJXPQITUZYDGFJ-ZDUSSCGKSA-N 1 0 291.351 1.266 20 10 CDCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H](C)CO ZINC000894832850 619085317 /nfs/dbraw/zinc/08/53/17/619085317.db2.gz XJTZEAKEMDQADJ-LLVKDONJSA-N 1 0 253.342 1.912 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2COCO2)cc1F ZINC000894886465 619122877 /nfs/dbraw/zinc/12/28/77/619122877.db2.gz DLLQVIHMIMTBNT-JTQLQIEISA-N 1 0 272.295 1.493 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000894992559 619181592 /nfs/dbraw/zinc/18/15/92/619181592.db2.gz AGXOMPXXCDBJCC-UHFFFAOYSA-N 1 0 299.392 1.376 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000895332235 619571946 /nfs/dbraw/zinc/57/19/46/619571946.db2.gz TXVGMOIKYIEJLL-WFASDCNBSA-N 1 0 281.352 1.109 20 10 CDCDRO COc1ccc(C[NH2+]C2([C@H](C)O)CC2)c(O)c1OC ZINC000895442741 619669665 /nfs/dbraw/zinc/66/96/65/619669665.db2.gz PYHWINIGDSTESS-VIFPVBQESA-N 1 0 267.325 1.412 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000895749284 619823027 /nfs/dbraw/zinc/82/30/27/619823027.db2.gz QHRUAYUPEFYTPA-KBPBESRZSA-N 1 0 265.353 1.720 20 10 CDCDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2O)[C@@H](C)C(=O)N1C ZINC000895923327 619901751 /nfs/dbraw/zinc/90/17/51/619901751.db2.gz WQDSXNUJGWGSAD-UTUOFQBUSA-N 1 0 262.353 1.832 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1C ZINC000897057523 620362022 /nfs/dbraw/zinc/36/20/22/620362022.db2.gz DZHYSFTZKJROLT-GFCCVEGCSA-N 1 0 298.408 1.119 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COCC[C@H]2OC)c1 ZINC000897891940 621197526 /nfs/dbraw/zinc/19/75/26/621197526.db2.gz YYOJBTDRNQWZQM-UKRRQHHQSA-N 1 0 281.352 1.684 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000902626570 625053623 /nfs/dbraw/zinc/05/36/23/625053623.db2.gz GLNKPILIYAIXNZ-LSDHHAIUSA-N 1 0 277.364 1.999 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000905080012 626393739 /nfs/dbraw/zinc/39/37/39/626393739.db2.gz ARBMAFHMSPKYTH-UHFFFAOYSA-N 1 0 279.340 1.530 20 10 CDCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000069142251 1158776201 /nfs/dbraw/zinc/77/62/01/1158776201.db2.gz HKMHNORFPSIOPM-LLVKDONJSA-N 1 0 289.784 1.712 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c(O)c1 ZINC000794389417 1162469546 /nfs/dbraw/zinc/46/95/46/1162469546.db2.gz NCRHVLREOHARJT-AWEZNQCLSA-N 1 0 290.363 1.644 20 10 CDCDRO Oc1ccc(C[NH2+]C2CCN(C3CC3)CC2)c(O)c1 ZINC000037140887 1165761988 /nfs/dbraw/zinc/76/19/88/1165761988.db2.gz KQZLVZYAAVGHHB-UHFFFAOYSA-N 1 0 262.353 1.814 20 10 CDCDRO Cc1ccc(C[NH2+]CCN2CCO[C@@H](C)C2)c(O)c1 ZINC000877021180 1165960890 /nfs/dbraw/zinc/96/08/90/1165960890.db2.gz RTIMMUSAUNQONO-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO N[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCC1(F)F ZINC001206655293 1167172870 /nfs/dbraw/zinc/17/28/70/1167172870.db2.gz GQJKEJKZHGPVMA-LLVKDONJSA-N 1 0 258.268 1.266 20 10 CDCDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001578607112 1171960544 /nfs/dbraw/zinc/96/05/44/1171960544.db2.gz WLUSDKKFMMQCBF-LLVKDONJSA-N 1 0 275.312 1.283 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1cccc(Cl)c1O ZINC001578686776 1171980832 /nfs/dbraw/zinc/98/08/32/1171980832.db2.gz IUDLDHWXJJDJFL-UHFFFAOYSA-N 1 0 271.748 1.454 20 10 CDCDRO O=C(COC1C[NH2+]C1)NCc1c(O)ccc2ccccc21 ZINC001580560657 1172466378 /nfs/dbraw/zinc/46/63/78/1172466378.db2.gz YAYXCFLAMPSPTK-UHFFFAOYSA-N 1 0 286.331 1.150 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)C2(CF)CC2)cc1C ZINC001133635734 1163824461 /nfs/dbraw/zinc/82/44/61/1163824461.db2.gz PLQGKRFFXMJXLC-UHFFFAOYSA-N 1 0 294.370 1.959 20 10 CDCDRO C[NH+](C)CC(C)(C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000837239142 730421351 /nfs/dbraw/zinc/42/13/51/730421351.db2.gz KZGSDRGMYICGEV-VURMDHGXSA-N 1 0 278.352 1.567 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCCn2cncn2)c1O ZINC000846162960 730449711 /nfs/dbraw/zinc/44/97/11/730449711.db2.gz NIDFEJPNATVPQT-NSHDSACASA-N 1 0 276.340 1.733 20 10 CDCDRO CCN1CCC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000722356437 730459888 /nfs/dbraw/zinc/45/98/88/730459888.db2.gz PPGMXVSZTYNZIS-OLZOCXBDSA-N 1 0 274.364 1.980 20 10 CDCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000111384931 730466569 /nfs/dbraw/zinc/46/65/69/730466569.db2.gz ZAOKHSJWRWUMJK-MRXNPFEDSA-N 1 0 296.386 1.913 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000841943105 730473839 /nfs/dbraw/zinc/47/38/39/730473839.db2.gz GDSYSRPGXUXVSE-AWEZNQCLSA-N 1 0 290.411 1.646 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000852885120 730474320 /nfs/dbraw/zinc/47/43/20/730474320.db2.gz NFWKYTCSNIMRHS-IINYFYTJSA-N 1 0 292.379 1.966 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c(O)c1 ZINC000877601303 730561439 /nfs/dbraw/zinc/56/14/39/730561439.db2.gz YUFDHABLFPYORF-UHFFFAOYSA-N 1 0 289.379 1.690 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000720939672 730566278 /nfs/dbraw/zinc/56/62/78/730566278.db2.gz JQABXZIILAGGGZ-KLPPZKSPSA-N 1 0 251.326 1.651 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000848907589 730617139 /nfs/dbraw/zinc/61/71/39/730617139.db2.gz FYQDRVDFGFKEGJ-CABCVRRESA-N 1 0 279.380 1.689 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000839196977 730656934 /nfs/dbraw/zinc/65/69/34/730656934.db2.gz ZAGOEYYYTQPEPN-LLVKDONJSA-N 1 0 264.325 1.017 20 10 CDCDRO O=C(C[NH2+]CC1CC1)NCCCSc1nccs1 ZINC000829528043 730684347 /nfs/dbraw/zinc/68/43/47/730684347.db2.gz JPKPIYHSMUWJPK-UHFFFAOYSA-N 1 0 285.438 1.741 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000164675425 730704160 /nfs/dbraw/zinc/70/41/60/730704160.db2.gz YMWVKFUTNNLYOQ-SECBINFHSA-N 1 0 256.733 1.205 20 10 CDCDRO O=C(NCC[NH+]1CCCCCC1)c1cccc(O)c1O ZINC000186905554 730707187 /nfs/dbraw/zinc/70/71/87/730707187.db2.gz RHYPGPXYOQQKGX-UHFFFAOYSA-N 1 0 278.352 1.704 20 10 CDCDRO C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccccc1O ZINC000877255975 730867101 /nfs/dbraw/zinc/86/71/01/730867101.db2.gz LJFHYFJHXBXJMX-ABAIWWIYSA-N 1 0 262.353 1.959 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000876527949 730876359 /nfs/dbraw/zinc/87/63/59/730876359.db2.gz NCTCXGCXTJLBHM-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000831073476 730943847 /nfs/dbraw/zinc/94/38/47/730943847.db2.gz UUWVZDINWMIHJV-BLLLJJGKSA-N 1 0 290.411 1.865 20 10 CDCDRO CCNC(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876553200 730969388 /nfs/dbraw/zinc/96/93/88/730969388.db2.gz JSKKSHICHJHIRB-UHFFFAOYSA-N 1 0 277.368 1.548 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000848919197 731009399 /nfs/dbraw/zinc/00/93/99/731009399.db2.gz HBJLFBOBBHZRIN-KGLIPLIRSA-N 1 0 290.363 1.885 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000841656328 731017172 /nfs/dbraw/zinc/01/71/72/731017172.db2.gz ZRNMXMHQQSKNLP-AWEZNQCLSA-N 1 0 276.384 1.289 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2cc(C)ccc2O)CCOC1 ZINC000775033174 731037580 /nfs/dbraw/zinc/03/75/80/731037580.db2.gz MEYIZBUUTWCJHK-OAHLLOKOSA-N 1 0 265.353 1.986 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC(=O)O2)c1 ZINC000851900338 731100683 /nfs/dbraw/zinc/10/06/83/731100683.db2.gz SIKPWLDRIYKKER-KOLCDFICSA-N 1 0 265.309 1.757 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c(O)c1 ZINC000877025284 731100979 /nfs/dbraw/zinc/10/09/79/731100979.db2.gz FWUJRPHNVCHCOP-UONOGXRCSA-N 1 0 278.396 1.899 20 10 CDCDRO C[NH+](C)CC1(NC(=O)Nc2ccc(N)cc2)CCC1 ZINC000393506669 731115264 /nfs/dbraw/zinc/11/52/64/731115264.db2.gz CLTDAZJVFJWCTG-UHFFFAOYSA-N 1 0 262.357 1.875 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@H](O)C1CC1 ZINC000809752139 731125973 /nfs/dbraw/zinc/12/59/73/731125973.db2.gz NOZLVSOMRVBGJR-ZDUSSCGKSA-N 1 0 251.326 1.604 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]CC3(O)CCC3)cc2)CC1 ZINC000853121218 731134392 /nfs/dbraw/zinc/13/43/92/731134392.db2.gz BHROIKOHGYGELR-UHFFFAOYSA-N 1 0 290.407 1.652 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000841652500 731198643 /nfs/dbraw/zinc/19/86/43/731198643.db2.gz DTQJFPWIDFDXQW-UHFFFAOYSA-N 1 0 290.411 1.694 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000830865545 731232047 /nfs/dbraw/zinc/23/20/47/731232047.db2.gz NYVJCDMIACWOTR-DZGCQCFKSA-N 1 0 292.379 1.108 20 10 CDCDRO CC[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000378803819 731261096 /nfs/dbraw/zinc/26/10/96/731261096.db2.gz VQFSOWKBJSOTFK-CQSZACIVSA-N 1 0 265.309 1.780 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000825158782 731297104 /nfs/dbraw/zinc/29/71/04/731297104.db2.gz ZZLSAABQLOWELL-MRXNPFEDSA-N 1 0 278.396 1.583 20 10 CDCDRO C[C@H](NC(=O)N1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841880534 731386648 /nfs/dbraw/zinc/38/66/48/731386648.db2.gz BXMHMXAXZARBFE-ZDUSSCGKSA-N 1 0 290.411 1.819 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000877057130 731389387 /nfs/dbraw/zinc/38/93/87/731389387.db2.gz VFHLNDCOQQQTOV-CYBMUJFWSA-N 1 0 278.396 1.759 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071264283 731395673 /nfs/dbraw/zinc/39/56/73/731395673.db2.gz HHDKVHFBNXCFOJ-CQSZACIVSA-N 1 0 264.369 1.166 20 10 CDCDRO COc1c([O-])c(C[N@H+](C)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843045897 731441030 /nfs/dbraw/zinc/44/10/30/731441030.db2.gz LRHPMSCBPOZYPZ-UHFFFAOYSA-N 1 0 295.339 1.493 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000852898919 731451665 /nfs/dbraw/zinc/45/16/65/731451665.db2.gz AWLPFNXZTUXHJJ-HZPDHXFCSA-N 1 0 287.407 1.944 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(OC)c(C)cc3O)C[C@@H]21 ZINC000793653927 731524053 /nfs/dbraw/zinc/52/40/53/731524053.db2.gz JTEUETGAKGBBGI-JYAVWHMHSA-N 1 0 291.347 1.560 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c1 ZINC000248483435 731612513 /nfs/dbraw/zinc/61/25/13/731612513.db2.gz CUDDEEGJLSWIBS-CHWSQXEVSA-N 1 0 294.395 1.772 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCN2CC)c1 ZINC000883360883 731630150 /nfs/dbraw/zinc/63/01/50/731630150.db2.gz NVVWSFRJADNHFJ-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1F ZINC000841758500 731656103 /nfs/dbraw/zinc/65/61/03/731656103.db2.gz BRIFFRNHYIEHRF-GFCCVEGCSA-N 1 0 294.374 1.524 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840951832 731692168 /nfs/dbraw/zinc/69/21/68/731692168.db2.gz CPIHGNQFQFGDPO-LSDHHAIUSA-N 1 0 264.369 1.564 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000877413667 731727461 /nfs/dbraw/zinc/72/74/61/731727461.db2.gz PWCPJEPIUDZCOV-UHFFFAOYSA-N 1 0 271.320 1.755 20 10 CDCDRO CCC[N@H+](CCN1C(=O)CCC1=O)Cc1ccccc1O ZINC000174371666 731800987 /nfs/dbraw/zinc/80/09/87/731800987.db2.gz YJPPMHQILVHTON-UHFFFAOYSA-N 1 0 290.363 1.753 20 10 CDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)[C@H](C)C1 ZINC000793586087 731806307 /nfs/dbraw/zinc/80/63/07/731806307.db2.gz FRPWFWKHTAXWKD-VXGBXAGGSA-N 1 0 298.814 1.933 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000817982797 731807750 /nfs/dbraw/zinc/80/77/50/731807750.db2.gz HJRATNVXIHYXBH-WFASDCNBSA-N 1 0 263.385 1.392 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841656264 731811137 /nfs/dbraw/zinc/81/11/37/731811137.db2.gz ZCPLXXPBOAIHLF-UHFFFAOYSA-N 1 0 264.373 1.161 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCC(O)CC2)cc1C ZINC000321851321 731813375 /nfs/dbraw/zinc/81/33/75/731813375.db2.gz VVKRJFVMIWYKLT-UHFFFAOYSA-N 1 0 278.396 1.550 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1F ZINC000862211388 731815862 /nfs/dbraw/zinc/81/58/62/731815862.db2.gz IERQQCOVJVYMSO-VIFPVBQESA-N 1 0 283.322 1.338 20 10 CDCDRO CC(C)(C)n1cc(C[NH2+]CCc2ccc(N)cc2)nn1 ZINC000841038975 731818130 /nfs/dbraw/zinc/81/81/30/731818130.db2.gz WDICJCOBFMTQBW-UHFFFAOYSA-N 1 0 273.384 1.948 20 10 CDCDRO C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882177 731830526 /nfs/dbraw/zinc/83/05/26/731830526.db2.gz XHAMWRDABOZKAO-GXTWGEPZSA-N 1 0 290.411 1.946 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)NC(C)C)c1 ZINC000828155438 731840473 /nfs/dbraw/zinc/84/04/73/731840473.db2.gz MTDZVVJZOALYIW-NSHDSACASA-N 1 0 295.383 1.759 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841824805 731857734 /nfs/dbraw/zinc/85/77/34/731857734.db2.gz UNTWPWVVHTVJNE-FICVDOATSA-N 1 0 288.395 1.078 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CC)[C@H]2CCNC2=O)cc1 ZINC000815107611 731873642 /nfs/dbraw/zinc/87/36/42/731873642.db2.gz MBJKLSGDTOMIEI-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)[C@H]2CC[NH2+]C2)c1O ZINC000843351129 731877462 /nfs/dbraw/zinc/87/74/62/731877462.db2.gz FTQMWRAHOUFYOW-LBPRGKRZSA-N 1 0 266.316 1.528 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000877594067 731886424 /nfs/dbraw/zinc/88/64/24/731886424.db2.gz ANVRTRWXMUJRAI-LBPRGKRZSA-N 1 0 265.353 1.672 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1cc(Br)ccc1O ZINC000163754526 731886781 /nfs/dbraw/zinc/88/67/81/731886781.db2.gz MSUOQLFISZKBND-UHFFFAOYSA-N 1 0 287.157 1.380 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000846155656 731890336 /nfs/dbraw/zinc/89/03/36/731890336.db2.gz BODYRMWFVGADEE-HZMBPMFUSA-N 1 0 267.325 1.203 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](CO)C(C)C)c1O ZINC000394026967 731890410 /nfs/dbraw/zinc/89/04/10/731890410.db2.gz FVIQVFGSLLBMNY-GFCCVEGCSA-N 1 0 253.342 1.755 20 10 CDCDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597960 731983690 /nfs/dbraw/zinc/98/36/90/731983690.db2.gz WULABSOMRJEKMY-LBPRGKRZSA-N 1 0 298.333 1.870 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933282 732026399 /nfs/dbraw/zinc/02/63/99/732026399.db2.gz GCRFECRHHUWGJF-CQSZACIVSA-N 1 0 266.385 1.548 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COC[C@H]2OC)c1O ZINC000846171171 732049919 /nfs/dbraw/zinc/04/99/19/732049919.db2.gz DZPXBTPJLHDGOO-IRUJWGPZSA-N 1 0 267.325 1.465 20 10 CDCDRO CC(C)(CCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304345119 732163958 /nfs/dbraw/zinc/16/39/58/732163958.db2.gz QEBKHWCOXIHTHM-UHFFFAOYSA-N 1 0 296.386 1.913 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000841856037 732182328 /nfs/dbraw/zinc/18/23/28/732182328.db2.gz LGXMNLFLCGKQQJ-CQSZACIVSA-N 1 0 261.369 1.445 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000846168252 732194909 /nfs/dbraw/zinc/19/49/09/732194909.db2.gz IYMYYQBAPBLUST-ZUZCIYMTSA-N 1 0 278.352 1.720 20 10 CDCDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(F)ccc1O ZINC000094617642 732205697 /nfs/dbraw/zinc/20/56/97/732205697.db2.gz LUFOZUDPHUURPK-SECBINFHSA-N 1 0 254.305 1.660 20 10 CDCDRO CC[NH2+]CC(=O)NCCCSc1nccs1 ZINC000843439622 732252678 /nfs/dbraw/zinc/25/26/78/732252678.db2.gz NAQNCJBDASZRCM-UHFFFAOYSA-N 1 0 259.400 1.351 20 10 CDCDRO CCOc1ccc(CN2CCC[C@H]([NH2+]C)C2)c(O)c1 ZINC000843048757 732281781 /nfs/dbraw/zinc/28/17/81/732281781.db2.gz WAYCQEAXRPBQAU-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758493 732285590 /nfs/dbraw/zinc/28/55/90/732285590.db2.gz BREHDDWGMLJWDX-JTQLQIEISA-N 1 0 282.363 1.380 20 10 CDCDRO C[C@@H](O)C1([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000827585380 732317282 /nfs/dbraw/zinc/31/72/82/732317282.db2.gz HJCRZAHNVYZZIV-SNVBAGLBSA-N 1 0 252.333 1.895 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCS(C)(=O)=O)c1O ZINC000846141621 732429789 /nfs/dbraw/zinc/42/97/89/732429789.db2.gz KXDSYORTIKHKPP-VIFPVBQESA-N 1 0 273.354 1.096 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000808426565 732443112 /nfs/dbraw/zinc/44/31/12/732443112.db2.gz FMGANBWSVKNPBC-LLVKDONJSA-N 1 0 299.392 1.315 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C(C)(C)C[NH3+])cc1 ZINC000137416717 732457307 /nfs/dbraw/zinc/45/73/07/732457307.db2.gz SDQYSLTXNGBPGM-UHFFFAOYSA-N 1 0 263.385 1.696 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2cccc(C)c2O)CCOC1 ZINC000775202993 732529819 /nfs/dbraw/zinc/52/98/19/732529819.db2.gz IJOZATLMOOUNNV-OAHLLOKOSA-N 1 0 265.353 1.986 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000818656738 732598535 /nfs/dbraw/zinc/59/85/35/732598535.db2.gz XFPJPFQERZROCA-ZIAGYGMSSA-N 1 0 276.384 1.380 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000876767393 732644889 /nfs/dbraw/zinc/64/48/89/732644889.db2.gz IIINXLDBQBHRRA-LBPRGKRZSA-N 1 0 263.385 1.675 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@](CO)(COC)C2)c1O ZINC000825158446 732689162 /nfs/dbraw/zinc/68/91/62/732689162.db2.gz LUGHCCGGCXVDIS-INIZCTEOSA-N 1 0 295.379 1.622 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1 ZINC000702637001 732705304 /nfs/dbraw/zinc/70/53/04/732705304.db2.gz RJKPIHJOWGKFDJ-IUODEOHRSA-N 1 0 264.369 1.418 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000122879559 732749064 /nfs/dbraw/zinc/74/90/64/732749064.db2.gz OICNORIMGNBTRM-CYBMUJFWSA-N 1 0 271.744 1.941 20 10 CDCDRO COc1cccc(C[NH2+]CCc2cnccn2)c1O ZINC000389911863 732813639 /nfs/dbraw/zinc/81/36/39/732813639.db2.gz BWNLWNZSDQGBLX-UHFFFAOYSA-N 1 0 259.309 1.523 20 10 CDCDRO COC1CC(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000876507300 732828538 /nfs/dbraw/zinc/82/85/38/732828538.db2.gz ZYLOFSRQKCFPRL-PESDSKBTSA-N 1 0 291.395 1.294 20 10 CDCDRO COc1cccc(C[N@H+](C)C2(CO)CCC2)c1O ZINC000827904028 732843669 /nfs/dbraw/zinc/84/36/69/732843669.db2.gz TZCLPFWBJJDEQZ-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CC[NH+](CC)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103529521 732847492 /nfs/dbraw/zinc/84/74/92/732847492.db2.gz LIAUOOYCNSYFBV-NSHDSACASA-N 1 0 280.368 1.920 20 10 CDCDRO CC[NH+]1CCC(CNC(=O)c2cccc(O)c2O)CC1 ZINC000126352272 732893908 /nfs/dbraw/zinc/89/39/08/732893908.db2.gz NBQDJUUUOYRHQE-UHFFFAOYSA-N 1 0 278.352 1.560 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000841654998 733000239 /nfs/dbraw/zinc/00/02/39/733000239.db2.gz QWLPZMYPBUETSV-KBPBESRZSA-N 1 0 290.411 1.679 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000775984963 733024104 /nfs/dbraw/zinc/02/41/04/733024104.db2.gz IRJOZIJPJKFARO-VXGBXAGGSA-N 1 0 264.369 1.925 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000828667136 733037182 /nfs/dbraw/zinc/03/71/82/733037182.db2.gz MWQVZAVVJYAZHJ-QWRGUYRKSA-N 1 0 278.352 1.720 20 10 CDCDRO COCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274525 733063075 /nfs/dbraw/zinc/06/30/75/733063075.db2.gz UUKBGMKHFNDXNY-CQSZACIVSA-N 1 0 279.384 1.295 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862428940 733069464 /nfs/dbraw/zinc/06/94/64/733069464.db2.gz XMPWQLTVXPEMEP-LBPRGKRZSA-N 1 0 278.352 1.453 20 10 CDCDRO CC[C@@H](C(=O)NCc1cc(C)ccc1O)[NH+](C)C ZINC000862758426 733079356 /nfs/dbraw/zinc/07/93/56/733079356.db2.gz YSJMIJQJOSOYHX-LBPRGKRZSA-N 1 0 250.342 1.657 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)cc1C ZINC000886294858 733151971 /nfs/dbraw/zinc/15/19/71/733151971.db2.gz ZRKTZCJHDYYKPP-YPMHNXCESA-N 1 0 283.393 1.532 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000840964182 733161575 /nfs/dbraw/zinc/16/15/75/733161575.db2.gz YPMCEIOSKCZTRX-GXTWGEPZSA-N 1 0 265.353 1.578 20 10 CDCDRO CCOc1cccc(CN2CCC([NH2+]CCO)CC2)c1O ZINC000873217657 1165524922 /nfs/dbraw/zinc/52/49/22/1165524922.db2.gz NUECZGBRTDYWHM-UHFFFAOYSA-N 1 0 294.395 1.337 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000877142330 1165982266 /nfs/dbraw/zinc/98/22/66/1165982266.db2.gz RNYANHRVSZLQEB-CYBMUJFWSA-N 1 0 293.363 1.712 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000877436945 1166037906 /nfs/dbraw/zinc/03/79/06/1166037906.db2.gz PKDNPAGOCSXKPT-ZWNOBZJWSA-N 1 0 262.353 1.786 20 10 CDCDRO C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)c1ccccc1O ZINC000879650001 1166391387 /nfs/dbraw/zinc/39/13/87/1166391387.db2.gz XBXGQXRLNDSMJS-SNVBAGLBSA-N 1 0 291.351 1.373 20 10 CDCDRO CC[N@@H+]1CC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173368165 912500078 /nfs/dbraw/zinc/50/00/78/912500078.db2.gz NMIVFCFSHJLOIU-CQSZACIVSA-N 1 0 276.380 1.940 20 10 CDCDRO CCS(=O)(=O)c1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173882359 912892750 /nfs/dbraw/zinc/89/27/50/912892750.db2.gz GMLWKIIMKCPBLY-UHFFFAOYSA-N 1 0 278.333 1.746 20 10 CDCDRO CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2O)C1=O ZINC000690258128 913876351 /nfs/dbraw/zinc/87/63/51/913876351.db2.gz IZJAFWPIFBJEDA-LLVKDONJSA-N 1 0 268.744 1.708 20 10 CDCDRO COc1cc(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc(O)c1O ZINC001235165077 914060846 /nfs/dbraw/zinc/06/08/46/914060846.db2.gz GGCNAFQXAHRGDT-IINYFYTJSA-N 1 0 264.325 1.030 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1O ZINC001140742799 898164311 /nfs/dbraw/zinc/16/43/11/898164311.db2.gz ZPKKLGPCYXLJDI-YPMHNXCESA-N 1 0 269.316 1.701 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC000294081460 899150395 /nfs/dbraw/zinc/15/03/95/899150395.db2.gz QZNNBWLHDLJULC-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO Cc1c(N)cc[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001168005343 905339020 /nfs/dbraw/zinc/33/90/20/905339020.db2.gz BHJFUUIANAWTDH-UHFFFAOYSA-N 1 0 275.308 1.744 20 10 CDCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCS1(=O)=O ZINC000922298138 921486838 /nfs/dbraw/zinc/48/68/38/921486838.db2.gz PNZZKRQZGFITAA-BXUZGUMPSA-N 1 0 295.404 1.677 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1(CO)CC1 ZINC000696064215 911637229 /nfs/dbraw/zinc/63/72/29/911637229.db2.gz SUJHKDANZSOOSU-SECBINFHSA-N 1 0 265.309 1.372 20 10 CDCDRO C[N@@H+]1CCC[C@@](C)(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179691248 915930901 /nfs/dbraw/zinc/93/09/01/915930901.db2.gz DXRLQLXXHKMPOQ-BIENSFFJSA-N 1 0 290.363 1.712 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@H](C)[NH+](C)C)c(O)c1 ZINC001180864115 916681344 /nfs/dbraw/zinc/68/13/44/916681344.db2.gz RIPPLNXFYMCPNF-NSHDSACASA-N 1 0 250.342 1.575 20 10 CDCDRO C[N@H+]1C[C@H]2CN(C(=O)CCc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001182154346 917694051 /nfs/dbraw/zinc/69/40/51/917694051.db2.gz GQTBINDIZXDJSM-BETUJISGSA-N 1 0 290.363 1.050 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c2ccccc2n1C ZINC001138252856 936501866 /nfs/dbraw/zinc/50/18/66/936501866.db2.gz WYXYYKDDLRBYLW-DYVFJYSZSA-N 1 0 288.391 1.662 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](F)[C@@H](O)C3)ccc21 ZINC001138354208 936525265 /nfs/dbraw/zinc/52/52/65/936525265.db2.gz APWPMXRKZOFPOW-ZBFHGGJFSA-N 1 0 278.371 1.974 20 10 CDCDRO CC(=O)[C@H]1CN(Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138358812 936525853 /nfs/dbraw/zinc/52/58/53/936525853.db2.gz CEMSWXWSLDNCKG-QGZVFWFLSA-N 1 0 288.391 1.859 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001138499909 936543131 /nfs/dbraw/zinc/54/31/31/936543131.db2.gz ORTSMJYKTKSSHL-KRWDZBQOSA-N 1 0 288.391 1.888 20 10 CDCDRO CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C)cc1 ZINC001273526406 920147494 /nfs/dbraw/zinc/14/74/94/920147494.db2.gz CXWGAFLUHHVVPV-HZPDHXFCSA-N 1 0 287.407 1.948 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001140338177 936702860 /nfs/dbraw/zinc/70/28/60/936702860.db2.gz YORHPFPSUPXGNO-NOZJJQNGSA-N 1 0 271.744 1.221 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140624130 936732319 /nfs/dbraw/zinc/73/23/19/936732319.db2.gz HKHLEHAKLZZJOT-ZDUSSCGKSA-N 1 0 279.336 1.465 20 10 CDCDRO Cc1ccc(O)c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001140624336 936732328 /nfs/dbraw/zinc/73/23/28/936732328.db2.gz RIMNVFYSDYLBQI-INIZCTEOSA-N 1 0 290.407 1.997 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1O ZINC001140742655 936748508 /nfs/dbraw/zinc/74/85/08/936748508.db2.gz UBKYNGZBQCDICU-BMIGLBTASA-N 1 0 265.353 1.999 20 10 CDCDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(O)c(C)c1O ZINC001140749174 936749772 /nfs/dbraw/zinc/74/97/72/936749772.db2.gz ZJGOCTNLUUTHRU-PBWFPOADSA-N 1 0 293.363 1.784 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000694514334 922750958 /nfs/dbraw/zinc/75/09/58/922750958.db2.gz GUFOFJXKSKBJGF-CYBMUJFWSA-N 1 0 283.393 1.758 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCc3cnn(C)c3C2)c(O)c1 ZINC001140958242 936784060 /nfs/dbraw/zinc/78/40/60/936784060.db2.gz VJEJIGBVTYEXTA-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162450 936823019 /nfs/dbraw/zinc/82/30/19/936823019.db2.gz RXPXYSGAYRYJNH-GFCCVEGCSA-N 1 0 264.325 1.150 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(OCCO)CC2)c1O ZINC000775734013 924948002 /nfs/dbraw/zinc/94/80/02/924948002.db2.gz XXKSEIZKHHUOTB-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000841046237 936972707 /nfs/dbraw/zinc/97/27/07/936972707.db2.gz YHWWJTOMGYWWJN-BBRMVZONSA-N 1 0 277.412 1.769 20 10 CDCDRO C[NH+]1CCC(C(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001143311529 937151543 /nfs/dbraw/zinc/15/15/43/937151543.db2.gz PDECXTVCHCTBDI-UHFFFAOYSA-N 1 0 274.364 1.619 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)CO1 ZINC001169349819 927954789 /nfs/dbraw/zinc/95/47/89/927954789.db2.gz RGXRDKFTGZHYSD-WCQYABFASA-N 1 0 295.335 1.298 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)CO1 ZINC001169335028 927960289 /nfs/dbraw/zinc/96/02/89/927960289.db2.gz PIHOCKBRMKRKTD-FZMZJTMJSA-N 1 0 295.335 1.298 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CO1 ZINC001169336984 927962094 /nfs/dbraw/zinc/96/20/94/927962094.db2.gz AGRGLHXVBVAMCY-RISCZKNCSA-N 1 0 295.335 1.298 20 10 CDCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)S(C)(=O)=O ZINC000697567082 937283397 /nfs/dbraw/zinc/28/33/97/937283397.db2.gz HJOIJCCCDUEDBA-KOLCDFICSA-N 1 0 269.366 1.402 20 10 CDCDRO CCc1cccc(C[NH2+]CCC[S@](C)=O)c1O ZINC000691520515 929123782 /nfs/dbraw/zinc/12/37/82/929123782.db2.gz DJXIUJVJEBVSMR-KRWDZBQOSA-N 1 0 255.383 1.813 20 10 CDCDRO COC(=O)COc1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170059913 929249165 /nfs/dbraw/zinc/24/91/65/929249165.db2.gz XWNMUUCECNPPKG-UHFFFAOYSA-N 1 0 266.341 1.412 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000815101383 929945621 /nfs/dbraw/zinc/94/56/21/929945621.db2.gz XTTMHBPKLQKUFE-HOCLYGCPSA-N 1 0 278.396 1.318 20 10 CDCDRO CN(Cc1cnn(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000816569540 930318141 /nfs/dbraw/zinc/31/81/41/930318141.db2.gz OSJBBGHOQBLNGX-UHFFFAOYSA-N 1 0 289.383 1.392 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)[C@@H](C)CO)c(O)c1 ZINC000816653963 930332744 /nfs/dbraw/zinc/33/27/44/930332744.db2.gz OLJHUFRFLYSNSR-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO CC[NH2+]CCN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817953295 930644734 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ZINC001144508900 931874845 /nfs/dbraw/zinc/87/48/45/931874845.db2.gz CLCXWQHFYPHJEZ-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO CC(=O)N1CCC([N@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144514604 931877885 /nfs/dbraw/zinc/87/78/85/931877885.db2.gz LVGIKPBGTMFHPD-UHFFFAOYSA-N 1 0 294.351 1.246 20 10 CDCDRO CN1CC[N@H+](Cc2c(O)cc(O)cc2O)C2(CCCC2)C1 ZINC001144515707 931881285 /nfs/dbraw/zinc/88/12/85/931881285.db2.gz FEBODXSRTFLFCG-UHFFFAOYSA-N 1 0 292.379 1.864 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]Cc2ccn(C)n2)c1O ZINC000846158085 931982036 /nfs/dbraw/zinc/98/20/36/931982036.db2.gz SBYGJYYYBYJLSY-JTQLQIEISA-N 1 0 261.325 1.985 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1O ZINC000846169447 931983977 /nfs/dbraw/zinc/98/39/77/931983977.db2.gz DPKYJKLEIMSUKS-GFCCVEGCSA-N 1 0 295.379 1.983 20 10 CDCDRO CC[C@@H](F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001121809520 937883197 /nfs/dbraw/zinc/88/31/97/937883197.db2.gz FURSUDSGXUBSHV-CHWSQXEVSA-N 1 0 267.348 1.617 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)F)cc1C ZINC001122516979 937938966 /nfs/dbraw/zinc/93/89/66/937938966.db2.gz KBSZUVFZFQWNIX-UHFFFAOYSA-N 1 0 282.359 1.958 20 10 CDCDRO C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)Cc1ccc(N)cc1 ZINC001157848710 938554953 /nfs/dbraw/zinc/55/49/53/938554953.db2.gz PFHJVSJBPBOBBE-WCQYABFASA-N 1 0 261.369 1.397 20 10 CDCDRO CN(C)Cc1c(F)cc(N2CC[C@@H]([NH3+])C2)cc1F ZINC001164288259 939447195 /nfs/dbraw/zinc/44/71/95/939447195.db2.gz NFVRNIXONNIRBX-SECBINFHSA-N 1 0 255.312 1.564 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c(O)c1 ZINC001203622056 939697072 /nfs/dbraw/zinc/69/70/72/939697072.db2.gz MXCDSGPODPHJOQ-INIZCTEOSA-N 1 0 290.363 1.503 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001203620638 939697414 /nfs/dbraw/zinc/69/74/14/939697414.db2.gz GQXGNBIEGLIFJV-XHDPSFHLSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c(O)c1 ZINC001203634850 939698778 /nfs/dbraw/zinc/69/87/78/939698778.db2.gz YASWYOOTSKDDBZ-UHFFFAOYSA-N 1 0 291.347 1.930 20 10 CDCDRO CN1C(=O)CCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203883206 939711346 /nfs/dbraw/zinc/71/13/46/939711346.db2.gz FXHMOQJBRHSONA-UHFFFAOYSA-N 1 0 290.363 1.685 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCC2OCCO2)cc1 ZINC001203937621 939715183 /nfs/dbraw/zinc/71/51/83/939715183.db2.gz HLWOXPTVPWGPTH-UHFFFAOYSA-N 1 0 264.369 1.947 20 10 CDCDRO COc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc(O)c1O ZINC001204343575 939757005 /nfs/dbraw/zinc/75/70/05/939757005.db2.gz UCGOOWYZEWMCNT-ZDUSSCGKSA-N 1 0 292.379 1.777 20 10 CDCDRO [NH3+][C@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@H]1F ZINC001204842773 939797640 /nfs/dbraw/zinc/79/76/40/939797640.db2.gz DHIJXDOIIBVOFA-ZJUUUORDSA-N 1 0 262.687 1.666 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cccc(C(F)(F)F)c2O)C[C@H]1O ZINC001205967534 939961674 /nfs/dbraw/zinc/96/16/74/939961674.db2.gz QHLWBYBTHMMJSZ-GHMZBOCLSA-N 1 0 290.285 1.305 20 10 CDCDRO CCn1ccc(-c2cnn(CC[NH+](C)C)c2)cc1=O ZINC001206367912 940027391 /nfs/dbraw/zinc/02/73/91/940027391.db2.gz LTGVHUPUNMFDEB-UHFFFAOYSA-N 1 0 260.341 1.293 20 10 CDCDRO COC[C@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1Cl ZINC001210531870 940697273 /nfs/dbraw/zinc/69/72/73/940697273.db2.gz ZKIMGVGNLXPACV-CQSZACIVSA-N 1 0 297.830 1.826 20 10 CDCDRO CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000400170745 940844010 /nfs/dbraw/zinc/84/40/10/940844010.db2.gz KPAYRHARRNQMMV-AAEUAGOBSA-N 1 0 298.408 1.467 20 10 CDCDRO Nc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C[NH3+])cc1 ZINC001221332740 941518162 /nfs/dbraw/zinc/51/81/62/941518162.db2.gz LRWKEFOVZNSTDV-KRWDZBQOSA-N 1 0 295.386 1.724 20 10 CDCDRO CC(C)N(C(=O)Cc1ccc(N)cc1)C(C)(C)C[NH3+] ZINC001221395140 941528811 /nfs/dbraw/zinc/52/88/11/941528811.db2.gz NNAKGVSECKAQLN-UHFFFAOYSA-N 1 0 263.385 1.786 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)cc1 ZINC001276958984 941734231 /nfs/dbraw/zinc/73/42/31/941734231.db2.gz XQDDUTQFXRHWFH-DOMZBBRYSA-N 1 0 259.353 1.202 20 10 CDCDRO C[N@@H+]1CCC[C@H](Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226463829 942009125 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CDCDRO COc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(O)cc1O ZINC001231636500 942951283 /nfs/dbraw/zinc/95/12/83/942951283.db2.gz XDFPQKVMOPZXEX-LBPRGKRZSA-N 1 0 294.351 1.207 20 10 CDCDRO COc1cc(CN(C)CC[NH+](C)C)c(O)cc1O ZINC001231635041 942951516 /nfs/dbraw/zinc/95/15/16/942951516.db2.gz UJXLWNUFEISRAP-UHFFFAOYSA-N 1 0 254.330 1.100 20 10 CDCDRO Cc1cc(C)c(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC001231841898 943024405 /nfs/dbraw/zinc/02/44/05/943024405.db2.gz GFGFENPVWILSSA-CQSZACIVSA-N 1 0 278.396 1.771 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)cc1Cl ZINC001231869083 943035312 /nfs/dbraw/zinc/03/53/12/943035312.db2.gz HYYNNTUYLJDVLF-NEPJUHHUSA-N 1 0 294.782 1.874 20 10 CDCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258916 943189845 /nfs/dbraw/zinc/18/98/45/943189845.db2.gz DEPZFRYAJKAEJH-CYBMUJFWSA-N 1 0 271.744 1.956 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001277660059 943254005 /nfs/dbraw/zinc/25/40/05/943254005.db2.gz OMOAHWDWRNCIAG-XHDPSFHLSA-N 1 0 276.336 1.150 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC001232834689 943413411 /nfs/dbraw/zinc/41/34/11/943413411.db2.gz JTOJIJSLBVBFMO-AWEZNQCLSA-N 1 0 264.369 1.805 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232838420 943415443 /nfs/dbraw/zinc/41/54/43/943415443.db2.gz FBZFBVLNASJNTJ-AWEZNQCLSA-N 1 0 291.395 1.559 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)c(O)c1 ZINC001232840087 943416182 /nfs/dbraw/zinc/41/61/82/943416182.db2.gz MJJYJWIZAXLUQB-ZDUSSCGKSA-N 1 0 293.386 1.686 20 10 CDCDRO CN(C)c1ccc(CN2CC(C)([NH+](C)C)C2)c(O)c1 ZINC001232840400 943416196 /nfs/dbraw/zinc/41/61/96/943416196.db2.gz WPQFKXVGUGRNEY-UHFFFAOYSA-N 1 0 263.385 1.594 20 10 CDCDRO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840585 943417218 /nfs/dbraw/zinc/41/72/18/943417218.db2.gz DEGOMKHZDJMRCC-GFCCVEGCSA-N 1 0 262.353 1.869 20 10 CDCDRO Oc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc(O)c1O ZINC001233015782 943464406 /nfs/dbraw/zinc/46/44/06/943464406.db2.gz ASIFOJNJNFSPEE-GXFFZTMASA-N 1 0 265.309 1.414 20 10 CDCDRO Oc1cc(CN2CC([NH+]3CCCCC3)C2)cc(O)c1O ZINC001233016781 943464510 /nfs/dbraw/zinc/46/45/10/943464510.db2.gz OCDPOHCXBDAJJL-UHFFFAOYSA-N 1 0 278.352 1.474 20 10 CDCDRO C[NH+]1CC2(CN(Cc3c(O)ccc(F)c3F)C2)C1 ZINC001233336457 943549175 /nfs/dbraw/zinc/54/91/75/943549175.db2.gz MGLSCBADMAHNFG-UHFFFAOYSA-N 1 0 254.280 1.418 20 10 CDCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482833 943591372 /nfs/dbraw/zinc/59/13/72/943591372.db2.gz DKOXEGNBWHMKKC-NSHDSACASA-N 1 0 267.325 1.804 20 10 CDCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486358 943593949 /nfs/dbraw/zinc/59/39/49/943593949.db2.gz KFLZTEIGVURVJK-SNVBAGLBSA-N 1 0 295.335 1.579 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001233485626 943594336 /nfs/dbraw/zinc/59/43/36/943594336.db2.gz DQXKFRVQUUIXTP-CMPLNLGQSA-N 1 0 278.352 1.329 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)cc1O)[C@H]1CCC2(C1)OCCO2 ZINC001233487069 943595254 /nfs/dbraw/zinc/59/52/54/943595254.db2.gz OBHIIOVAEOTLKD-NSHDSACASA-N 1 0 295.335 1.531 20 10 CDCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486779 943595678 /nfs/dbraw/zinc/59/56/78/943595678.db2.gz BJWCMJDYZHQLBK-LBPRGKRZSA-N 1 0 280.368 1.718 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC[C@@H]3COCO3)cc2)CC1 ZINC001234658215 943932045 /nfs/dbraw/zinc/93/20/45/943932045.db2.gz XRVAUCZUHBVCID-INIZCTEOSA-N 1 0 292.379 1.580 20 10 CDCDRO Oc1ccc(F)c(Cl)c1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235060047 944034377 /nfs/dbraw/zinc/03/43/77/944034377.db2.gz DRXVOTZBCMEHNS-AWEZNQCLSA-N 1 0 299.777 1.322 20 10 CDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000385975732 944095442 /nfs/dbraw/zinc/09/54/42/944095442.db2.gz QLRHWWDFOXRYIO-CQSZACIVSA-N 1 0 252.358 1.240 20 10 CDCDRO CC[C@H]1CN(Cc2ccc3c(c2)OCCN3C)CC[NH2+]1 ZINC001235729236 944261722 /nfs/dbraw/zinc/26/17/22/944261722.db2.gz CGOUACIISFDBJT-AWEZNQCLSA-N 1 0 275.396 1.699 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001236023251 944379625 /nfs/dbraw/zinc/37/96/25/944379625.db2.gz FXMDUKGYLDFQTF-CZUORRHYSA-N 1 0 291.370 1.195 20 10 CDCDRO COc1cc(O)c(CN(C)C[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC001236120810 944408969 /nfs/dbraw/zinc/40/89/69/944408969.db2.gz XMEWZMXBGPRJFR-NSHDSACASA-N 1 0 280.368 1.593 20 10 CDCDRO CN(C)c1ccc(CN(C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236121766 944409301 /nfs/dbraw/zinc/40/93/01/944409301.db2.gz BZAVHOJAPIHKIC-ZDUSSCGKSA-N 1 0 263.385 1.642 20 10 CDCDRO Oc1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236289791 944449252 /nfs/dbraw/zinc/44/92/52/944449252.db2.gz QLAVDYRDESPTAW-KOLCDFICSA-N 1 0 283.169 1.558 20 10 CDCDRO CCc1ccc(C[NH+]2CCN(C(N)=O)CC2)c(O)c1 ZINC001236785913 944568906 /nfs/dbraw/zinc/56/89/06/944568906.db2.gz ATIUQSKJMMSTLJ-UHFFFAOYSA-N 1 0 263.341 1.151 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236909532 944614621 /nfs/dbraw/zinc/61/46/21/944614621.db2.gz RXPUYMKOKPPADJ-LBPRGKRZSA-N 1 0 297.830 1.956 20 10 CDCDRO CCOc1ccc(CN2CC[NH+](CCCO)CC2)c(O)c1 ZINC001237049479 944647064 /nfs/dbraw/zinc/64/70/64/944647064.db2.gz GLUXKCAGZYPSCO-UHFFFAOYSA-N 1 0 294.395 1.291 20 10 CDCDRO COC[C@H]1COCC[N@@H+]1Cc1c(C)cccc1O ZINC001237495768 944817104 /nfs/dbraw/zinc/81/71/04/944817104.db2.gz VIVJAQLLTKYNGK-LBPRGKRZSA-N 1 0 251.326 1.548 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c(OC)c1 ZINC001237670624 944918878 /nfs/dbraw/zinc/91/88/78/944918878.db2.gz URXOQNSCCGOQFU-ZWNOBZJWSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)c(OC)c1 ZINC001237680835 944923347 /nfs/dbraw/zinc/92/33/47/944923347.db2.gz MDJXVLSOVJYFJV-LBPRGKRZSA-N 1 0 294.351 1.120 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237937380 945010315 /nfs/dbraw/zinc/01/03/15/945010315.db2.gz PJDZQILHBCEBRU-UHFFFAOYSA-N 1 0 274.723 1.753 20 10 CDCDRO CCn1ccc(-c2cnc(N3CC[NH2+]CC3)c(C)c2)cc1=O ZINC001239738640 945562834 /nfs/dbraw/zinc/56/28/34/945562834.db2.gz JALSZOOJTAWUBD-UHFFFAOYSA-N 1 0 298.390 1.648 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NCC(F)(F)F)c(O)c1 ZINC001262008404 946371524 /nfs/dbraw/zinc/37/15/24/946371524.db2.gz LFXAGJALBHVLAH-VIFPVBQESA-N 1 0 290.285 1.857 20 10 CDCDRO C[C@H]1C[C@H](NCC(=O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246290455 948084057 /nfs/dbraw/zinc/08/40/57/948084057.db2.gz MEEPGEWXCAIBGQ-GXSJLCMTSA-N 1 0 264.325 1.011 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001249178458 949440923 /nfs/dbraw/zinc/44/09/23/949440923.db2.gz RSZWSDCAGAKTHW-BETUJISGSA-N 1 0 261.321 1.559 20 10 CDCDRO C[C@H]1CC[N@H+](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001325051480 953699853 /nfs/dbraw/zinc/69/98/53/953699853.db2.gz SAQNCTNTHINSFQ-FHMRSRPSSA-N 1 0 290.363 1.569 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCCC[NH3+])c1 ZINC001325681735 954024551 /nfs/dbraw/zinc/02/45/51/954024551.db2.gz NYVOWEIJGYLFCP-JTQLQIEISA-N 1 0 281.356 1.500 20 10 CDCDRO C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001327840615 955071662 /nfs/dbraw/zinc/07/16/62/955071662.db2.gz PWAADGDUJKOXOR-NXEZZACHSA-N 1 0 267.329 1.807 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(=O)NC ZINC001328758501 955460515 /nfs/dbraw/zinc/46/05/15/955460515.db2.gz HBNUGCLPCXWSEW-NSHDSACASA-N 1 0 270.760 1.968 20 10 CDCDRO C[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1 ZINC001303989400 956144591 /nfs/dbraw/zinc/14/45/91/956144591.db2.gz OKVXOGLRRHXQCU-HZRUHFOJSA-N 1 0 290.363 1.567 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308369081 956523336 /nfs/dbraw/zinc/52/33/36/956523336.db2.gz GZFLEISUYVQNNW-XTZNXHDOSA-N 1 0 272.389 1.748 20 10 CDCDRO CN1CC[C@](O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001320217323 959012342 /nfs/dbraw/zinc/01/23/42/959012342.db2.gz DMBRVZXUWARSMB-KRWDZBQOSA-N 1 0 289.423 1.443 20 10 CDCDRO Nc1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC001335285319 959684196 /nfs/dbraw/zinc/68/41/96/959684196.db2.gz MZLWSRBGHHDOGO-UHFFFAOYSA-N 1 0 275.396 1.565 20 10 CDCDRO Nc1ccc(CNC(=O)NC2CC3(CC([NH3+])C3)C2)cc1 ZINC001335724090 959993275 /nfs/dbraw/zinc/99/32/75/959993275.db2.gz GBDOHIAWJRQWQH-UHFFFAOYSA-N 1 0 274.368 1.338 20 10 CDCDRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001336974940 960798089 /nfs/dbraw/zinc/79/80/89/960798089.db2.gz FOWHUGULRXNTHN-SNVBAGLBSA-N 1 0 250.346 1.195 20 10 CDCDRO CN1CCCc2cc(CNC(=O)NCCCC[NH3+])ccc21 ZINC001345129122 964588690 /nfs/dbraw/zinc/58/86/90/964588690.db2.gz IWUOZAXJCBMRNX-UHFFFAOYSA-N 1 0 290.411 1.607 20 10 CDCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345189562 964627670 /nfs/dbraw/zinc/62/76/70/964627670.db2.gz AIWHAICUXDUHIO-DLBZAZTESA-N 1 0 292.423 1.898 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccc(N(C)C)cc1 ZINC001347648642 965638169 /nfs/dbraw/zinc/63/81/69/965638169.db2.gz UKFBUWPWSFXVHR-RISCZKNCSA-N 1 0 277.368 1.854 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001577172271 1171614124 /nfs/dbraw/zinc/61/41/24/1171614124.db2.gz RVKJPJJYFRDAIJ-SMDDNHRTSA-N 1 0 263.385 1.928 20 10 CDCDRO Nc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000019267284 1171896422 /nfs/dbraw/zinc/89/64/22/1171896422.db2.gz SHVNBCCEHUNWKM-UHFFFAOYSA-N 1 0 269.352 1.381 20 10 CDCDRO COCC[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000093005445 342422895 /nfs/dbraw/zinc/42/28/95/342422895.db2.gz KMIYSWYPOUWKDE-UHFFFAOYSA-N 1 0 252.358 1.193 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000092189094 342407642 /nfs/dbraw/zinc/40/76/42/342407642.db2.gz SUOQLLVDLHHTLL-AWEZNQCLSA-N 1 0 289.379 1.690 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1F ZINC000270295334 282289708 /nfs/dbraw/zinc/28/97/08/282289708.db2.gz ACAUKLXZQFODFC-LBPRGKRZSA-N 1 0 293.386 1.898 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000066887923 347545947 /nfs/dbraw/zinc/54/59/47/347545947.db2.gz GIUDYZPVFYUGAF-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO CSC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180787289 357289135 /nfs/dbraw/zinc/28/91/35/357289135.db2.gz IQJWBXCGIYFIRN-GFCCVEGCSA-N 1 0 259.346 1.735 20 10 CDCDRO Oc1ccc(F)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000226565317 359700312 /nfs/dbraw/zinc/70/03/12/359700312.db2.gz PYGYLXRUJFHHSE-GXFFZTMASA-N 1 0 250.317 1.715 20 10 CDCDRO CCOc1cccc(C[NH+]2CC(C(C)(C)O)C2)c1O ZINC000297525881 200219800 /nfs/dbraw/zinc/21/98/00/200219800.db2.gz YRELASXBMJGDME-UHFFFAOYSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000235437378 361088500 /nfs/dbraw/zinc/08/85/00/361088500.db2.gz HQOGSXGXQHOMQC-CYBMUJFWSA-N 1 0 252.289 1.229 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000237151309 361440953 /nfs/dbraw/zinc/44/09/53/361440953.db2.gz SSVXBZSXZAYLEH-NSHDSACASA-N 1 0 275.352 1.088 20 10 CDCDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000275563189 363880788 /nfs/dbraw/zinc/88/07/88/363880788.db2.gz NYSKWAWGMZBFOK-HOCLYGCPSA-N 1 0 299.374 1.975 20 10 CDCDRO COCC1(O)CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271160755 364952822 /nfs/dbraw/zinc/95/28/22/364952822.db2.gz DHGMWQJVCPHYTG-UHFFFAOYSA-N 1 0 296.386 1.865 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1 ZINC000271169079 364957375 /nfs/dbraw/zinc/95/73/75/364957375.db2.gz DECONDGEYGIQKN-CYBMUJFWSA-N 1 0 278.352 1.453 20 10 CDCDRO O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3O)CC2)N1 ZINC000271874994 365003140 /nfs/dbraw/zinc/00/31/40/365003140.db2.gz NRWPVLBPXBPSET-UHFFFAOYSA-N 1 0 289.335 1.003 20 10 CDCDRO C[N@@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272378152 365212406 /nfs/dbraw/zinc/21/24/06/365212406.db2.gz FIEUYUJERDZFQX-OGOUPESXSA-N 1 0 276.336 1.179 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccccc1O ZINC000272879867 365430104 /nfs/dbraw/zinc/43/01/04/365430104.db2.gz QJWLOSXRTNEXMX-IINYFYTJSA-N 1 0 261.325 1.510 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000273752160 365521926 /nfs/dbraw/zinc/52/19/26/365521926.db2.gz NROAEEHDJNCIBK-LLVKDONJSA-N 1 0 298.770 1.717 20 10 CDCDRO COCCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273442851 365496644 /nfs/dbraw/zinc/49/66/44/365496644.db2.gz YXLJQJRZJYNWEK-SNVBAGLBSA-N 1 0 284.312 1.614 20 10 CDCDRO COCCCn1nccc1C[NH2+]Cc1ccccc1O ZINC000282551325 367938469 /nfs/dbraw/zinc/93/84/69/367938469.db2.gz COKHLRBTCRNOCJ-UHFFFAOYSA-N 1 0 275.352 1.915 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cc(C)c(C)cc1O ZINC000282890881 368088928 /nfs/dbraw/zinc/08/89/28/368088928.db2.gz ZHXNTZVGTDQFNX-UHFFFAOYSA-N 1 0 267.369 1.840 20 10 CDCDRO Cc1cc(C[N@@H+]2CCCN(C(N)=O)CC2)ccc1N(C)C ZINC000293021382 370486638 /nfs/dbraw/zinc/48/66/38/370486638.db2.gz IGECDSPLOVXRIC-UHFFFAOYSA-N 1 0 290.411 1.647 20 10 CDCDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000295118780 371133451 /nfs/dbraw/zinc/13/34/51/371133451.db2.gz MVLBXJJXDMTCEO-LBPRGKRZSA-N 1 0 264.325 1.665 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NCCF ZINC000296246976 371676399 /nfs/dbraw/zinc/67/63/99/371676399.db2.gz BAPSIAWLFKZQKX-MWLCHTKSSA-N 1 0 266.316 1.443 20 10 CDCDRO Cc1cc(Cl)cc(C[NH+]2CC(CC(N)=O)C2)c1O ZINC000297423024 371989201 /nfs/dbraw/zinc/98/92/01/371989201.db2.gz NPGLSDRLTHOIHA-UHFFFAOYSA-N 1 0 268.744 1.661 20 10 CDCDRO CC[N@H+](CCOC)Cc1cc2c(cc1O)OCO2 ZINC000109745936 390648661 /nfs/dbraw/zinc/64/86/61/390648661.db2.gz DKYOIBMEZNJMLA-UHFFFAOYSA-N 1 0 253.298 1.589 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000162031213 390670253 /nfs/dbraw/zinc/67/02/53/390670253.db2.gz QWSPNTCIWRUZCD-LBPRGKRZSA-N 1 0 278.352 1.631 20 10 CDCDRO CC(C)[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1 ZINC000093054398 390899302 /nfs/dbraw/zinc/89/93/02/390899302.db2.gz CETIEJGSYTZVAP-HNNXBMFYSA-N 1 0 275.396 1.709 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000153756381 390905577 /nfs/dbraw/zinc/90/55/77/390905577.db2.gz ALBNWSVUAOMLLE-VIFPVBQESA-N 1 0 259.733 1.533 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000219140528 391049374 /nfs/dbraw/zinc/04/93/74/391049374.db2.gz NCGJPLSGEUFZMG-ZDUSSCGKSA-N 1 0 253.342 1.491 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000176752895 391157384 /nfs/dbraw/zinc/15/73/84/391157384.db2.gz WYRJIFAWKQBXGU-ZDUSSCGKSA-N 1 0 269.366 1.358 20 10 CDCDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710865 391190476 /nfs/dbraw/zinc/19/04/76/391190476.db2.gz MRMBSBADUYBABU-HNNXBMFYSA-N 1 0 275.396 1.886 20 10 CDCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000181564026 391224549 /nfs/dbraw/zinc/22/45/49/391224549.db2.gz APPMSNDQBILNHS-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO COc1cc(O)c(CN2CCCC[C@@H]2C(N)=O)cc1OC ZINC000179581560 391213211 /nfs/dbraw/zinc/21/32/11/391213211.db2.gz HCRDVLCNOVTZKA-LLVKDONJSA-N 1 0 294.351 1.249 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183603772 391266848 /nfs/dbraw/zinc/26/68/48/391266848.db2.gz KDDVITJQDGTOOH-QWRGUYRKSA-N 1 0 271.382 1.866 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237167816 391280341 /nfs/dbraw/zinc/28/03/41/391280341.db2.gz ICVHSCPWBVQEPN-ZDUSSCGKSA-N 1 0 278.352 1.119 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000227706743 392043706 /nfs/dbraw/zinc/04/37/06/392043706.db2.gz FPRDJWDRBLWEFT-SECBINFHSA-N 1 0 259.733 1.797 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000662753541 413434274 /nfs/dbraw/zinc/43/42/74/413434274.db2.gz SUZXALYFQJBYAC-GFCCVEGCSA-N 1 0 277.368 1.476 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCN2CCCC2)c1 ZINC000020127096 171011884 /nfs/dbraw/zinc/01/18/84/171011884.db2.gz QIHPOCASINPTBY-UHFFFAOYSA-N 1 0 250.342 1.586 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1=CCCOC1 ZINC000126737984 260356831 /nfs/dbraw/zinc/35/68/31/260356831.db2.gz QXKRBOMZOOTLGX-UHFFFAOYSA-N 1 0 288.391 1.960 20 10 CDCDRO CC[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1O ZINC000157914373 261155580 /nfs/dbraw/zinc/15/55/80/261155580.db2.gz JRPBJFOPCLGIJM-LBPRGKRZSA-N 1 0 288.351 1.586 20 10 CDCDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166473565 261390324 /nfs/dbraw/zinc/39/03/24/261390324.db2.gz BKSNKHGIOIRLJI-HNNXBMFYSA-N 1 0 275.396 1.669 20 10 CDCDRO COC(=O)N1CC([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000186137409 262081029 /nfs/dbraw/zinc/08/10/29/262081029.db2.gz REFHJNCIYLCQRH-VIFPVBQESA-N 1 0 280.324 1.502 20 10 CDCDRO C[C@H]([NH2+]CC1(CO)COC1)c1cc(Cl)ccc1O ZINC000186146036 262082099 /nfs/dbraw/zinc/08/20/99/262082099.db2.gz MHQJPVTZKSCTQH-VIFPVBQESA-N 1 0 271.744 1.705 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000186177536 262082950 /nfs/dbraw/zinc/08/29/50/262082950.db2.gz QZFPMJNHPZFZAQ-RNCFNFMXSA-N 1 0 271.744 1.848 20 10 CDCDRO CCOc1ccc(O)c(CN(C)Cc2nncn2C)c1 ZINC000289954027 263113556 /nfs/dbraw/zinc/11/35/56/263113556.db2.gz BRNVCUQRSHISRC-UHFFFAOYSA-N 1 0 276.340 1.551 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000369676207 267260073 /nfs/dbraw/zinc/26/00/73/267260073.db2.gz MTSSDOPHJTYJDP-OAHLLOKOSA-N 1 0 263.337 1.748 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296409290 289739328 /nfs/dbraw/zinc/73/93/28/289739328.db2.gz KUESNOZDRRGGON-CINOJJQCSA-N 1 0 253.367 1.736 20 10 CDCDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000294710551 328282694 /nfs/dbraw/zinc/28/26/94/328282694.db2.gz BHVGVAVHHLNHSP-GJZGRUSLSA-N 1 0 275.396 1.562 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CCO)C(C)C)c1 ZINC000224869531 329244814 /nfs/dbraw/zinc/24/48/14/329244814.db2.gz YNZCEWSERDBXSR-ZDUSSCGKSA-N 1 0 253.342 1.897 20 10 CDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000227968755 329332225 /nfs/dbraw/zinc/33/22/25/329332225.db2.gz HIJWZYUALRXZMT-NOZJJQNGSA-N 1 0 271.744 1.675 20 10 CDCDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@H+](C)C1CC1 ZINC000167336019 331308203 /nfs/dbraw/zinc/30/82/03/331308203.db2.gz XVRKEKZJPUGJRX-LLVKDONJSA-N 1 0 261.369 1.410 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000228065149 333294001 /nfs/dbraw/zinc/29/40/01/333294001.db2.gz QRKQBANJTJYEED-YWPYICTPSA-N 1 0 265.353 1.891 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2)c2c1c(F)ccc2O ZINC000530222008 333528826 /nfs/dbraw/zinc/52/88/26/333528826.db2.gz FLKUPMQSUGYZLY-SCVCMEIPSA-N 1 0 280.343 1.658 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565039856 334535578 /nfs/dbraw/zinc/53/55/78/334535578.db2.gz HSEHYNKCUGKROG-PHIMTYICSA-N 1 0 275.352 1.215 20 10 CDCDRO CC1CC[NH+](CCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276576125 521014612 /nfs/dbraw/zinc/01/46/12/521014612.db2.gz NXYFZDCOGAAYLX-UHFFFAOYSA-N 1 0 296.342 1.699 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278178646 521872607 /nfs/dbraw/zinc/87/26/07/521872607.db2.gz GQNKDOFZLXGSQF-SNVBAGLBSA-N 1 0 282.296 1.266 20 10 CDCDRO CC[C@@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]C1 ZINC000370842031 523693664 /nfs/dbraw/zinc/69/36/64/523693664.db2.gz CKEWWXIEHYBWGE-MRXNPFEDSA-N 1 0 293.386 1.898 20 10 CDCDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000036990356 524072230 /nfs/dbraw/zinc/07/22/30/524072230.db2.gz DCYBEEDZEILBJQ-GFCCVEGCSA-N 1 0 291.395 1.253 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000131016627 524865284 /nfs/dbraw/zinc/86/52/84/524865284.db2.gz TVAOGNJOCVOOGP-UGZDLDLSSA-N 1 0 285.365 1.320 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@]2(CCO)CCOC2)cc1C ZINC000278501805 525323112 /nfs/dbraw/zinc/32/31/12/525323112.db2.gz OBZWALVBFPIURF-HNNXBMFYSA-N 1 0 265.353 1.640 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC2(O)CCOCC2)c1 ZINC000083552382 525345963 /nfs/dbraw/zinc/34/59/63/525345963.db2.gz ZXRJFWGOLXZNHS-UHFFFAOYSA-N 1 0 251.326 1.332 20 10 CDCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1cc(F)ccc1O ZINC000094617635 525361214 /nfs/dbraw/zinc/36/12/14/525361214.db2.gz XEYJUSAXXCSQPU-QMMMGPOBSA-N 1 0 261.318 1.227 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000262569851 527480835 /nfs/dbraw/zinc/48/08/35/527480835.db2.gz BUHLOYVYBGMUCU-GXTWGEPZSA-N 1 0 261.369 1.445 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000726797827 574506530 /nfs/dbraw/zinc/50/65/30/574506530.db2.gz ZDFAIQWXQPWJPG-NSHDSACASA-N 1 0 264.325 1.111 20 10 CDCDRO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774377102 575201826 /nfs/dbraw/zinc/20/18/26/575201826.db2.gz PXVBRYZMOZTAPF-LLVKDONJSA-N 1 0 297.355 1.529 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000732258307 575084395 /nfs/dbraw/zinc/08/43/95/575084395.db2.gz RMDDXFYHPPTWSL-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO CC[N@@H+]1CCC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000732279226 575086228 /nfs/dbraw/zinc/08/62/28/575086228.db2.gz LTLCKNYHYSSXCB-SNVBAGLBSA-N 1 0 268.382 1.915 20 10 CDCDRO COCC1=CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000774647471 575223803 /nfs/dbraw/zinc/22/38/03/575223803.db2.gz SCJVSPOWBVYGNW-OAHLLOKOSA-N 1 0 291.347 1.597 20 10 CDCDRO COCCOC[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769508459 575353631 /nfs/dbraw/zinc/35/36/31/575353631.db2.gz QQWFGLYIOBTYRG-ZDUSSCGKSA-N 1 0 295.379 1.886 20 10 CDCDRO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000769544595 575358581 /nfs/dbraw/zinc/35/85/81/575358581.db2.gz YYEZNRBNEHACCX-MRXNPFEDSA-N 1 0 294.370 1.619 20 10 CDCDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770510504 575458557 /nfs/dbraw/zinc/45/85/57/575458557.db2.gz MVYDPYRXVMJJBE-CQSZACIVSA-N 1 0 274.364 1.979 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)CCNC(=O)N(C)C)cc1 ZINC000773825034 575839860 /nfs/dbraw/zinc/83/98/60/575839860.db2.gz WKBFEZBAHKVSSF-UHFFFAOYSA-N 1 0 292.427 1.846 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000769333975 576347249 /nfs/dbraw/zinc/34/72/49/576347249.db2.gz MAZQDKHPMCQJTF-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCOC2)c1O ZINC000754726165 576912500 /nfs/dbraw/zinc/91/25/00/576912500.db2.gz FDGMZYNJSOXWPK-LBPRGKRZSA-N 1 0 251.326 1.930 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(C)ccc1O ZINC000757926493 577061425 /nfs/dbraw/zinc/06/14/25/577061425.db2.gz MAIIHPIALJMDFY-HNNXBMFYSA-N 1 0 281.352 1.758 20 10 CDCDRO C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000892001418 617399641 /nfs/dbraw/zinc/39/96/41/617399641.db2.gz VIAXPHOMHYMKKE-NWDGAFQWSA-N 1 0 277.368 1.752 20 10 CDCDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000892475447 617403800 /nfs/dbraw/zinc/40/38/00/617403800.db2.gz HVTMKJVCOYBESW-NSHDSACASA-N 1 0 250.342 1.794 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892126867 617495947 /nfs/dbraw/zinc/49/59/47/617495947.db2.gz JYDYGQMGEVWSBN-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H]1O ZINC000892242297 617573528 /nfs/dbraw/zinc/57/35/28/617573528.db2.gz PPCKTEROVREHOT-ZYHUDNBSSA-N 1 0 281.352 1.612 20 10 CDCDRO CCn1c(CC[NH3+])nnc1Sc1nccs1 ZINC000892785251 617745873 /nfs/dbraw/zinc/74/58/73/617745873.db2.gz FEPXUFABHBAJCN-UHFFFAOYSA-N 1 0 255.372 1.407 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000892792206 617753321 /nfs/dbraw/zinc/75/33/21/617753321.db2.gz RJGAULLTXAKTLR-PWSUYJOCSA-N 1 0 269.366 1.305 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000894175543 618659618 /nfs/dbraw/zinc/65/96/18/618659618.db2.gz BDYFLKSEXTVCMC-ZDUSSCGKSA-N 1 0 294.395 1.520 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000840823168 618676191 /nfs/dbraw/zinc/67/61/91/618676191.db2.gz VLZFJXRXKIOMIG-JTQLQIEISA-N 1 0 296.342 1.477 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCO1 ZINC000894593713 618985772 /nfs/dbraw/zinc/98/57/72/618985772.db2.gz ATSRGEYXRKVFAJ-UONOGXRCSA-N 1 0 295.379 1.993 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(=O)NC ZINC000894790189 619055582 /nfs/dbraw/zinc/05/55/82/619055582.db2.gz LPQNDJWIDDLJFO-JTQLQIEISA-N 1 0 282.340 1.024 20 10 CDCDRO COCC1(C)C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894839073 619089855 /nfs/dbraw/zinc/08/98/55/619089855.db2.gz AUIGHSULIQUQRV-UHFFFAOYSA-N 1 0 281.352 1.878 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COCO2)cc1 ZINC000894868718 619110993 /nfs/dbraw/zinc/11/09/93/619110993.db2.gz KKARKPFRJYSVLG-OAHLLOKOSA-N 1 0 264.369 1.995 20 10 CDCDRO Cc1nnc([C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)[nH]1 ZINC000895008220 619205632 /nfs/dbraw/zinc/20/56/32/619205632.db2.gz TZEBHIGSNRADJB-JTQLQIEISA-N 1 0 276.315 1.947 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)C2(CO)CC2)c1O ZINC000895356793 619601016 /nfs/dbraw/zinc/60/10/16/619601016.db2.gz CTRPEEDTOHFZQF-UHFFFAOYSA-N 1 0 251.326 1.666 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)[C@H]1OC ZINC000895581821 619744563 /nfs/dbraw/zinc/74/45/63/619744563.db2.gz SSRHXIZNGIWGIZ-BPLDGKMQSA-N 1 0 265.353 1.983 20 10 CDCDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCOC2)N(C)C)cc1 ZINC000898451295 621742097 /nfs/dbraw/zinc/74/20/97/621742097.db2.gz WXWDXCPBXXBMKD-GOEBONIOSA-N 1 0 277.412 1.734 20 10 CDCDRO CCC[C@](C)([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000904918365 626362002 /nfs/dbraw/zinc/36/20/02/626362002.db2.gz IPPHNHXHOREUAM-INIZCTEOSA-N 1 0 291.395 1.996 20 10 CDCDRO CCOc1ccc(O)c(CNC[C@H]2C[NH2+]CCCO2)c1 ZINC000841085525 628209828 /nfs/dbraw/zinc/20/98/28/628209828.db2.gz GDHFAEOXYMXTIL-CQSZACIVSA-N 1 0 280.368 1.259 20 10 CDCDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910955477 629117508 /nfs/dbraw/zinc/11/75/08/629117508.db2.gz FXIWHKSHHSZKBN-ZDUSSCGKSA-N 1 0 292.379 1.836 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000157059362 630582363 /nfs/dbraw/zinc/58/23/63/630582363.db2.gz QDBOHDACQMQRDL-ZDUSSCGKSA-N 1 0 283.393 1.791 20 10 CDCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)COCC1CC1 ZINC000921630774 633107578 /nfs/dbraw/zinc/10/75/78/633107578.db2.gz CYCCBYNKODHBJQ-INIZCTEOSA-N 1 0 291.391 1.889 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CNc1ccccc1OC ZINC000037874573 1165805126 /nfs/dbraw/zinc/80/51/26/1165805126.db2.gz GYWVZMGHJGSEAN-GFCCVEGCSA-N 1 0 252.358 1.810 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126368062 1165986116 /nfs/dbraw/zinc/98/61/16/1165986116.db2.gz AJDWQDXNUWGJQY-JTQLQIEISA-N 1 0 266.341 1.558 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000877617949 1166066878 /nfs/dbraw/zinc/06/68/78/1166066878.db2.gz AHTWWWPMEYKBLA-NSHDSACASA-N 1 0 272.352 1.476 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC[NH2+]1 ZINC001573876476 1170813665 /nfs/dbraw/zinc/81/36/65/1170813665.db2.gz HJAXLKBWLCLMNV-INIZCTEOSA-N 1 0 287.407 1.997 20 10 CDCDRO COc1cc(C)c(CN2CC[NH2+]C(C)(C)C2)c(O)c1 ZINC001579145015 1172105816 /nfs/dbraw/zinc/10/58/16/1172105816.db2.gz RVDNPRGXKPBMHF-UHFFFAOYSA-N 1 0 264.369 1.893 20 10 CDCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001580175915 1172369506 /nfs/dbraw/zinc/36/95/06/1172369506.db2.gz JTTNVVUOIDWYMA-RWMBFGLXSA-N 1 0 290.363 1.226 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N2C[C@H](C)[NH2+][C@@H](C)C2)cc1OC ZINC000213809808 1175803116 /nfs/dbraw/zinc/80/31/16/1175803116.db2.gz HFKYQWUGJQFPCD-UWVGGRQHSA-N 1 0 295.339 1.799 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(O)CCOC1 ZINC000230669443 1178154775 /nfs/dbraw/zinc/15/47/75/1178154775.db2.gz WZHLHSKQORVMIY-WQGACYEGSA-N 1 0 277.364 1.990 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877573059 735161490 /nfs/dbraw/zinc/16/14/90/735161490.db2.gz KZZDMMGXUOXECQ-HNNXBMFYSA-N 1 0 265.353 1.531 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)c(O)c1 ZINC000396763467 735178555 /nfs/dbraw/zinc/17/85/55/735178555.db2.gz KQHSTKPIQPHQRS-NSHDSACASA-N 1 0 264.325 1.159 20 10 CDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000776868587 735357971 /nfs/dbraw/zinc/35/79/71/735357971.db2.gz IQXHETLBPIKTFF-XNRPHZJLSA-N 1 0 295.379 1.863 20 10 CDCDRO C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)N1CC[NH+](C)CC1 ZINC000886524890 735405223 /nfs/dbraw/zinc/40/52/23/735405223.db2.gz STLUZRJZKQLECJ-OLZOCXBDSA-N 1 0 295.402 1.818 20 10 CDCDRO c1cc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc2c1OCC2 ZINC000817418926 735410953 /nfs/dbraw/zinc/41/09/53/735410953.db2.gz LFCPUGJARWJQEB-CYBMUJFWSA-N 1 0 285.351 1.103 20 10 CDCDRO C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cc(F)ccc1O ZINC000854232090 735422426 /nfs/dbraw/zinc/42/24/26/735422426.db2.gz LJFGJXNISQEYOA-QMMMGPOBSA-N 1 0 292.314 1.336 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000305976478 735583806 /nfs/dbraw/zinc/58/38/06/735583806.db2.gz ZYCJBVDTAAZOJJ-LLVKDONJSA-N 1 0 259.733 1.533 20 10 CDCDRO CC(C)([NH3+])CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831128 735550431 /nfs/dbraw/zinc/55/04/31/735550431.db2.gz CAHOSHUFMHZUBO-UHFFFAOYSA-N 1 0 288.395 1.599 20 10 CDCDRO NC(=O)C[N@H+](Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000132991603 735508687 /nfs/dbraw/zinc/50/86/87/735508687.db2.gz DKGVWKKSTQLIEH-UHFFFAOYSA-N 1 0 292.335 1.351 20 10 CDCDRO Cc1cccc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1O ZINC000822529256 735744983 /nfs/dbraw/zinc/74/49/83/735744983.db2.gz BPCDZZNPYYNGLO-UHFFFAOYSA-N 1 0 289.379 1.690 20 10 CDCDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846167273 735768801 /nfs/dbraw/zinc/76/88/01/735768801.db2.gz VXAAJMYYSNWFAT-OPGSHWCFSA-N 1 0 295.379 1.981 20 10 CDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000876911135 735802191 /nfs/dbraw/zinc/80/21/91/735802191.db2.gz VYJCYIQQKSKLCS-UUSVCDRXSA-N 1 0 290.363 1.429 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000846172287 735829076 /nfs/dbraw/zinc/82/90/76/735829076.db2.gz KNHYEYQUTNTXLU-SNVBAGLBSA-N 1 0 299.392 1.629 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000930160586 735840602 /nfs/dbraw/zinc/84/06/02/735840602.db2.gz SCMVVLNQQAIOPP-CJNGLKHVSA-N 1 0 276.380 1.336 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000779203707 735845507 /nfs/dbraw/zinc/84/55/07/735845507.db2.gz HRGPNBSFLUZCAL-CMPLNLGQSA-N 1 0 278.352 1.487 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CCn2ccnc2)cc1 ZINC000844401387 735934620 /nfs/dbraw/zinc/93/46/20/735934620.db2.gz MYIRDNVXGXPHEU-UHFFFAOYSA-N 1 0 288.395 1.960 20 10 CDCDRO C[C@H](O)C1([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000827585379 735947674 /nfs/dbraw/zinc/94/76/74/735947674.db2.gz HJCRZAHNVYZZIV-JTQLQIEISA-N 1 0 252.333 1.895 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC2CC[NH+](C)CC2)c1 ZINC000858272404 736085986 /nfs/dbraw/zinc/08/59/86/736085986.db2.gz IDKPSGKWXSPXFQ-UHFFFAOYSA-N 1 0 277.368 1.594 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(N(C)C)n2C)c1 ZINC000858239784 736333592 /nfs/dbraw/zinc/33/35/92/736333592.db2.gz TWHVDRYHBUDREL-UHFFFAOYSA-N 1 0 274.368 1.790 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCOCCO ZINC000840938123 736341112 /nfs/dbraw/zinc/34/11/12/736341112.db2.gz XVRSDJCKWDMQKK-UHFFFAOYSA-N 1 0 266.385 1.550 20 10 CDCDRO CC[C@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000096478676 733180174 /nfs/dbraw/zinc/18/01/74/733180174.db2.gz UXHUHXGESJJZBR-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO CN(Cc1ccccc1O)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000722273062 733191575 /nfs/dbraw/zinc/19/15/75/733191575.db2.gz PRPMTVOVUKWLIN-UHFFFAOYSA-N 1 0 298.408 1.153 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)c2c1c(F)ccc2O ZINC000858601079 733288926 /nfs/dbraw/zinc/28/89/26/733288926.db2.gz BJFPSVWJTNVURJ-NTZNESFSSA-N 1 0 294.370 1.736 20 10 CDCDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000839191857 733368928 /nfs/dbraw/zinc/36/89/28/733368928.db2.gz KVNOTZNPPIMPQC-PWSUYJOCSA-N 1 0 265.309 1.778 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000832495873 733407199 /nfs/dbraw/zinc/40/71/99/733407199.db2.gz ITBCLFAORLIPMU-JKOXKOMZSA-N 1 0 290.363 1.710 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c(O)c1 ZINC000877590000 733417945 /nfs/dbraw/zinc/41/79/45/733417945.db2.gz VOTVSQJREAWZMG-KBPBESRZSA-N 1 0 265.353 1.578 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000724889853 733432779 /nfs/dbraw/zinc/43/27/79/733432779.db2.gz QLWFVHJOAGIQEI-GAJTVXKRSA-N 1 0 269.316 1.986 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)cccc3OC)C[C@@H]21 ZINC000814172833 733434907 /nfs/dbraw/zinc/43/49/07/733434907.db2.gz AWPIKBCFMLFPCX-MSRIBSCDSA-N 1 0 277.320 1.252 20 10 CDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877424333 733469258 /nfs/dbraw/zinc/46/92/58/733469258.db2.gz JAWMVDVEXPXNBG-GOEBONIOSA-N 1 0 295.379 1.611 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1ccccc1O ZINC000877255964 733483289 /nfs/dbraw/zinc/48/32/89/733483289.db2.gz LFBOZOWYTFGUJE-VXGBXAGGSA-N 1 0 262.353 1.959 20 10 CDCDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000930210518 733486853 /nfs/dbraw/zinc/48/68/53/733486853.db2.gz NEBBMKSCNHNQEK-GFCCVEGCSA-N 1 0 279.340 1.451 20 10 CDCDRO COCCCNC(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC000876551200 733501788 /nfs/dbraw/zinc/50/17/88/733501788.db2.gz MZVZFOLGXHZNCX-UHFFFAOYSA-N 1 0 280.368 1.285 20 10 CDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819122173 733505640 /nfs/dbraw/zinc/50/56/40/733505640.db2.gz RZAYCPAJVGIGEU-ZDUSSCGKSA-N 1 0 296.386 1.647 20 10 CDCDRO CSC[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274584 733545012 /nfs/dbraw/zinc/54/50/12/733545012.db2.gz WBCFGSBHODQTTH-BXUZGUMPSA-N 1 0 295.452 1.868 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCOC2)c(O)c1OC ZINC000892567745 733551503 /nfs/dbraw/zinc/55/15/03/733551503.db2.gz VKUCIZLWHPPTKD-SNVBAGLBSA-N 1 0 267.325 1.536 20 10 CDCDRO Cc1noc(C2C[NH+](Cc3c(C)cccc3O)C2)n1 ZINC000877580135 733572869 /nfs/dbraw/zinc/57/28/69/733572869.db2.gz NJJIMYBSEVXMHU-UHFFFAOYSA-N 1 0 259.309 1.991 20 10 CDCDRO COCC(C)(C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839479590 733607084 /nfs/dbraw/zinc/60/70/84/733607084.db2.gz NCFDSNGPOOVCHZ-UHFFFAOYSA-N 1 0 293.411 1.383 20 10 CDCDRO CCOCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097781 733623886 /nfs/dbraw/zinc/62/38/86/733623886.db2.gz MEQGJZVMEAIPNF-HNNXBMFYSA-N 1 0 293.411 1.508 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c(O)c1 ZINC000793281707 733634418 /nfs/dbraw/zinc/63/44/18/733634418.db2.gz UPBGILAFYAWAOS-UHFFFAOYSA-N 1 0 299.392 1.458 20 10 CDCDRO CC[NH+]1CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000022444504 733647220 /nfs/dbraw/zinc/64/72/20/733647220.db2.gz QGRFQQUADWOXLY-UHFFFAOYSA-N 1 0 280.368 1.547 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(C)cc(OC)c1O ZINC000163818081 733694903 /nfs/dbraw/zinc/69/49/03/733694903.db2.gz PKKSVRDIZITIKF-UHFFFAOYSA-N 1 0 283.368 1.804 20 10 CDCDRO CN1CC[C@@H](N2CCCc3cc(C[NH3+])ccc32)C1=O ZINC000700969370 733721203 /nfs/dbraw/zinc/72/12/03/733721203.db2.gz LVQKYGMSAQXAHU-CQSZACIVSA-N 1 0 259.353 1.129 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000794709220 733733120 /nfs/dbraw/zinc/73/31/20/733733120.db2.gz DWWSZSWECBAXJV-OAHLLOKOSA-N 1 0 262.353 1.706 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(N(C)C)cc1 ZINC000840808875 733740366 /nfs/dbraw/zinc/74/03/66/733740366.db2.gz YBODVUQQMLKTEP-WFASDCNBSA-N 1 0 289.383 1.056 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000824702891 733769440 /nfs/dbraw/zinc/76/94/40/733769440.db2.gz SNFNFNDHIHORTR-OLZOCXBDSA-N 1 0 279.336 1.832 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000856073374 733814351 /nfs/dbraw/zinc/81/43/51/733814351.db2.gz OIBNBQIDUKOTRI-VIFPVBQESA-N 1 0 254.355 1.668 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)CCO)cc1Cn1cccn1 ZINC000873057471 733824602 /nfs/dbraw/zinc/82/46/02/733824602.db2.gz SCLXSGULRRFDFX-ZDUSSCGKSA-N 1 0 289.379 1.801 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000775374472 733826044 /nfs/dbraw/zinc/82/60/44/733826044.db2.gz CDJHVMJTEOUXBU-AAEUAGOBSA-N 1 0 295.379 1.839 20 10 CDCDRO C[NH+]1CCC(CC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000813490559 733826389 /nfs/dbraw/zinc/82/63/89/733826389.db2.gz LDKZYNZWAFYIJO-UHFFFAOYSA-N 1 0 278.352 1.446 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1ccccc1O ZINC000877255872 733835537 /nfs/dbraw/zinc/83/55/37/733835537.db2.gz JBTJXIMWSUZDSS-WZRBSPASSA-N 1 0 262.353 1.958 20 10 CDCDRO CC(C)[C@@H](C(=O)NCc1ccccc1O)[C@@H](C)[NH3+] ZINC000399493199 733876217 /nfs/dbraw/zinc/87/62/17/733876217.db2.gz HJQRMHBVWILEEA-ZWNOBZJWSA-N 1 0 250.342 1.628 20 10 CDCDRO C[C@H](C[NH3+])NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841881645 733911221 /nfs/dbraw/zinc/91/12/21/733911221.db2.gz UCASCIIOKIVGPI-GHMZBOCLSA-N 1 0 264.373 1.460 20 10 CDCDRO COCC(COC)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922162721 733974197 /nfs/dbraw/zinc/97/41/97/733974197.db2.gz IOXZIPXZWAUYFB-UHFFFAOYSA-N 1 0 265.353 1.763 20 10 CDCDRO CO[C@H](C[NH3+])CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000232115530 733997798 /nfs/dbraw/zinc/99/77/98/733997798.db2.gz WZGVWPWINCBZFB-AWEZNQCLSA-N 1 0 279.384 1.075 20 10 CDCDRO CCOC[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819063981 734015924 /nfs/dbraw/zinc/01/59/24/734015924.db2.gz REPSQAOPGCVERP-JTQLQIEISA-N 1 0 276.427 1.612 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000775368805 734030942 /nfs/dbraw/zinc/03/09/42/734030942.db2.gz GHTPJORSRMOWBH-QWHCGFSZSA-N 1 0 294.395 1.508 20 10 CDCDRO COCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000828960313 734043414 /nfs/dbraw/zinc/04/34/14/734043414.db2.gz TXIVPMHYDGSNAJ-CJNGLKHVSA-N 1 0 296.411 1.427 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000827131778 734054479 /nfs/dbraw/zinc/05/44/79/734054479.db2.gz CFFULGLZQBHZPN-FZMZJTMJSA-N 1 0 290.363 1.501 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000846140147 734062583 /nfs/dbraw/zinc/06/25/83/734062583.db2.gz HKHAOUSXGREETN-STQMWFEESA-N 1 0 294.395 1.772 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COCCN2)cc1 ZINC000863484075 734108084 /nfs/dbraw/zinc/10/80/84/734108084.db2.gz SUVJAULKBYZTBL-OAHLLOKOSA-N 1 0 277.412 1.611 20 10 CDCDRO CS(=O)(=O)CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000063015265 734119719 /nfs/dbraw/zinc/11/97/19/734119719.db2.gz IPYZAJBSUXCXCG-UHFFFAOYSA-N 1 0 282.409 1.333 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CCSC)c(O)c1 ZINC000832177613 734218070 /nfs/dbraw/zinc/21/80/70/734218070.db2.gz BVSWBPDVWLYKBR-NSHDSACASA-N 1 0 284.381 1.097 20 10 CDCDRO CSC[C@H](CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877052069 734237326 /nfs/dbraw/zinc/23/73/26/734237326.db2.gz RBXWHILDMIRUTJ-LBPRGKRZSA-N 1 0 255.383 1.904 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000824926448 734240428 /nfs/dbraw/zinc/24/04/28/734240428.db2.gz NRDPKNZYHQWKCM-BETUJISGSA-N 1 0 294.395 1.288 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H](C[NH3+])C2)c1O ZINC000843347919 734315609 /nfs/dbraw/zinc/31/56/09/734315609.db2.gz YEDILQGCUQDQCX-LLVKDONJSA-N 1 0 280.343 1.905 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1O ZINC000824710525 734324553 /nfs/dbraw/zinc/32/45/53/734324553.db2.gz ZWLFAXRRSSPEGN-IUODEOHRSA-N 1 0 295.379 1.932 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779516745 734336476 /nfs/dbraw/zinc/33/64/76/734336476.db2.gz HJGNLMKFJGNYAK-VURMDHGXSA-N 1 0 292.379 1.959 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000841655350 734394602 /nfs/dbraw/zinc/39/46/02/734394602.db2.gz RISFWQXKPQTOOK-AWEZNQCLSA-N 1 0 290.411 1.694 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCc2nnc3ccccn32)c1 ZINC000314265454 734395296 /nfs/dbraw/zinc/39/52/96/734395296.db2.gz ZGHXEXOZPTYTFL-UHFFFAOYSA-N 1 0 298.346 1.776 20 10 CDCDRO C[C@@H](NC(=O)NCCC[NH+](C)C)c1ccccc1O ZINC000867980964 734464288 /nfs/dbraw/zinc/46/42/88/734464288.db2.gz DLOPLWNEADMKTH-LLVKDONJSA-N 1 0 265.357 1.704 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000397279722 734477464 /nfs/dbraw/zinc/47/74/64/734477464.db2.gz HJSGSEMHVRPLHY-CQSZACIVSA-N 1 0 251.326 1.917 20 10 CDCDRO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000037041688 734500533 /nfs/dbraw/zinc/50/05/33/734500533.db2.gz RCWNOUUSTAXRBZ-UHFFFAOYSA-N 1 0 275.396 1.800 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000702566583 734529635 /nfs/dbraw/zinc/52/96/35/734529635.db2.gz JWVHRPAEGDBOGW-XJKSGUPXSA-N 1 0 277.412 1.470 20 10 CDCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000842227178 734641065 /nfs/dbraw/zinc/64/10/65/734641065.db2.gz RSLGWBPRTIPZRR-UKRRQHHQSA-N 1 0 284.375 1.503 20 10 CDCDRO C[C@H](NC1C[NH2+]C1)c1ccc(Br)cc1O ZINC000817956267 734659187 /nfs/dbraw/zinc/65/91/87/734659187.db2.gz VFLWVCGPNPSDQO-ZETCQYMHSA-N 1 0 271.158 1.777 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1O ZINC000190050876 734666230 /nfs/dbraw/zinc/66/62/30/734666230.db2.gz FJSQIGRGRFPAFQ-KOLCDFICSA-N 1 0 265.309 1.324 20 10 CDCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000842227179 734674940 /nfs/dbraw/zinc/67/49/40/734674940.db2.gz RSLGWBPRTIPZRR-ZFWWWQNUSA-N 1 0 284.375 1.503 20 10 CDCDRO Cc1cccc(C[NH2+]CCCN(C)S(C)(=O)=O)c1O ZINC000709600766 734728544 /nfs/dbraw/zinc/72/85/44/734728544.db2.gz CLTUVQJUBBVKDL-UHFFFAOYSA-N 1 0 286.397 1.072 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840092921 734730131 /nfs/dbraw/zinc/73/01/31/734730131.db2.gz YZPVLGIVBPNFOX-WFASDCNBSA-N 1 0 292.379 1.344 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1 ZINC000817411794 734766400 /nfs/dbraw/zinc/76/64/00/734766400.db2.gz ZSTKUXJWBHKQPO-HAQNSBGRSA-N 1 0 292.379 1.782 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000841955600 734782247 /nfs/dbraw/zinc/78/22/47/734782247.db2.gz HTOGYZPBZQOYHB-LLVKDONJSA-N 1 0 286.326 1.093 20 10 CDCDRO CCC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988762 734797130 /nfs/dbraw/zinc/79/71/30/734797130.db2.gz ZASCADMLFSJWFF-GHMZBOCLSA-N 1 0 250.342 1.958 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1C ZINC000312019927 734799296 /nfs/dbraw/zinc/79/92/96/734799296.db2.gz KTKYDNFVGZCUBR-DGCLKSJQSA-N 1 0 283.393 1.669 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(O)c1 ZINC000876767122 734843330 /nfs/dbraw/zinc/84/33/30/734843330.db2.gz BLUWTEKKJZWNAA-OAHLLOKOSA-N 1 0 290.407 1.855 20 10 CDCDRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1c([O-])cccc1F ZINC000886629556 734961379 /nfs/dbraw/zinc/96/13/79/734961379.db2.gz IBXBLDANAMYOSZ-JTQLQIEISA-N 1 0 278.331 1.943 20 10 CDCDRO NC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816521329 735069118 /nfs/dbraw/zinc/06/91/18/735069118.db2.gz MPOQVLQCYDTMJC-MRVPVSSYSA-N 1 0 287.722 1.427 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841944069 735140765 /nfs/dbraw/zinc/14/07/65/735140765.db2.gz VMEAXDDWRQWYGS-HNNXBMFYSA-N 1 0 292.427 1.877 20 10 CDCDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841059232 735154748 /nfs/dbraw/zinc/15/47/48/735154748.db2.gz NQUDPRAMTGFBHB-YOEHRIQHSA-N 1 0 289.423 1.611 20 10 CDCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C ZINC000781001862 735167053 /nfs/dbraw/zinc/16/70/53/735167053.db2.gz QMVMLMUJYBWVGH-NWDGAFQWSA-N 1 0 292.379 1.961 20 10 CDCDRO Oc1ccccc1C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000876996119 735168709 /nfs/dbraw/zinc/16/87/09/735168709.db2.gz PIXUSOUVOCXBSF-UHFFFAOYSA-N 1 0 272.304 1.848 20 10 CDCDRO O[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000720946100 735168770 /nfs/dbraw/zinc/16/87/70/735168770.db2.gz CPUGVZXUVFCYNU-FZNQNYSPSA-N 1 0 276.380 1.384 20 10 CDCDRO Cc1ccc(C[NH2+]Cc2ccnc(N(C)C)n2)c(O)c1 ZINC000877136259 735175683 /nfs/dbraw/zinc/17/56/83/735175683.db2.gz AIFJVMKNRFMERD-UHFFFAOYSA-N 1 0 272.352 1.846 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000840945635 735177019 /nfs/dbraw/zinc/17/70/19/735177019.db2.gz RULURFFZPCIBPS-CYBMUJFWSA-N 1 0 275.396 1.758 20 10 CDCDRO CCN(CC[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861557206 735178328 /nfs/dbraw/zinc/17/83/28/735178328.db2.gz MLEYIJXSNKUGDM-UHFFFAOYSA-N 1 0 290.411 1.777 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCOC3)cc2)CC1 ZINC000850405849 735194099 /nfs/dbraw/zinc/19/40/99/735194099.db2.gz HKWBAAXTIDPBQU-OAHLLOKOSA-N 1 0 290.407 1.774 20 10 CDCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000783739028 735197385 /nfs/dbraw/zinc/19/73/85/735197385.db2.gz DUBNCNZKHIAYEL-RNCFNFMXSA-N 1 0 253.729 1.860 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000780787245 735249862 /nfs/dbraw/zinc/24/98/62/735249862.db2.gz TWOHPQDKDGQOPD-MNOVXSKESA-N 1 0 251.326 1.604 20 10 CDCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@H]1CN(C)CCO1 ZINC000129235230 735266804 /nfs/dbraw/zinc/26/68/04/735266804.db2.gz QTOJDDIYJIVVAU-QMTHXVAHSA-N 1 0 284.787 1.854 20 10 CDCDRO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045716 735278909 /nfs/dbraw/zinc/27/89/09/735278909.db2.gz OTJMIFVVWQPSAE-TUKIKUTGSA-N 1 0 263.385 1.519 20 10 CDCDRO C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000848637932 735643357 /nfs/dbraw/zinc/64/33/57/735643357.db2.gz NQAFENIAAOJRCH-CYBMUJFWSA-N 1 0 291.395 1.249 20 10 CDCDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000877674638 735656216 /nfs/dbraw/zinc/65/62/16/735656216.db2.gz NXOVPUJXXIHMPL-CQSZACIVSA-N 1 0 262.353 1.883 20 10 CDCDRO OCCCN1CCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000824559037 735675325 /nfs/dbraw/zinc/67/53/25/735675325.db2.gz CYRPWUWBDDSILJ-LBPRGKRZSA-N 1 0 298.814 1.982 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@H]2COCCO2)c1O ZINC000827140322 735748585 /nfs/dbraw/zinc/74/85/85/735748585.db2.gz JZUSNYRZRIMXPJ-LBPRGKRZSA-N 1 0 267.325 1.248 20 10 CDCDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1O ZINC000783533498 735811029 /nfs/dbraw/zinc/81/10/29/735811029.db2.gz RHQFQKPEQHBUAS-FZMZJTMJSA-N 1 0 265.353 1.830 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(C)cc1O ZINC000840802354 735837287 /nfs/dbraw/zinc/83/72/87/735837287.db2.gz IBZQLQGRAWXZJK-GXTWGEPZSA-N 1 0 290.367 1.394 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1C ZINC000817418974 735951245 /nfs/dbraw/zinc/95/12/45/735951245.db2.gz MVBUZQBSIXAUKY-ZDUSSCGKSA-N 1 0 287.367 1.485 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c1 ZINC000817983588 735964518 /nfs/dbraw/zinc/96/45/18/735964518.db2.gz OMOJXNAITSHTFS-PWSUYJOCSA-N 1 0 266.341 1.040 20 10 CDCDRO [O-]c1c(Br)cccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783735851 736158595 /nfs/dbraw/zinc/15/85/95/736158595.db2.gz TZRQZFUATBMHES-GXFFZTMASA-N 1 0 298.180 1.969 20 10 CDCDRO COc1cccc(C[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846108008 736196220 /nfs/dbraw/zinc/19/62/20/736196220.db2.gz ARQOWXPPACAEFK-HNNXBMFYSA-N 1 0 281.352 1.422 20 10 CDCDRO COC(=O)C1(C)C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000822534893 736300504 /nfs/dbraw/zinc/30/05/04/736300504.db2.gz ZYBXSMHGCFVYPL-UHFFFAOYSA-N 1 0 265.309 1.396 20 10 CDCDRO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000037187863 1165762122 /nfs/dbraw/zinc/76/21/22/1165762122.db2.gz NYFWQRIZAHLLIL-AWEZNQCLSA-N 1 0 294.420 1.564 20 10 CDCDRO C[C@@H](Cc1ccco1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258170237 1167429811 /nfs/dbraw/zinc/42/98/11/1167429811.db2.gz AOJSNSDIOKFCMC-ZUZCIYMTSA-N 1 0 277.320 1.945 20 10 CDCDRO CN(CCC[NH+](C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233010152 912670730 /nfs/dbraw/zinc/67/07/30/912670730.db2.gz MALVPFIRENYGRG-UHFFFAOYSA-N 1 0 254.330 1.187 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c1O ZINC001140747982 898170358 /nfs/dbraw/zinc/17/03/58/898170358.db2.gz QCIUVSJABWXHLE-TZMCWYRMSA-N 1 0 276.380 1.932 20 10 CDCDRO Nc1ccc(CC(=O)NC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001219780088 899434421 /nfs/dbraw/zinc/43/44/21/899434421.db2.gz QYOYAEHMUMJNPX-UHFFFAOYSA-N 1 0 273.380 1.460 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+]Cc1ccccc1O ZINC000692784216 900177916 /nfs/dbraw/zinc/17/79/16/900177916.db2.gz KNEDMOYDHOHVNO-UHFFFAOYSA-N 1 0 257.355 1.307 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992043 914502825 /nfs/dbraw/zinc/50/28/25/914502825.db2.gz PZBUQJRBDMVYHO-DOMZBBRYSA-N 1 0 261.369 1.381 20 10 CDCDRO O=C1CC[C@@H]2C[C@@H]([NH2+]Cc3cccc(O)c3O)CCN12 ZINC001172164991 911410505 /nfs/dbraw/zinc/41/05/05/911410505.db2.gz LRBIBFMZFJAZJA-NWDGAFQWSA-N 1 0 276.336 1.341 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)c1O ZINC001172164465 911411751 /nfs/dbraw/zinc/41/17/51/911411751.db2.gz ZUHNQZDEPRIAFM-KGLIPLIRSA-N 1 0 274.364 1.944 20 10 CDCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000228067978 911824596 /nfs/dbraw/zinc/82/45/96/911824596.db2.gz PDOQTSNHYNCBNU-UONOGXRCSA-N 1 0 278.396 1.772 20 10 CDCDRO CCOc1cccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1O ZINC001206404578 916058014 /nfs/dbraw/zinc/05/80/14/916058014.db2.gz MIQZLTFZELPQME-RYUDHWBXSA-N 1 0 268.332 1.662 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1OC ZINC001206445254 916924671 /nfs/dbraw/zinc/92/46/71/916924671.db2.gz NXTNVCMKCXTGRF-WDEREUQCSA-N 1 0 284.331 1.281 20 10 CDCDRO COc1cccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1O ZINC000070075097 917123137 /nfs/dbraw/zinc/12/31/37/917123137.db2.gz ITTXLYKMEHBXKF-QWRGUYRKSA-N 1 0 250.342 1.583 20 10 CDCDRO C[NH+](C)CCC(C)(C)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182155408 917693210 /nfs/dbraw/zinc/69/32/10/917693210.db2.gz HQIAMMZJCRGPFA-UHFFFAOYSA-N 1 0 294.395 1.877 20 10 CDCDRO CN1CC[C@@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272903016 920012067 /nfs/dbraw/zinc/01/20/67/920012067.db2.gz JSNURMAHPHNWRF-HNNXBMFYSA-N 1 0 276.336 1.152 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)Cc1nccnc1N ZINC001140012570 936668100 /nfs/dbraw/zinc/66/81/00/936668100.db2.gz QTSZTRYNFBLOTE-UHFFFAOYSA-N 1 0 258.325 1.787 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)N1 ZINC001140060202 936675382 /nfs/dbraw/zinc/67/53/82/936675382.db2.gz PETHVBGGGRXMKY-UHFFFAOYSA-N 1 0 279.315 1.179 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@](C)(O)C2)c1O ZINC001140178601 936684488 /nfs/dbraw/zinc/68/44/88/936684488.db2.gz QGWSYRCARMBTJS-HNNXBMFYSA-N 1 0 265.353 1.592 20 10 CDCDRO COC(C[N@H+](C)Cc1ccc(O)c(C)c1O)OC ZINC001140747423 936749000 /nfs/dbraw/zinc/74/90/00/936749000.db2.gz CIBKSWVHEBAOFT-UHFFFAOYSA-N 1 0 255.314 1.457 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CC3(CSC3)C2)c1O ZINC001140749454 936749504 /nfs/dbraw/zinc/74/95/04/936749504.db2.gz ALBXQIFMASTMED-UHFFFAOYSA-N 1 0 251.351 1.955 20 10 CDCDRO Cc1c(O)ccc(CN2CCn3nccc3C2)c1O ZINC001140749862 936749756 /nfs/dbraw/zinc/74/97/56/936749756.db2.gz OLKOUIRHJCZCRM-UHFFFAOYSA-N 1 0 259.309 1.619 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749718 936749769 /nfs/dbraw/zinc/74/97/69/936749769.db2.gz KNXLCIAUSFLEDL-CYBMUJFWSA-N 1 0 278.352 1.459 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](CC)CCC(N)=O)c(O)c1 ZINC001140855186 936764653 /nfs/dbraw/zinc/76/46/53/936764653.db2.gz QPKICCLERATGHQ-UHFFFAOYSA-N 1 0 293.411 1.936 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c(O)c1 ZINC001140948086 936782228 /nfs/dbraw/zinc/78/22/28/936782228.db2.gz SAVNVQXJMZCHLR-AWEZNQCLSA-N 1 0 277.364 1.816 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c(OC)c1 ZINC001141031711 936795548 /nfs/dbraw/zinc/79/55/48/936795548.db2.gz IRJPNJFLTGRBGP-NXEZZACHSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CCC2OCCO2)c(OC)c1 ZINC001141028884 936794026 /nfs/dbraw/zinc/79/40/26/936794026.db2.gz DMBYCXHIFUQQRX-UHFFFAOYSA-N 1 0 297.351 1.604 20 10 CDCDRO CN1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1=O ZINC001141162345 936823165 /nfs/dbraw/zinc/82/31/65/936823165.db2.gz QGESRDCDMHZLNR-UHFFFAOYSA-N 1 0 290.363 1.542 20 10 CDCDRO O=C1CC[N@@H+](Cc2cc(O)ccc2O)C[C@@H]2CCCN12 ZINC001141162917 936823861 /nfs/dbraw/zinc/82/38/61/936823861.db2.gz KKKIGMQDXJWLLE-LBPRGKRZSA-N 1 0 276.336 1.295 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001168986143 927567422 /nfs/dbraw/zinc/56/74/22/927567422.db2.gz WPGNLNWRIZDPFR-MNOVXSKESA-N 1 0 266.297 1.633 20 10 CDCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001169449241 928040520 /nfs/dbraw/zinc/04/05/20/928040520.db2.gz QEKMZJVTTDXIOG-NSHDSACASA-N 1 0 280.368 1.834 20 10 CDCDRO CN(c1ccc([C@@H]2CCC(=O)N2)cc1)C(C)(C)C[NH3+] ZINC001170060572 929254203 /nfs/dbraw/zinc/25/42/03/929254203.db2.gz RQOPIMHVRSEHBP-ZDUSSCGKSA-N 1 0 261.369 1.811 20 10 CDCDRO OC[C@@]1([C@@H]([NH2+]Cc2ccccc2O)C2CC2)CCCO1 ZINC000816667106 930333705 /nfs/dbraw/zinc/33/37/05/930333705.db2.gz CMRSCMJDLWFJIT-JKSUJKDBSA-N 1 0 277.364 1.802 20 10 CDCDRO CN1CCO[C@]2(CCC[N@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001275419327 931782963 /nfs/dbraw/zinc/78/29/63/931782963.db2.gz UWBVLUAIGBBGED-MRXNPFEDSA-N 1 0 292.379 1.394 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@]1(C)O ZINC001144504374 931865164 /nfs/dbraw/zinc/86/51/64/931865164.db2.gz RHLFCZIEIBPQAH-BONVTDFDSA-N 1 0 281.352 1.786 20 10 CDCDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2c(O)cc(O)cc2O)C1 ZINC001144515384 931878413 /nfs/dbraw/zinc/87/84/13/931878413.db2.gz MEEDMRGWRXMVCQ-NSHDSACASA-N 1 0 280.368 1.718 20 10 CDCDRO CN(C)c1ccc(CN2[C@H]3COC[C@@H]2C[N@H+](C)C3)cc1 ZINC001275833170 932076393 /nfs/dbraw/zinc/07/63/93/932076393.db2.gz AROHGOVLEMPAEJ-IYBDPMFKSA-N 1 0 275.396 1.267 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c(OC)c1 ZINC001276193734 932626909 /nfs/dbraw/zinc/62/69/09/932626909.db2.gz HMVXJFOXNVBYGP-SMDDNHRTSA-N 1 0 292.379 1.545 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 ZINC001148218823 932669835 /nfs/dbraw/zinc/66/98/35/932669835.db2.gz MNRKJHVMDWEQOT-JQWIXIFHSA-N 1 0 276.336 1.264 20 10 CDCDRO Nc1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001120592158 937815017 /nfs/dbraw/zinc/81/50/17/937815017.db2.gz QJPCNCBSVLUWAB-CFVMTHIKSA-N 1 0 288.395 1.538 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[NH+]1CCC(CO)CC1 ZINC001120617261 937817874 /nfs/dbraw/zinc/81/78/74/937817874.db2.gz GUOHXJSVIGRJRL-UHFFFAOYSA-N 1 0 292.379 1.055 20 10 CDCDRO CC[C@@H]1[C@@H](C(=O)NCc2c(O)cccc2O)CC[N@@H+]1C ZINC001156885764 938428855 /nfs/dbraw/zinc/42/88/55/938428855.db2.gz NUSYCNTVSRCPSR-CMPLNLGQSA-N 1 0 278.352 1.444 20 10 CDCDRO COC(=O)c1cc(N2CC[C@@H]([NH3+])C2)c(N(C)C)cc1OC ZINC001164280931 939445334 /nfs/dbraw/zinc/44/53/34/939445334.db2.gz MCQUFOAKZIFAFV-SNVBAGLBSA-N 1 0 293.367 1.085 20 10 CDCDRO CCOC(=O)/C=C/c1ccc(N2CC[C@H]([NH3+])C2)c(F)c1 ZINC001164286905 939447190 /nfs/dbraw/zinc/44/71/90/939447190.db2.gz ZBQHKVBGJKDLBQ-FUEXJSSKSA-N 1 0 278.327 1.939 20 10 CDCDRO C[N@H+](C1CN(Cc2ccccc2O)C1)[C@@H]1CCOC1 ZINC001203556589 939693126 /nfs/dbraw/zinc/69/31/26/939693126.db2.gz UXHLDFCNYXLXIJ-CYBMUJFWSA-N 1 0 262.353 1.297 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC001203601577 939695283 /nfs/dbraw/zinc/69/52/83/939695283.db2.gz BFJIHESAPSZNJK-LBPRGKRZSA-N 1 0 295.335 1.165 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2O)CC1 ZINC001203620767 939697349 /nfs/dbraw/zinc/69/73/49/939697349.db2.gz HSIPTBISCHYLBC-UHFFFAOYSA-N 1 0 294.351 1.675 20 10 CDCDRO Oc1ccc(CN2CCC([NH+]3CCC3)CC2)c(O)c1 ZINC001204281787 939752371 /nfs/dbraw/zinc/75/23/71/939752371.db2.gz JIXWJNJJVMTVKK-UHFFFAOYSA-N 1 0 262.353 1.768 20 10 CDCDRO COc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc(O)c1O ZINC001204342030 939756971 /nfs/dbraw/zinc/75/69/71/939756971.db2.gz ITNANXIDDIUEOR-LBPRGKRZSA-N 1 0 278.352 1.386 20 10 CDCDRO COc1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc(O)c1O ZINC001204345722 939758096 /nfs/dbraw/zinc/75/80/96/939758096.db2.gz VYAIUFFPKPKULH-CYBMUJFWSA-N 1 0 292.379 1.777 20 10 CDCDRO COc1cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)cc(O)c1O ZINC001204351070 939759673 /nfs/dbraw/zinc/75/96/73/939759673.db2.gz MQIJCTSOTXJNSA-NEPJUHHUSA-N 1 0 291.347 1.907 20 10 CDCDRO COc1cc(O)c(CN2CC(C)([NH3+])C2)c(Cl)c1 ZINC001204994397 939812253 /nfs/dbraw/zinc/81/22/53/939812253.db2.gz WZQYYSIDBDESGY-UHFFFAOYSA-N 1 0 256.733 1.587 20 10 CDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc(Cl)cc2O)C1 ZINC001206423174 940036774 /nfs/dbraw/zinc/03/67/74/940036774.db2.gz KBMSQFBHFXMVJV-GHMZBOCLSA-N 1 0 258.724 1.917 20 10 CDCDRO O[C@H]1C[C@@H](COc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218435145 941219201 /nfs/dbraw/zinc/21/92/01/941219201.db2.gz LKBGOXOPCBWMRZ-XBXGTLAGSA-N 1 0 262.353 1.246 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001329966305 941468244 /nfs/dbraw/zinc/46/82/44/941468244.db2.gz LSSPRPHQRLFJHZ-MRVPVSSYSA-N 1 0 271.311 1.384 20 10 CDCDRO COc1cc(C[N@H+](C)CCc2noc(C)n2)c(O)cc1O ZINC001231633867 942949378 /nfs/dbraw/zinc/94/93/78/942949378.db2.gz BEMJVHNBTDETBJ-UHFFFAOYSA-N 1 0 293.323 1.472 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(O)cc1O ZINC001231635075 942951590 /nfs/dbraw/zinc/95/15/90/942951590.db2.gz VGTXVJAMCLUOHF-MNOVXSKESA-N 1 0 285.315 1.401 20 10 CDCDRO COc1cc(C[N@H+](C)C2CCOCC2)c(O)cc1O ZINC001231635327 942952118 /nfs/dbraw/zinc/95/21/18/942952118.db2.gz WRSYWFFLYVCNEK-UHFFFAOYSA-N 1 0 267.325 1.717 20 10 CDCDRO COc1cc(CN2CC(C)([NH+](C)C)C2)c(O)cc1O ZINC001231638205 942954287 /nfs/dbraw/zinc/95/42/87/942954287.db2.gz WJTISICHSXYPOM-UHFFFAOYSA-N 1 0 266.341 1.242 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N3CC=CC3)C2)c(O)c1 ZINC001277569120 943020205 /nfs/dbraw/zinc/02/02/05/943020205.db2.gz VHNSXEVNZLBBSJ-OAHLLOKOSA-N 1 0 298.386 1.921 20 10 CDCDRO Cc1cc(C)c(C[N@@H+](C)CC(=O)N(C)C)c(O)c1 ZINC001231845511 943027083 /nfs/dbraw/zinc/02/70/83/943027083.db2.gz NRKYIJKKTYKZCT-UHFFFAOYSA-N 1 0 250.342 1.529 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001231855360 943031834 /nfs/dbraw/zinc/03/18/34/943031834.db2.gz RIKFPIXJPXKMRU-XJKSGUPXSA-N 1 0 289.423 1.897 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@](C)(O)C2)cc1Cl ZINC001231866769 943037288 /nfs/dbraw/zinc/03/72/88/943037288.db2.gz DRRDELLVPRTLFV-AWEZNQCLSA-N 1 0 285.771 1.937 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cc1Cl ZINC001232262811 943194063 /nfs/dbraw/zinc/19/40/63/943194063.db2.gz RGDCFAPOQBIMLO-ISVAXAHUSA-N 1 0 269.728 1.972 20 10 CDCDRO CN(C)CC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232834798 943413397 /nfs/dbraw/zinc/41/33/97/943413397.db2.gz MZUOEZGTTYQWCG-UHFFFAOYSA-N 1 0 251.374 1.452 20 10 CDCDRO CN(C)c1ccc(CN2CCC([NH+](C)C)CC2)c(O)c1 ZINC001232834756 943413405 /nfs/dbraw/zinc/41/34/05/943413405.db2.gz LPZKPSRIXNQUIN-UHFFFAOYSA-N 1 0 277.412 1.984 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CCc3nncn3CC2)c(O)c1 ZINC001232836954 943413748 /nfs/dbraw/zinc/41/37/48/943413748.db2.gz XKNWFNJRWGAQPX-UHFFFAOYSA-N 1 0 287.367 1.108 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CC[C@@H]1O ZINC001232836636 943414065 /nfs/dbraw/zinc/41/40/65/943414065.db2.gz SDWWKWPZFQSRFG-FZMZJTMJSA-N 1 0 264.369 1.661 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CC[C@H]1O ZINC001232836635 943414524 /nfs/dbraw/zinc/41/45/24/943414524.db2.gz SDWWKWPZFQSRFG-BXUZGUMPSA-N 1 0 264.369 1.661 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(C)O ZINC001233010887 943461565 /nfs/dbraw/zinc/46/15/65/943461565.db2.gz WKSJYBQCDRRVMR-MEBBXXQBSA-N 1 0 281.352 1.786 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1O ZINC001233011148 943462389 /nfs/dbraw/zinc/46/23/89/943462389.db2.gz ZOFNIPHPCQGWAU-GXSJLCMTSA-N 1 0 267.325 1.396 20 10 CDCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]2C1 ZINC001233015854 943464548 /nfs/dbraw/zinc/46/45/48/943464548.db2.gz HEJCGPVTQSQBML-STQMWFEESA-N 1 0 292.379 1.577 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](C)C1 ZINC001233017932 943466419 /nfs/dbraw/zinc/46/64/19/943466419.db2.gz MMGUIMQBFYLMHA-GXSJLCMTSA-N 1 0 267.325 1.803 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233486893 943595543 /nfs/dbraw/zinc/59/55/43/943595543.db2.gz HJNSFQJMEMVNGV-JQWIXIFHSA-N 1 0 278.352 1.329 20 10 CDCDRO COc1cc(C)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235049045 944022488 /nfs/dbraw/zinc/02/24/88/944022488.db2.gz QAYJLMZJHXOACN-UONOGXRCSA-N 1 0 262.353 1.645 20 10 CDCDRO Cc1cc(F)cc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235173993 944078457 /nfs/dbraw/zinc/07/84/57/944078457.db2.gz MIXPXJKPDMWRDG-SMDDNHRTSA-N 1 0 250.317 1.763 20 10 CDCDRO COc1ccc2c(c1)c1c(n2C)CCN(C[C@H](C)[NH3+])C1 ZINC001235839185 944293793 /nfs/dbraw/zinc/29/37/93/944293793.db2.gz LTRDQPBERGZFNI-NSHDSACASA-N 1 0 273.380 1.892 20 10 CDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977672 944343595 /nfs/dbraw/zinc/34/35/95/944343595.db2.gz HDUCSXCNUHQPSZ-RDJZCZTQSA-N 1 0 287.407 1.446 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1OC ZINC001235988441 944351818 /nfs/dbraw/zinc/35/18/18/944351818.db2.gz HWTWHCWOTCHJLS-NHYWBVRUSA-N 1 0 278.352 1.333 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1OC ZINC001236750324 944558199 /nfs/dbraw/zinc/55/81/99/944558199.db2.gz QYZXOESMIQQJAM-ZWNOBZJWSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)cc1OC ZINC001236751784 944559007 /nfs/dbraw/zinc/55/90/07/944559007.db2.gz JMIJLYNZJBWNQX-PHIMTYICSA-N 1 0 291.347 1.820 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1ccc(CC)cc1O ZINC001236783537 944566255 /nfs/dbraw/zinc/56/62/55/944566255.db2.gz LSBCRNPOEXLWTD-UHFFFAOYSA-N 1 0 250.342 1.523 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC001236793700 944570836 /nfs/dbraw/zinc/57/08/36/944570836.db2.gz DZVSFSMVEHGXNR-MRXNPFEDSA-N 1 0 290.407 1.861 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c(O)c1 ZINC001236808117 944575272 /nfs/dbraw/zinc/57/52/72/944575272.db2.gz MRRJUKDBBDQCPQ-MRXNPFEDSA-N 1 0 290.363 1.421 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001237037869 944642900 /nfs/dbraw/zinc/64/29/00/944642900.db2.gz AAMHTLPTFVVQJH-OCCSQVGLSA-N 1 0 269.316 1.696 20 10 CDCDRO COc1cc(C[NH+]2CC3(CSC3)C2)c(O)c(OC)c1 ZINC001237682502 944920719 /nfs/dbraw/zinc/92/07/19/944920719.db2.gz ADXLVMSBQGJPIJ-UHFFFAOYSA-N 1 0 281.377 1.958 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001237681724 944924489 /nfs/dbraw/zinc/92/44/89/944924489.db2.gz PYWUZLXBVQRGDR-JQWIXIFHSA-N 1 0 271.744 1.139 20 10 CDCDRO Nc1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC001262488031 946682922 /nfs/dbraw/zinc/68/29/22/946682922.db2.gz NQIWXHXBAHBENE-OAHLLOKOSA-N 1 0 286.379 1.938 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CC3CCN(CC3)C2)cc1O ZINC001254831324 947612037 /nfs/dbraw/zinc/61/20/37/947612037.db2.gz LAURPPQMJRORFV-CZUORRHYSA-N 1 0 292.379 1.205 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1 ZINC001246311549 948100887 /nfs/dbraw/zinc/10/08/87/948100887.db2.gz PNDYHXIHZHACRS-HIFRSBDPSA-N 1 0 291.395 1.136 20 10 CDCDRO C[C@H](Cc1ccccn1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001256398115 948303551 /nfs/dbraw/zinc/30/35/51/948303551.db2.gz NZGVFLIMISSBLY-LLVKDONJSA-N 1 0 288.347 1.962 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001257029254 948485195 /nfs/dbraw/zinc/48/51/95/948485195.db2.gz FDCHUKDXPIINPN-RYUDHWBXSA-N 1 0 279.336 1.919 20 10 CDCDRO Oc1cc2c(cc1O)CN([C@H]1CCC[NH2+]C1)CCC2 ZINC001246874396 948498006 /nfs/dbraw/zinc/49/80/06/948498006.db2.gz FCOQQLRDBIXXJP-ZDUSSCGKSA-N 1 0 262.353 1.598 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CCC(OC)CC2)c(O)c1 ZINC001249171505 949436208 /nfs/dbraw/zinc/43/62/08/949436208.db2.gz COGQRQWHNFUVOH-UHFFFAOYSA-N 1 0 293.363 1.719 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC(C)(C)C2)c(O)c1 ZINC001249171242 949437321 /nfs/dbraw/zinc/43/73/21/949437321.db2.gz ATHJJDXYLPCWIQ-UHFFFAOYSA-N 1 0 263.337 1.950 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC001249214161 949461051 /nfs/dbraw/zinc/46/10/51/949461051.db2.gz FLLNOFGPAVJKQF-VXGBXAGGSA-N 1 0 293.363 1.717 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC001251962436 951007584 /nfs/dbraw/zinc/00/75/84/951007584.db2.gz IPUJYHGWLNCRPP-ZDUSSCGKSA-N 1 0 264.369 1.506 20 10 CDCDRO CCCCOC[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252516974 951401322 /nfs/dbraw/zinc/40/13/22/951401322.db2.gz WJVNOZAIBYHPQW-CQSZACIVSA-N 1 0 279.380 1.928 20 10 CDCDRO C[NH+]1CCC(c2cn(CCc3ccc(N)cc3)nn2)CC1 ZINC001254081110 952187065 /nfs/dbraw/zinc/18/70/65/952187065.db2.gz LNWACYFYCKBHHL-UHFFFAOYSA-N 1 0 285.395 1.912 20 10 CDCDRO O=C(CCCC[NH+]1CCCC1)NCc1cc(O)ccc1O ZINC001303223226 956068666 /nfs/dbraw/zinc/06/86/66/956068666.db2.gz GLPXNJXQUGBRJR-UHFFFAOYSA-N 1 0 292.379 1.980 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308369076 956525153 /nfs/dbraw/zinc/52/51/53/956525153.db2.gz GZFLEISUYVQNNW-MGNBDDOMSA-N 1 0 272.389 1.748 20 10 CDCDRO C[N@H+](CCNC(=O)NCc1ccc(N)cc1)C1CCCC1 ZINC001336974903 960798191 /nfs/dbraw/zinc/79/81/91/960798191.db2.gz DYCAHTBFRLZQGI-UHFFFAOYSA-N 1 0 290.411 1.942 20 10 CDCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@H]1CC[NH3+] ZINC001337019796 960856578 /nfs/dbraw/zinc/85/65/78/960856578.db2.gz VLLWGNHPZNVLRM-WFASDCNBSA-N 1 0 290.411 1.928 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CC2(O)CCOCC2)c1O ZINC001338262406 961718372 /nfs/dbraw/zinc/71/83/72/961718372.db2.gz HCYVMIRYJRSVMV-UHFFFAOYSA-N 1 0 295.379 1.683 20 10 CDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001346499822 965145793 /nfs/dbraw/zinc/14/57/93/965145793.db2.gz DOGIZAQTNHRBDH-UWVGGRQHSA-N 1 0 250.346 1.194 20 10 CDCDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593265162 994570537 /nfs/dbraw/zinc/57/05/37/994570537.db2.gz QJUFFIAEPOCEMI-WDEREUQCSA-N 1 0 278.352 1.741 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCCCO)cc1 ZINC001578424667 1171905597 /nfs/dbraw/zinc/90/55/97/1171905597.db2.gz QTYQYLFXFQQPEP-HNNXBMFYSA-N 1 0 293.411 1.421 20 10 CDCDRO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccccc1O ZINC000271739582 362037662 /nfs/dbraw/zinc/03/76/62/362037662.db2.gz VCODNIFCXQEAGK-JTQLQIEISA-N 1 0 272.295 1.814 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180567610 357276607 /nfs/dbraw/zinc/27/66/07/357276607.db2.gz VNNFNUQIAXOWTP-OAHLLOKOSA-N 1 0 279.336 1.786 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000112839702 538892121 /nfs/dbraw/zinc/89/21/21/538892121.db2.gz MHUDNJVWODOPHY-SJORKVTESA-N 1 0 289.423 1.705 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1O ZINC000297346146 200155621 /nfs/dbraw/zinc/15/56/21/200155621.db2.gz OUQLXCZNWANRJB-KBPBESRZSA-N 1 0 278.396 1.890 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)cc1F ZINC000134116841 361514704 /nfs/dbraw/zinc/51/47/04/361514704.db2.gz HUUNKZYXVBOCCY-UHFFFAOYSA-N 1 0 295.358 1.045 20 10 CDCDRO CC1CCN(c2ccc(CNC(=O)C[NH3+])cc2)CC1 ZINC000167862417 364952731 /nfs/dbraw/zinc/95/27/31/364952731.db2.gz AHJROHMVYHLTON-UHFFFAOYSA-N 1 0 261.369 1.498 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000168413411 364984508 /nfs/dbraw/zinc/98/45/08/364984508.db2.gz ZIKOZSZVSGDNLJ-HUTHGQBESA-N 1 0 257.355 1.257 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000271794150 364999541 /nfs/dbraw/zinc/99/95/41/364999541.db2.gz HNWOEOVGBLROMY-ZDUSSCGKSA-N 1 0 253.367 1.658 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C[S@@](C)=O)c1O ZINC000169096638 365024991 /nfs/dbraw/zinc/02/49/91/365024991.db2.gz NWAHGJXHOZKCBH-ASCAZGACSA-N 1 0 291.800 1.911 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272587347 365307929 /nfs/dbraw/zinc/30/79/29/365307929.db2.gz HHVLZHRCWVDHLO-IUODEOHRSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000273345868 365487458 /nfs/dbraw/zinc/48/74/58/365487458.db2.gz ASRWQOFVKKZRRN-BZNIZROVSA-N 1 0 295.379 1.839 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273558564 365508143 /nfs/dbraw/zinc/50/81/43/365508143.db2.gz HNCUWXHGSMCPAL-NWDGAFQWSA-N 1 0 253.342 1.667 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1c(O)cccc1Cl ZINC000282726802 368009822 /nfs/dbraw/zinc/00/98/22/368009822.db2.gz MBMAWYMQYMDJKQ-UHFFFAOYSA-N 1 0 273.760 1.876 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2)c2c1c(F)ccc2O ZINC000530222000 368150428 /nfs/dbraw/zinc/15/04/28/368150428.db2.gz FLKUPMQSUGYZLY-CKYFFXLPSA-N 1 0 280.343 1.658 20 10 CDCDRO Cc1cccc(C[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)c1O ZINC000284291079 368510159 /nfs/dbraw/zinc/51/01/59/368510159.db2.gz IBTIXNSQSSRBEB-KGLIPLIRSA-N 1 0 278.396 1.588 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)C[NH3+])cc1 ZINC000285809106 368660233 /nfs/dbraw/zinc/66/02/33/368660233.db2.gz RJEGCGZYXGDHHS-GFCCVEGCSA-N 1 0 263.385 1.744 20 10 CDCDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000295162707 371138388 /nfs/dbraw/zinc/13/83/88/371138388.db2.gz SJUIEIVWDPYURX-LBPRGKRZSA-N 1 0 282.315 1.804 20 10 CDCDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000295396760 371254602 /nfs/dbraw/zinc/25/46/02/371254602.db2.gz RZHRXJSBGNBGIE-OAHLLOKOSA-N 1 0 294.326 1.405 20 10 CDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294852769 371377057 /nfs/dbraw/zinc/37/70/57/371377057.db2.gz VCNRILGFLZNNSR-LLVKDONJSA-N 1 0 261.369 1.509 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CCO)c1O ZINC000228674927 390937105 /nfs/dbraw/zinc/93/71/05/390937105.db2.gz PGYNXPXPSSIRSR-MRVPVSSYSA-N 1 0 259.733 1.915 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000121488695 390887602 /nfs/dbraw/zinc/88/76/02/390887602.db2.gz OPTUCJWAOWWUFE-CYBMUJFWSA-N 1 0 290.363 1.644 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cc2c(cc1O)OCO2 ZINC000133298551 390902938 /nfs/dbraw/zinc/90/29/38/390902938.db2.gz LCMNWJFLKUGAQY-UHFFFAOYSA-N 1 0 280.324 1.079 20 10 CDCDRO CC1CC[NH+](CC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000182528811 391235878 /nfs/dbraw/zinc/23/58/78/391235878.db2.gz QOUBVAPUQHJHQK-UHFFFAOYSA-N 1 0 278.352 1.446 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1O ZINC000183628615 391267750 /nfs/dbraw/zinc/26/77/50/391267750.db2.gz HSTJVMHVNREZKL-VXGBXAGGSA-N 1 0 298.408 1.467 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)C[S@@](C)=O)c1O ZINC000168182119 391276227 /nfs/dbraw/zinc/27/62/27/391276227.db2.gz FVYSBMCRWXJYIB-YPMLDQLKSA-N 1 0 271.382 1.648 20 10 CDCDRO Oc1ccccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000361053451 391678651 /nfs/dbraw/zinc/67/86/51/391678651.db2.gz RKPNMZZNCDQSKM-ZBFHGGJFSA-N 1 0 276.380 1.423 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000361049748 391679043 /nfs/dbraw/zinc/67/90/43/391679043.db2.gz DNSXRQXSIVLANF-GOEBONIOSA-N 1 0 294.370 1.562 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1C ZINC000372746600 391863787 /nfs/dbraw/zinc/86/37/87/391863787.db2.gz WVUNNSAABHHFRZ-ZDUSSCGKSA-N 1 0 298.408 1.262 20 10 CDCDRO COc1cc(O)c(C[NH2+]Cc2conc2C)cc1OC ZINC000877563264 735282463 /nfs/dbraw/zinc/28/24/63/735282463.db2.gz JWYKIRBOMFLDAY-UHFFFAOYSA-N 1 0 278.308 1.996 20 10 CDCDRO COc1cccc(C[NH2+]CC(C)(C)N(C)C)c1O ZINC000020125784 171008879 /nfs/dbraw/zinc/00/88/79/171008879.db2.gz LHSZYFQXJTVUOR-UHFFFAOYSA-N 1 0 252.358 1.831 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COCCO2)c1 ZINC000038060299 174070964 /nfs/dbraw/zinc/07/09/64/174070964.db2.gz REUJDEVGAMGEQX-PWSUYJOCSA-N 1 0 267.325 1.467 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1F ZINC000158597683 261167863 /nfs/dbraw/zinc/16/78/63/261167863.db2.gz XFQONIKZZOCXOR-UHFFFAOYSA-N 1 0 279.359 1.589 20 10 CDCDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000295084457 278570559 /nfs/dbraw/zinc/57/05/59/278570559.db2.gz SLPSRCMFVPCTHF-UEKVPHQBSA-N 1 0 261.369 1.314 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000237048215 328004164 /nfs/dbraw/zinc/00/41/64/328004164.db2.gz HFKGUCRECHNYPZ-GJZGRUSLSA-N 1 0 275.396 1.800 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC000169096721 329063936 /nfs/dbraw/zinc/06/39/36/329063936.db2.gz NWAHGJXHOZKCBH-CVJBHZAOSA-N 1 0 291.800 1.911 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC001140749356 1159418059 /nfs/dbraw/zinc/41/80/59/1159418059.db2.gz WOVUSYZGRIOQCI-GFCCVEGCSA-N 1 0 276.336 1.213 20 10 CDCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276554935 520244288 /nfs/dbraw/zinc/24/42/88/520244288.db2.gz ILLNPBQFWHMHDY-JTQLQIEISA-N 1 0 296.342 1.651 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000263782990 520371735 /nfs/dbraw/zinc/37/17/35/520371735.db2.gz WBTBLCJQPTVPKK-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO CC1CCN(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042880386 521014098 /nfs/dbraw/zinc/01/40/98/521014098.db2.gz IUMRWRPVYRNLCX-UHFFFAOYSA-N 1 0 292.379 1.942 20 10 CDCDRO C[NH2+]CCN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000237345367 522004700 /nfs/dbraw/zinc/00/47/00/522004700.db2.gz HXSSBTWKADHPRW-UHFFFAOYSA-N 1 0 286.379 1.781 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000277383707 522094004 /nfs/dbraw/zinc/09/40/04/522094004.db2.gz WPNVTNGNAVMCIE-NSHDSACASA-N 1 0 278.352 1.654 20 10 CDCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236914126 522326853 /nfs/dbraw/zinc/32/68/53/522326853.db2.gz ZHHNMLNAEMJXPC-NSHDSACASA-N 1 0 253.321 1.245 20 10 CDCDRO CC[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(C)cc1O ZINC000279983207 522839387 /nfs/dbraw/zinc/83/93/87/522839387.db2.gz DTRKKJBNTGPDGU-GFCCVEGCSA-N 1 0 271.382 1.786 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000211400588 522844906 /nfs/dbraw/zinc/84/49/06/522844906.db2.gz XPPZYGRDRRWSEA-NSHDSACASA-N 1 0 251.326 1.869 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1ccc(C)cc1O ZINC000291885044 522907736 /nfs/dbraw/zinc/90/77/36/522907736.db2.gz JXTWQHDIVQKJJO-CMPLNLGQSA-N 1 0 250.342 1.876 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289481546 523592952 /nfs/dbraw/zinc/59/29/52/523592952.db2.gz BXKAPHRGPXDDAA-JSGCOSHPSA-N 1 0 293.386 1.896 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1C ZINC000227974382 524072430 /nfs/dbraw/zinc/07/24/30/524072430.db2.gz OOONTUDXISDCTJ-SWLSCSKDSA-N 1 0 265.353 1.633 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800740 524771675 /nfs/dbraw/zinc/77/16/75/524771675.db2.gz VMARKXLLIVRCGL-STQMWFEESA-N 1 0 293.411 1.297 20 10 CDCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000131182096 524878178 /nfs/dbraw/zinc/87/81/78/524878178.db2.gz RRTLSXVYWLWYBT-KPZWWZAWSA-N 1 0 268.426 1.951 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NCCF ZINC000282687440 525450928 /nfs/dbraw/zinc/45/09/28/525450928.db2.gz NWBZDNNEQFHLKP-JTQLQIEISA-N 1 0 266.316 1.185 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccccc1)OCO2 ZINC000042879722 526336697 /nfs/dbraw/zinc/33/66/97/526336697.db2.gz FMOFTYDDSWGDLN-CQSZACIVSA-N 1 0 287.315 1.944 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000265655670 526363471 /nfs/dbraw/zinc/36/34/71/526363471.db2.gz YLNHWVUOWZKOOC-AWEZNQCLSA-N 1 0 285.771 1.923 20 10 CDCDRO NC(=O)CC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000297352177 526863699 /nfs/dbraw/zinc/86/36/99/526863699.db2.gz GQMDHONTQNWWFE-UHFFFAOYSA-N 1 0 254.717 1.353 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1C ZINC000747811060 574508817 /nfs/dbraw/zinc/50/88/17/574508817.db2.gz JUJHUBKYKNSLHY-CYBMUJFWSA-N 1 0 283.393 1.676 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@H](C)CC(N)=O)CC2)cc1 ZINC000749129238 574531267 /nfs/dbraw/zinc/53/12/67/574531267.db2.gz XKWCHTYXAOGYRG-GFCCVEGCSA-N 1 0 291.395 1.518 20 10 CDCDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1=CC(=O)CS1 ZINC000731878856 575068035 /nfs/dbraw/zinc/06/80/35/575068035.db2.gz OHORBSRHMORCDO-ONGXEEELSA-N 1 0 282.365 1.047 20 10 CDCDRO C[N@H+](CCn1ccccc1=O)Cc1ccccc1O ZINC000732203111 575083253 /nfs/dbraw/zinc/08/32/53/575083253.db2.gz LSXKYDQTRZYNQR-UHFFFAOYSA-N 1 0 258.321 1.686 20 10 CDCDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C1=CC(=O)CS1 ZINC000732289948 575087180 /nfs/dbraw/zinc/08/71/80/575087180.db2.gz FITOTHHJEHAJHL-JTQLQIEISA-N 1 0 266.366 1.668 20 10 CDCDRO CNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613633 575133187 /nfs/dbraw/zinc/13/31/87/575133187.db2.gz FCQNYKDJKVLUHT-UHFFFAOYSA-N 1 0 262.353 1.883 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=S)NCC[NH+](C)C ZINC000734383880 575344627 /nfs/dbraw/zinc/34/46/27/575344627.db2.gz GTCGFIGAEKOGOV-UHFFFAOYSA-N 1 0 294.468 1.587 20 10 CDCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000769534690 575357874 /nfs/dbraw/zinc/35/78/74/575357874.db2.gz YSWJQOOXXHPMQO-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C1=CC(=O)CS1 ZINC000771742929 575606151 /nfs/dbraw/zinc/60/61/51/575606151.db2.gz HCHGSESWSRFZRZ-NSHDSACASA-N 1 0 297.424 1.210 20 10 CDCDRO COCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768241188 576266578 /nfs/dbraw/zinc/26/65/78/576266578.db2.gz MDSTZPRNVWYDCJ-UHFFFAOYSA-N 1 0 282.359 1.741 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000769187825 576336702 /nfs/dbraw/zinc/33/67/02/576336702.db2.gz AMBFUPOAINIOSZ-GFCCVEGCSA-N 1 0 292.379 1.878 20 10 CDCDRO COc1cccc(O)c1CN1CCC[C@H]([NH+](C)C)C1 ZINC000769302236 576343877 /nfs/dbraw/zinc/34/38/77/576343877.db2.gz QDPLQVOKRYXPLR-LBPRGKRZSA-N 1 0 264.369 1.927 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769402908 576352122 /nfs/dbraw/zinc/35/21/22/576352122.db2.gz DSLZVHUNECJJEC-NSHDSACASA-N 1 0 278.352 1.359 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCC[S@](C)=O)cc1C ZINC000742372127 576598596 /nfs/dbraw/zinc/59/85/96/576598596.db2.gz RJYCPTIAWZKQSI-KRWDZBQOSA-N 1 0 255.383 1.867 20 10 CDCDRO CCn1cnnc1CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000756733636 577002068 /nfs/dbraw/zinc/00/20/68/577002068.db2.gz RLLCQJAHOQTBEJ-LLVKDONJSA-N 1 0 290.367 1.906 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000932495799 617317546 /nfs/dbraw/zinc/31/75/46/617317546.db2.gz HNVYZZLIDRXMGL-SDBXPKJASA-N 1 0 267.300 1.858 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893199788 617457731 /nfs/dbraw/zinc/45/77/31/617457731.db2.gz OOKJKYVKEUXZHZ-UHFFFAOYSA-N 1 0 296.367 1.271 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1O ZINC000892167784 617522573 /nfs/dbraw/zinc/52/25/73/617522573.db2.gz GSYFRGCJEWRRAI-NWDGAFQWSA-N 1 0 293.367 1.131 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000841653219 617545856 /nfs/dbraw/zinc/54/58/56/617545856.db2.gz IDIOUMDWLUNMFZ-ZDUSSCGKSA-N 1 0 276.384 1.304 20 10 CDCDRO COc1ccc(C[NH2+]C2CCOCC2)c(O)c1OC ZINC000892630054 617547829 /nfs/dbraw/zinc/54/78/29/617547829.db2.gz XMKNHZIPUVSWQV-UHFFFAOYSA-N 1 0 267.325 1.678 20 10 CDCDRO CCCNC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000045071918 617589189 /nfs/dbraw/zinc/58/91/89/617589189.db2.gz GDYBTGVENRSTMY-NSHDSACASA-N 1 0 280.368 1.968 20 10 CDCDRO CCN(CC)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045693719 617594322 /nfs/dbraw/zinc/59/43/22/617594322.db2.gz CITCVYFLXZUNBD-LLVKDONJSA-N 1 0 280.368 1.941 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000220331026 617709687 /nfs/dbraw/zinc/70/96/87/617709687.db2.gz JPVANDYIRPXECW-NOZJJQNGSA-N 1 0 254.305 1.079 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCN(C)C2)c(O)c1OC ZINC000892935639 617928020 /nfs/dbraw/zinc/92/80/20/617928020.db2.gz BWYQVNLUCSJNKF-NSHDSACASA-N 1 0 266.341 1.203 20 10 CDCDRO COc1ccc(C[NH2+]Cc2ccno2)c(O)c1OC ZINC000893549606 618100687 /nfs/dbraw/zinc/10/06/87/618100687.db2.gz YHLNJNJQJRLCJG-UHFFFAOYSA-N 1 0 264.281 1.687 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(O)c1OC ZINC000894255460 618281199 /nfs/dbraw/zinc/28/11/99/618281199.db2.gz ZDSPNDCBRUUGHA-CABZTGNLSA-N 1 0 294.351 1.024 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000894075467 618363377 /nfs/dbraw/zinc/36/33/77/618363377.db2.gz GCWSMMGFFCNMKL-GFCCVEGCSA-N 1 0 292.379 1.797 20 10 CDCDRO COCC[N@H+](CCO)Cc1cc(Cl)c(C)cc1O ZINC000824694026 618584597 /nfs/dbraw/zinc/58/45/97/618584597.db2.gz KUDCRTAJWBOQLN-UHFFFAOYSA-N 1 0 273.760 1.795 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C[NH3+] ZINC000841100534 618682307 /nfs/dbraw/zinc/68/23/07/618682307.db2.gz HCLNCBUIHSIMGI-JQWIXIFHSA-N 1 0 252.333 1.948 20 10 CDCDRO CN(CC[NH3+])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841100465 618682425 /nfs/dbraw/zinc/68/24/25/618682425.db2.gz ILILNJKHXKGVDK-UHFFFAOYSA-N 1 0 292.383 1.976 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000894366009 618824207 /nfs/dbraw/zinc/82/42/07/618824207.db2.gz JJXPQITUZYDGFJ-CYBMUJFWSA-N 1 0 291.351 1.266 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c(O)c1OC ZINC000894974872 619172112 /nfs/dbraw/zinc/17/21/12/619172112.db2.gz JBBHBKSZUYKGNF-VXGBXAGGSA-N 1 0 295.379 1.860 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895780596 619845480 /nfs/dbraw/zinc/84/54/80/619845480.db2.gz OWTWPUQBVPUWMY-YUTCNCBUSA-N 1 0 277.364 1.912 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897261081 620449886 /nfs/dbraw/zinc/44/98/86/620449886.db2.gz BGVVWCSUEVWJLY-AWEZNQCLSA-N 1 0 277.364 1.898 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C[C@@H]([NH3+])CC(F)F ZINC000903906321 626141406 /nfs/dbraw/zinc/14/14/06/626141406.db2.gz VLRMXBNTDPZKHE-JTQLQIEISA-N 1 0 285.338 1.934 20 10 CDCDRO CN(Cc1cn(-c2ccn(C)n2)nn1)Cc1ccccc1O ZINC000906275819 627164433 /nfs/dbraw/zinc/16/44/33/627164433.db2.gz DRPXJEQYJVALKV-UHFFFAOYSA-N 1 0 298.350 1.338 20 10 CDCDRO C[NH+]1CCC(CC(=O)NCc2ccc(O)cc2O)CC1 ZINC000910948809 629114191 /nfs/dbraw/zinc/11/41/91/629114191.db2.gz ASMILBCOMRHQNH-UHFFFAOYSA-N 1 0 278.352 1.446 20 10 CDCDRO CC[C@@H](C(=O)NCc1ccc(O)cc1O)[NH+](CC)CC ZINC000910950034 629114886 /nfs/dbraw/zinc/11/48/86/629114886.db2.gz AQGCWMQHSGSMLA-ZDUSSCGKSA-N 1 0 280.368 1.834 20 10 CDCDRO Cc1c[nH]nc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667693 629386820 /nfs/dbraw/zinc/38/68/20/629386820.db2.gz QNZVRKCLJRDCIA-CYBMUJFWSA-N 1 0 287.367 1.214 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C(C)=O)C2)c1 ZINC000152934705 631430671 /nfs/dbraw/zinc/43/06/71/631430671.db2.gz WHAPHMVFWMZILO-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921739314 633254391 /nfs/dbraw/zinc/25/43/91/633254391.db2.gz ZZYIRVPHUHHITO-NSHDSACASA-N 1 0 283.393 1.534 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])cc1 ZINC001606054300 1163757452 /nfs/dbraw/zinc/75/74/52/1163757452.db2.gz RNTMANHSUGMNMS-CQSZACIVSA-N 1 0 277.368 1.001 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2OCC[C@H]2[NH3+])cc1 ZINC001577699393 1171723031 /nfs/dbraw/zinc/72/30/31/1171723031.db2.gz BEJMWONPULAPJA-CABCVRRESA-N 1 0 291.395 1.265 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC001579638505 1172231762 /nfs/dbraw/zinc/23/17/62/1172231762.db2.gz ZTVMHHSFQFLUMJ-YGRLFVJLSA-N 1 0 284.787 1.902 20 10 CDCDRO Nc1ccc(C[NH2+][C@H]2Cc3ccccc3NC2=O)cc1 ZINC001580445772 1172437617 /nfs/dbraw/zinc/43/76/17/1172437617.db2.gz VKJHCWCZELQXLD-HNNXBMFYSA-N 1 0 267.332 1.922 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000126353031 1175457259 /nfs/dbraw/zinc/45/72/59/1175457259.db2.gz KQDOPNIGLFAFCX-SNVBAGLBSA-N 1 0 264.325 1.312 20 10 CDCDRO CC(C)[NH2+]CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841934424 736527857 /nfs/dbraw/zinc/52/78/57/736527857.db2.gz VAZLOSXQJJSNFF-UHFFFAOYSA-N 1 0 278.400 1.499 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1 ZINC000248496417 736585802 /nfs/dbraw/zinc/58/58/02/736585802.db2.gz LHMBUILIMACJII-QWHCGFSZSA-N 1 0 294.395 1.772 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1 ZINC000817280050 736598008 /nfs/dbraw/zinc/59/80/08/736598008.db2.gz XVMYVJGWCTYHHV-OAHLLOKOSA-N 1 0 278.396 1.724 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@H]1C[NH2+]CCCO1 ZINC000841087238 738442132 /nfs/dbraw/zinc/44/21/32/738442132.db2.gz RZVPKJGLOTTZFD-SNVBAGLBSA-N 1 0 270.760 1.514 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(F)ccc1O ZINC000226584767 736679100 /nfs/dbraw/zinc/67/91/00/736679100.db2.gz MMTWAWQXIMSIRF-LLVKDONJSA-N 1 0 268.332 1.342 20 10 CDCDRO CCCNC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700947810 736685907 /nfs/dbraw/zinc/68/59/07/736685907.db2.gz SECBKOQHWGQLFR-GFCCVEGCSA-N 1 0 275.396 1.813 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000825278617 736777292 /nfs/dbraw/zinc/77/72/92/736777292.db2.gz GJOGTTWFPIVLOW-CMPLNLGQSA-N 1 0 278.352 1.535 20 10 CDCDRO CC(C)[N@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000825683452 736708577 /nfs/dbraw/zinc/70/85/77/736708577.db2.gz OKPKPFPDHIVGFJ-UHFFFAOYSA-N 1 0 270.304 1.307 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000843070697 736716387 /nfs/dbraw/zinc/71/63/87/736716387.db2.gz WYERWSIUUWCWLQ-QGZVFWFLSA-N 1 0 289.423 1.836 20 10 CDCDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846145752 736745359 /nfs/dbraw/zinc/74/53/59/736745359.db2.gz QBUSSRCLHROAGS-LLVKDONJSA-N 1 0 280.368 1.920 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1 ZINC000817412866 736839289 /nfs/dbraw/zinc/83/92/89/736839289.db2.gz PUYNDOGADBJTDK-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000883077451 736906899 /nfs/dbraw/zinc/90/68/99/736906899.db2.gz KRHFNJZQOFRKQZ-OAHLLOKOSA-N 1 0 290.411 1.646 20 10 CDCDRO OC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000134517541 736954044 /nfs/dbraw/zinc/95/40/44/736954044.db2.gz ZGNGSYIYGPLRFI-UHFFFAOYSA-N 1 0 276.380 1.528 20 10 CDCDRO C[NH2+]CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882677 736981531 /nfs/dbraw/zinc/98/15/31/736981531.db2.gz MNWVZZKPRKSHTM-LLVKDONJSA-N 1 0 264.373 1.332 20 10 CDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCOC1 ZINC000922183907 736983031 /nfs/dbraw/zinc/98/30/31/736983031.db2.gz CKLSZEOORPNVMM-JKSUJKDBSA-N 1 0 291.391 1.889 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000779102179 737047709 /nfs/dbraw/zinc/04/77/09/737047709.db2.gz RQKRFKATZFIHJE-NWDGAFQWSA-N 1 0 266.316 1.536 20 10 CDCDRO Nc1ccc(CCNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000832659133 737059804 /nfs/dbraw/zinc/05/98/04/737059804.db2.gz NUKXYZLIIATNQB-CYBMUJFWSA-N 1 0 261.369 1.317 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1ccc(OC)cc1O ZINC000871605731 738472767 /nfs/dbraw/zinc/47/27/67/738472767.db2.gz IIJSTLAFQBZGBN-UHFFFAOYSA-N 1 0 267.329 1.003 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)C(N)=O ZINC000793185259 737121558 /nfs/dbraw/zinc/12/15/58/737121558.db2.gz IOWJUYVNRODTQT-MRVPVSSYSA-N 1 0 289.301 1.735 20 10 CDCDRO CCOc1ccccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000037874983 737166040 /nfs/dbraw/zinc/16/60/40/737166040.db2.gz BVGHAQPYBSMCCD-ZDUSSCGKSA-N 1 0 264.369 1.954 20 10 CDCDRO O=C1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1 ZINC000396743350 737203046 /nfs/dbraw/zinc/20/30/46/737203046.db2.gz IZJDSJSCVYVRBZ-NSHDSACASA-N 1 0 268.744 1.804 20 10 CDCDRO COC(=O)c1cnc(SC[C@H]2CC[N@H+](C)C2)s1 ZINC000829677714 737210645 /nfs/dbraw/zinc/21/06/45/737210645.db2.gz JCNJBZJLFSUXIY-QMMMGPOBSA-N 1 0 272.395 1.974 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000828666219 738493502 /nfs/dbraw/zinc/49/35/02/738493502.db2.gz BWCSXIAAENVEPG-ZANVPECISA-N 1 0 278.352 1.576 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841962312 737236832 /nfs/dbraw/zinc/23/68/32/737236832.db2.gz HZYRWUUXDTWHBO-GFCCVEGCSA-N 1 0 278.400 1.489 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCN(CCOC)C2)c1O ZINC000848896722 737566355 /nfs/dbraw/zinc/56/63/55/737566355.db2.gz HUWTVMXEUOHECC-OAHLLOKOSA-N 1 0 278.396 1.765 20 10 CDCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1O ZINC000219321554 737630975 /nfs/dbraw/zinc/63/09/75/737630975.db2.gz GVFQKPBYXXZHJZ-LBPRGKRZSA-N 1 0 252.358 1.621 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(F)ccc1O ZINC000834908899 737681674 /nfs/dbraw/zinc/68/16/74/737681674.db2.gz MQOMFVQOMMBREQ-OTYXRUKQSA-N 1 0 266.316 1.851 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1(CO)CCC1 ZINC000827903193 737710584 /nfs/dbraw/zinc/71/05/84/737710584.db2.gz FGSZMIJJLOETOJ-UHFFFAOYSA-N 1 0 290.407 1.870 20 10 CDCDRO CCc1cccc(C[NH2+][C@](C)(CO)COC)c1O ZINC000716854206 737788057 /nfs/dbraw/zinc/78/80/57/737788057.db2.gz SNTMLYPFTXHHFY-CQSZACIVSA-N 1 0 253.342 1.442 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964236 737748476 /nfs/dbraw/zinc/74/84/76/737748476.db2.gz OSWDRTDCHPECHR-GFCCVEGCSA-N 1 0 266.410 1.710 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000858282240 737831951 /nfs/dbraw/zinc/83/19/51/737831951.db2.gz VHERMRRGFJZRMT-ZDUSSCGKSA-N 1 0 289.379 1.737 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOCC2)c1 ZINC000019954539 737898281 /nfs/dbraw/zinc/89/82/81/737898281.db2.gz USDOLXHUSBDGBE-GFCCVEGCSA-N 1 0 280.368 1.384 20 10 CDCDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000841651906 737909291 /nfs/dbraw/zinc/90/92/91/737909291.db2.gz CETIWNJFLMYEFR-SWLSCSKDSA-N 1 0 290.411 1.631 20 10 CDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000831094979 737990743 /nfs/dbraw/zinc/99/07/43/737990743.db2.gz TXIZXPMJBQJFRN-VXGBXAGGSA-N 1 0 278.400 1.678 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C(C)=O)C2)cc1OC ZINC000857068919 738100574 /nfs/dbraw/zinc/10/05/74/738100574.db2.gz IJLOSVWMJMNSAQ-GFCCVEGCSA-N 1 0 294.351 1.120 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CN1CCCC1=O ZINC000876950800 738122206 /nfs/dbraw/zinc/12/22/06/738122206.db2.gz WNPYIWJRYZXHQN-LBPRGKRZSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c(O)c1 ZINC000817982526 738204986 /nfs/dbraw/zinc/20/49/86/738204986.db2.gz DUHKMIMRXAONCC-OLZOCXBDSA-N 1 0 264.369 1.648 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000384999774 738265198 /nfs/dbraw/zinc/26/51/98/738265198.db2.gz IXSMPHHVMVOUGD-PRHODGIISA-N 1 0 267.300 1.689 20 10 CDCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000876713461 738296461 /nfs/dbraw/zinc/29/64/61/738296461.db2.gz QDEOJRYPYIHMDT-ZBFHGGJFSA-N 1 0 291.395 1.136 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCOCCF)OCO2 ZINC000705746294 738299190 /nfs/dbraw/zinc/29/91/90/738299190.db2.gz NOXLXSUOJIWCIL-UHFFFAOYSA-N 1 0 257.261 1.197 20 10 CDCDRO CN1CCN(Cc2cc(Cl)ccc2O)[C@H](C[NH3+])C1 ZINC000122543629 738372608 /nfs/dbraw/zinc/37/26/08/738372608.db2.gz BVQGBGHOSFMQGB-GFCCVEGCSA-N 1 0 269.776 1.120 20 10 CDCDRO O=C1NCCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000036977317 738539011 /nfs/dbraw/zinc/53/90/11/738539011.db2.gz SARAVZZLRAVEEK-LLVKDONJSA-N 1 0 268.744 1.804 20 10 CDCDRO O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000921933899 738568216 /nfs/dbraw/zinc/56/82/16/738568216.db2.gz XMHIBMRLSQTSOX-OAHLLOKOSA-N 1 0 263.337 1.253 20 10 CDCDRO CCOc1cccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1O ZINC000070075480 738610639 /nfs/dbraw/zinc/61/06/39/738610639.db2.gz KZHQYOIZQRWTFZ-TXEJJXNPSA-N 1 0 264.369 1.973 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(C(=O)NCCO)CC2)c1O ZINC000775652987 738658406 /nfs/dbraw/zinc/65/84/06/738658406.db2.gz YNGYRBJGUKSDSH-UHFFFAOYSA-N 1 0 292.379 1.021 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)C(C)(C)C(N)=O)cc1 ZINC000830307845 738721199 /nfs/dbraw/zinc/72/11/99/738721199.db2.gz WJGBZZYAIYVLKW-UHFFFAOYSA-N 1 0 263.385 1.838 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000886228991 738757419 /nfs/dbraw/zinc/75/74/19/738757419.db2.gz JERBQJNHKNTBGZ-OLZOCXBDSA-N 1 0 281.352 1.420 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1cc(C)ccc1O ZINC000134652969 738798946 /nfs/dbraw/zinc/79/89/46/738798946.db2.gz WKPZLGGDWAFQGC-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3ccccc3O)CC2)O1 ZINC000783722829 738807369 /nfs/dbraw/zinc/80/73/69/738807369.db2.gz ISSSQDRYOKIJPU-UHFFFAOYSA-N 1 0 262.309 1.467 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846055333 738829017 /nfs/dbraw/zinc/82/90/17/738829017.db2.gz LEYDWHPIUMJOKJ-UHFFFAOYSA-N 1 0 266.732 1.947 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C=O)CC2)c1 ZINC000827872238 738860930 /nfs/dbraw/zinc/86/09/30/738860930.db2.gz RLZHGBYDMIUUII-UHFFFAOYSA-N 1 0 264.325 1.065 20 10 CDCDRO C[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000130703991 738863263 /nfs/dbraw/zinc/86/32/63/738863263.db2.gz KLIPXDMBQCUUBE-MRVPVSSYSA-N 1 0 274.158 1.967 20 10 CDCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817958462 738889246 /nfs/dbraw/zinc/88/92/46/738889246.db2.gz JVUHJPCKSJZMCY-CABZTGNLSA-N 1 0 267.329 1.934 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775091181 739066017 /nfs/dbraw/zinc/06/60/17/739066017.db2.gz WIPRUSNZBGFJAW-SKDRFNHKSA-N 1 0 296.323 1.512 20 10 CDCDRO CC(C)(C[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709393 739072520 /nfs/dbraw/zinc/07/25/20/739072520.db2.gz FEIHHXKHQITHSF-UHFFFAOYSA-N 1 0 290.411 1.823 20 10 CDCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876796048 739085329 /nfs/dbraw/zinc/08/53/29/739085329.db2.gz XAMGLULNWLFKQP-AWEZNQCLSA-N 1 0 267.300 1.788 20 10 CDCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758198 739117203 /nfs/dbraw/zinc/11/72/03/739117203.db2.gz FYTMRHSCEQUCDY-LLVKDONJSA-N 1 0 276.384 1.215 20 10 CDCDRO CC[NH2+]CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843484255 739117716 /nfs/dbraw/zinc/11/77/16/739117716.db2.gz IZASNMRWRZMTIL-CQSZACIVSA-N 1 0 292.379 1.509 20 10 CDCDRO C[NH2+]CCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841760870 739155450 /nfs/dbraw/zinc/15/54/50/739155450.db2.gz MIMLKSGGQQUNFG-UHFFFAOYSA-N 1 0 282.363 1.253 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCNC2=O)cc1F ZINC000858177404 736599710 /nfs/dbraw/zinc/59/97/10/736599710.db2.gz KMUGWXNIMUVCCB-SNVBAGLBSA-N 1 0 297.349 1.647 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1OC ZINC000853591328 736629929 /nfs/dbraw/zinc/62/99/29/736629929.db2.gz PVIRYTIGTJVGEB-YPMHNXCESA-N 1 0 293.363 1.878 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1 ZINC000886231911 736630233 /nfs/dbraw/zinc/63/02/33/736630233.db2.gz NEPJTBPZMCSOHH-GOEBONIOSA-N 1 0 278.396 1.772 20 10 CDCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127496 736805958 /nfs/dbraw/zinc/80/59/58/736805958.db2.gz RRFQFIXYBNAJFS-ZWNOBZJWSA-N 1 0 250.317 1.715 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1ccc(C)cc1O ZINC000876736098 736887172 /nfs/dbraw/zinc/88/71/72/736887172.db2.gz GEUAWHBZGTWZNG-UHFFFAOYSA-N 1 0 281.352 1.712 20 10 CDCDRO COC[C@](C)(CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000879163888 738938281 /nfs/dbraw/zinc/93/82/81/738938281.db2.gz NYTFFOYNDQGGME-AWEZNQCLSA-N 1 0 285.315 1.221 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CCCOCC2)c1O ZINC000848911823 738939318 /nfs/dbraw/zinc/93/93/18/738939318.db2.gz ISEBFAORBRIOBD-UHFFFAOYSA-N 1 0 278.396 1.767 20 10 CDCDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941696 736991541 /nfs/dbraw/zinc/99/15/41/736991541.db2.gz OFUUNIZEMHPDDN-OAHLLOKOSA-N 1 0 294.395 1.546 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)N(C)C ZINC000840948917 737014725 /nfs/dbraw/zinc/01/47/25/737014725.db2.gz ZOCLOAHFLHMBBT-UHFFFAOYSA-N 1 0 299.440 1.042 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C/C=C/CO)CC2)cc1 ZINC000850357565 737109305 /nfs/dbraw/zinc/10/93/05/737109305.db2.gz NUYVPSGQVBPXCH-NSCUHMNNSA-N 1 0 276.380 1.802 20 10 CDCDRO C[C@H](NC(=O)c1c(F)ccc(O)c1O)C(C)(C)C[NH+](C)C ZINC000826069460 737128999 /nfs/dbraw/zinc/12/89/99/737128999.db2.gz YKKIPRUESLNSOD-VIFPVBQESA-N 1 0 298.358 1.943 20 10 CDCDRO Cc1ncccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274554 737155176 /nfs/dbraw/zinc/15/51/76/737155176.db2.gz VPSMDFNLOHARHC-INIZCTEOSA-N 1 0 298.390 1.886 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000777440675 737182152 /nfs/dbraw/zinc/18/21/52/737182152.db2.gz IUFJHRIENPCPHJ-UHFFFAOYSA-N 1 0 293.319 1.696 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)c1O ZINC000848889050 737204299 /nfs/dbraw/zinc/20/42/99/737204299.db2.gz DSFYZCIUNFBUBB-ZDUSSCGKSA-N 1 0 298.408 1.078 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000281413838 737217496 /nfs/dbraw/zinc/21/74/96/737217496.db2.gz YLHKNIFTEZMVGI-OLZOCXBDSA-N 1 0 276.336 1.631 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCO2)c(O)c1C ZINC000817983602 737346874 /nfs/dbraw/zinc/34/68/74/737346874.db2.gz OOFIKZGLGXPUEF-CHWSQXEVSA-N 1 0 264.369 1.648 20 10 CDCDRO COCC(=O)NC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000775655292 737360115 /nfs/dbraw/zinc/36/01/15/737360115.db2.gz COBGNLGCMWCPBV-UHFFFAOYSA-N 1 0 292.379 1.428 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)c(C)c1 ZINC000815015505 737381800 /nfs/dbraw/zinc/38/18/00/737381800.db2.gz LKUWFQBSLHSMQI-UHFFFAOYSA-N 1 0 277.412 1.971 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1O ZINC000842472861 737394131 /nfs/dbraw/zinc/39/41/31/737394131.db2.gz RILZOXBAYNKIHH-XHDPSFHLSA-N 1 0 292.354 1.918 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNCCO2)c2c1c(F)ccc2O ZINC000817984167 737460054 /nfs/dbraw/zinc/46/00/54/737460054.db2.gz VQYLDTYLKMEVSN-FOGDFJRCSA-N 1 0 280.343 1.658 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1F ZINC000865736336 737589921 /nfs/dbraw/zinc/58/99/21/737589921.db2.gz DIGIGUMZKGQOJB-JSGCOSHPSA-N 1 0 252.333 1.895 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC3=[NH+]C[C@@H](C)N3)C2)cc1 ZINC000849043367 737604372 /nfs/dbraw/zinc/60/43/72/737604372.db2.gz ANRCTXHGFJLBPT-OLZOCXBDSA-N 1 0 288.395 1.459 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000817996858 737627675 /nfs/dbraw/zinc/62/76/75/737627675.db2.gz NKWJMLQDGSDBFI-SFHVURJKSA-N 1 0 296.370 1.940 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH3+])cc1 ZINC000841717598 737776682 /nfs/dbraw/zinc/77/66/82/737776682.db2.gz LLGXFZWKRIVACO-UHFFFAOYSA-N 1 0 278.400 1.633 20 10 CDCDRO CCCC[N@H+](CC(N)=O)Cc1c(C)cccc1O ZINC000876616679 738161086 /nfs/dbraw/zinc/16/10/86/738161086.db2.gz SFYDJUQOIOGNID-UHFFFAOYSA-N 1 0 250.342 1.788 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000858579171 738175848 /nfs/dbraw/zinc/17/58/48/738175848.db2.gz NLJAPNKYKNAZOH-BDAKNGLRSA-N 1 0 270.304 1.590 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000844178152 738306325 /nfs/dbraw/zinc/30/63/25/738306325.db2.gz ZSBSDCNHLDFMOY-PHIMTYICSA-N 1 0 265.332 1.245 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110627 738322634 /nfs/dbraw/zinc/32/26/34/738322634.db2.gz YPWRGACRPJOBCQ-CQSZACIVSA-N 1 0 269.316 1.553 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000876578222 739051426 /nfs/dbraw/zinc/05/14/26/739051426.db2.gz FRYMBBXEXSWVTE-UHFFFAOYSA-N 1 0 292.379 1.021 20 10 CDCDRO CN1CCC[NH+]=C1NCCCSc1nccs1 ZINC000849008257 739078468 /nfs/dbraw/zinc/07/84/68/739078468.db2.gz AVXJOACZIVTBDH-UHFFFAOYSA-N 1 0 270.427 1.906 20 10 CDCDRO COC(=O)c1cc(C[NH2+]Cc2cc(C)ccc2O)on1 ZINC000877652900 739093788 /nfs/dbraw/zinc/09/37/88/739093788.db2.gz PQTJBDIYEYFLIY-UHFFFAOYSA-N 1 0 276.292 1.765 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877031082 1165962287 /nfs/dbraw/zinc/96/22/87/1165962287.db2.gz LWXKYYBNWXUHPO-CQSZACIVSA-N 1 0 275.396 1.819 20 10 CDCDRO CCCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825911 1165980453 /nfs/dbraw/zinc/98/04/53/1165980453.db2.gz GPUWKWBNVBSSKD-AWEZNQCLSA-N 1 0 263.385 1.886 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2COC(C)(C)O2)c1O ZINC000230209026 912292404 /nfs/dbraw/zinc/29/24/04/912292404.db2.gz ZYUAKFUDFXOLRN-NSHDSACASA-N 1 0 267.325 1.642 20 10 CDCDRO C[C@@H](O)[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000929636685 912900245 /nfs/dbraw/zinc/90/02/45/912900245.db2.gz YTUVAESGIGHMRD-WBMJQRKESA-N 1 0 279.380 1.879 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccncn3)CC2)c1 ZINC001140623972 897201991 /nfs/dbraw/zinc/20/19/91/897201991.db2.gz ZOWJPFLNYTYBAZ-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]Cc2cncn2C)c1 ZINC000289730839 897934304 /nfs/dbraw/zinc/93/43/04/897934304.db2.gz GFBDKCREIVIGPK-UHFFFAOYSA-N 1 0 261.325 1.814 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1O ZINC001272625257 914204796 /nfs/dbraw/zinc/20/47/96/914204796.db2.gz JGSSTRDGDQMHJO-INIZCTEOSA-N 1 0 290.363 1.455 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC000092643938 901930904 /nfs/dbraw/zinc/93/09/04/901930904.db2.gz HAYSAZLNKJHSBN-LBPRGKRZSA-N 1 0 279.336 1.786 20 10 CDCDRO Cc1cc(O)c(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1Cl ZINC001236034113 914606784 /nfs/dbraw/zinc/60/67/84/914606784.db2.gz YYSOXPAVXXBWHT-ZWNOBZJWSA-N 1 0 252.745 1.887 20 10 CDCDRO O=C1C[C@H]([NH2+]Cc2cccc(O)c2O)CCN1C1CC1 ZINC001172009800 911093570 /nfs/dbraw/zinc/09/35/70/911093570.db2.gz RQZRCULAUIWDJA-LLVKDONJSA-N 1 0 276.336 1.341 20 10 CDCDRO COc1ccc(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3C)cc1C ZINC001172135334 911238450 /nfs/dbraw/zinc/23/84/50/911238450.db2.gz ZYMVIWJQXMOHQV-MQVJKMGUSA-N 1 0 290.407 1.955 20 10 CDCDRO O=C1CC[C@H]2C[C@@H]([NH2+]Cc3cccc(O)c3O)CCN12 ZINC001172164992 911411105 /nfs/dbraw/zinc/41/11/05/911411105.db2.gz LRBIBFMZFJAZJA-RYUDHWBXSA-N 1 0 276.336 1.341 20 10 CDCDRO O=C1CC[C@@H]2C[C@H]([NH2+]Cc3ccc(O)cc3O)CCN12 ZINC001172171474 911424079 /nfs/dbraw/zinc/42/40/79/911424079.db2.gz PECGBWQLCOXUQS-VXGBXAGGSA-N 1 0 276.336 1.341 20 10 CDCDRO CO[C@H]1CCC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001172918899 912059332 /nfs/dbraw/zinc/05/93/32/912059332.db2.gz MCBDWTSRMZJDBT-NEPJUHHUSA-N 1 0 279.336 1.828 20 10 CDCDRO COc1cc(CN2CCCC[C@](F)(C[NH3+])C2)cc(O)c1O ZINC001206344017 915561583 /nfs/dbraw/zinc/56/15/83/915561583.db2.gz LKHKBBNZCXTORH-HNNXBMFYSA-N 1 0 298.358 1.759 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137832595 936417797 /nfs/dbraw/zinc/41/77/97/936417797.db2.gz APVXFECWPJHIFT-SECBINFHSA-N 1 0 253.273 1.526 20 10 CDCDRO CC[NH+]1C[C@@H]2CN(Cc3c(O)cccc3F)C[C@H]2C1 ZINC001137841689 936420597 /nfs/dbraw/zinc/42/05/97/936420597.db2.gz PYZFHWKOQPSBJV-VXGBXAGGSA-N 1 0 264.344 1.915 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000829764711 936430983 /nfs/dbraw/zinc/43/09/83/936430983.db2.gz URGXIIZWHNELRP-UHFFFAOYSA-N 1 0 298.390 1.845 20 10 CDCDRO C[NH+](C)CC(C)(C)CNC(=O)CCc1ccc(O)c(O)c1 ZINC001182155829 917692381 /nfs/dbraw/zinc/69/23/81/917692381.db2.gz 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288.395 1.538 20 10 CDCDRO COc1cccc(N)c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163327828 939248962 /nfs/dbraw/zinc/24/89/62/939248962.db2.gz MMRZXGMUAJRIIE-ABAIWWIYSA-N 1 0 277.368 1.600 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c(O)c1 ZINC001206683951 939503769 /nfs/dbraw/zinc/50/37/69/939503769.db2.gz OEWOYLGXAPQHSV-ZDUSSCGKSA-N 1 0 285.338 1.627 20 10 CDCDRO COc1cccc(C[NH+]2CC([C@@H](C)OC)C2)c1O ZINC001203599486 939695754 /nfs/dbraw/zinc/69/57/54/939695754.db2.gz GIAUQDRRHYTNAY-SNVBAGLBSA-N 1 0 251.326 1.868 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001203604044 939695864 /nfs/dbraw/zinc/69/58/64/939695864.db2.gz ZZXGEHXYSHAIKE-GOEBONIOSA-N 1 0 295.379 1.356 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001203602972 939696048 /nfs/dbraw/zinc/69/60/48/939696048.db2.gz DOPYZBDCNAUTPW-ZBFHGGJFSA-N 1 0 295.379 1.356 20 10 CDCDRO COc1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(O)c1 ZINC001203620793 939697142 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CCOc1ccc(C[NH+]2CCN(CCF)CC2)c(O)c1 ZINC001237041977 944642808 /nfs/dbraw/zinc/64/28/08/944642808.db2.gz BUTOGNHUJFJJOJ-UHFFFAOYSA-N 1 0 282.359 1.878 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)c1 ZINC001237043154 944643921 /nfs/dbraw/zinc/64/39/21/944643921.db2.gz LWSCNNIARFHOTC-SMDDNHRTSA-N 1 0 290.363 1.359 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001237049532 944646274 /nfs/dbraw/zinc/64/62/74/944646274.db2.gz HKPKMNZZSWOEBD-CVEARBPZSA-N 1 0 295.379 1.356 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@H](O)C2)c(O)c(OC)c1 ZINC001237669281 944918620 /nfs/dbraw/zinc/91/86/20/944918620.db2.gz LHBGQYBLEZYTDF-LBPRGKRZSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)c(O)c(OC)c1 ZINC001237683250 944922779 /nfs/dbraw/zinc/92/27/79/944922779.db2.gz GGBNWIQUZPNVRX-HNNXBMFYSA-N 1 0 279.336 1.774 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NCCCC[NH3+])cc1 ZINC001261377578 946086836 /nfs/dbraw/zinc/08/68/36/946086836.db2.gz XIVSHARRZYWTIC-UHFFFAOYSA-N 1 0 278.400 1.633 20 10 CDCDRO CCOC(=O)CN1CCC([NH2+]Cc2ccccc2O)CC1 ZINC001254392835 947418182 /nfs/dbraw/zinc/41/81/82/947418182.db2.gz IZXVPDHBIYQIIS-UHFFFAOYSA-N 1 0 292.379 1.509 20 10 CDCDRO CCOc1ccc(N2CCN([C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001255440584 947895901 /nfs/dbraw/zinc/89/59/01/947895901.db2.gz FVCJEOCLMVWRQZ-MRXNPFEDSA-N 1 0 289.423 1.911 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246250769 948055689 /nfs/dbraw/zinc/05/56/89/948055689.db2.gz YDVVOULQJUOQBR-PWSUYJOCSA-N 1 0 250.342 1.370 20 10 CDCDRO C[C@@H]1CC[C@H](NCC(=O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246286613 948080880 /nfs/dbraw/zinc/08/08/80/948080880.db2.gz CWUSJFZYIYDDHN-KOLCDFICSA-N 1 0 264.325 1.011 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+]C[C@H](O)c2ccccc2)cc1O ZINC001251977082 951020494 /nfs/dbraw/zinc/02/04/94/951020494.db2.gz UQMPACHYDWZBRX-HOTGVXAUSA-N 1 0 289.331 1.454 20 10 CDCDRO Nc1ccc(CNC(=O)NCCCCCC[NH3+])cc1 ZINC001336934189 956019569 /nfs/dbraw/zinc/01/95/69/956019569.db2.gz RFXFSSWLXFQLBX-UHFFFAOYSA-N 1 0 264.373 1.587 20 10 CDCDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c(O)cccc1O ZINC001304049635 956156656 /nfs/dbraw/zinc/15/66/56/956156656.db2.gz AYXUXGMCQAZUSO-CYBMUJFWSA-N 1 0 292.379 1.979 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c(O)c1 ZINC001308858367 956590149 /nfs/dbraw/zinc/59/01/49/956590149.db2.gz CVRRSHKXESYLSZ-MLGOLLRUSA-N 1 0 295.379 1.850 20 10 CDCDRO CNC(=O)C1([NH2+]Cc2cc(C)cc(OC)c2O)CCCC1 ZINC001331994227 957388951 /nfs/dbraw/zinc/38/89/51/957388951.db2.gz OFVMISUYGGTVQJ-UHFFFAOYSA-N 1 0 292.379 1.858 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@](C)(CO)C1 ZINC001319706770 958695178 /nfs/dbraw/zinc/69/51/78/958695178.db2.gz CQHRNWLTZKEZGK-HNNXBMFYSA-N 1 0 265.353 1.995 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)o2)c1 ZINC001335329524 959720239 /nfs/dbraw/zinc/72/02/39/959720239.db2.gz KVBSOTQDMZRSSK-UHFFFAOYSA-N 1 0 295.360 1.987 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC001335664440 959961765 /nfs/dbraw/zinc/96/17/65/959961765.db2.gz BZAZWMMKNQMXGB-HNNXBMFYSA-N 1 0 288.395 1.552 20 10 CDCDRO Nc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC001336286559 960287723 /nfs/dbraw/zinc/28/77/23/960287723.db2.gz SHEYJAAWBQLHAC-UHFFFAOYSA-N 1 0 288.395 1.649 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[NH2+]CCN1C ZINC001340021552 962689835 /nfs/dbraw/zinc/68/98/35/962689835.db2.gz ZLKZKFLACSIUIK-CQSZACIVSA-N 1 0 291.395 1.034 20 10 CDCDRO O=C(C1=CCC[NH2+]CC1)N1CCCc2cccc(O)c21 ZINC001340320649 962888072 /nfs/dbraw/zinc/88/80/72/962888072.db2.gz RWWAHVOKDRKGGR-UHFFFAOYSA-N 1 0 272.348 1.981 20 10 CDCDRO Cn1cnc(/C=C\C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001343685816 964096285 /nfs/dbraw/zinc/09/62/85/964096285.db2.gz HUELEEDEGLIHEJ-FWWRYZNZSA-N 1 0 282.347 1.350 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC001345159468 964610979 /nfs/dbraw/zinc/61/09/79/964610979.db2.gz HCYDDZQGEHEAJY-OAHLLOKOSA-N 1 0 275.396 1.423 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001357648563 969636382 /nfs/dbraw/zinc/63/63/82/969636382.db2.gz WGBONHMQYAWMFV-GFCCVEGCSA-N 1 0 278.400 1.798 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC000775716799 970101072 /nfs/dbraw/zinc/10/10/72/970101072.db2.gz GSAFPHGYRCYYAI-KBPBESRZSA-N 1 0 262.353 1.215 20 10 CDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000295574040 539055093 /nfs/dbraw/zinc/05/50/93/539055093.db2.gz AWQWRYSVBQGTIC-UHFFFAOYSA-N 1 0 273.380 1.784 20 10 CDCDRO CN(C(=O)c1cccc(O)c1O)[C@@H]1CCC[N@H+](C)C1 ZINC000126385611 260349612 /nfs/dbraw/zinc/34/96/12/260349612.db2.gz ICGNMHWYTDXVHZ-SNVBAGLBSA-N 1 0 264.325 1.264 20 10 CDCDRO CCCC[N@H+](CC(N)=O)Cc1cc(F)ccc1O ZINC000179942370 357232307 /nfs/dbraw/zinc/23/23/07/357232307.db2.gz HRSGTKPRESALFQ-UHFFFAOYSA-N 1 0 254.305 1.619 20 10 CDCDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C)c1O ZINC000180552125 357275661 /nfs/dbraw/zinc/27/56/61/357275661.db2.gz AKEGMOHNMKCRBN-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000180560047 357275718 /nfs/dbraw/zinc/27/57/18/357275718.db2.gz UPZPLJZNEKNXPL-LBPRGKRZSA-N 1 0 262.353 1.788 20 10 CDCDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000193107785 358265252 /nfs/dbraw/zinc/26/52/52/358265252.db2.gz CMILDOFPBYEWJC-GFCCVEGCSA-N 1 0 292.379 1.902 20 10 CDCDRO CC1([NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000131186171 358323783 /nfs/dbraw/zinc/32/37/83/358323783.db2.gz NMKFOTUHTKUVDK-UHFFFAOYSA-N 1 0 265.309 1.780 20 10 CDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825831 358733316 /nfs/dbraw/zinc/73/33/16/358733316.db2.gz XWJCIWMZQUDNME-FZMZJTMJSA-N 1 0 263.385 1.742 20 10 CDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC[NH3+] ZINC000040855903 358819019 /nfs/dbraw/zinc/81/90/19/358819019.db2.gz FLGQZWKTTBZIEW-UHFFFAOYSA-N 1 0 275.396 1.984 20 10 CDCDRO COC1(C(=O)N(C)Cc2ccccc2O)CC[NH2+]CC1 ZINC000152083408 361258684 /nfs/dbraw/zinc/25/86/84/361258684.db2.gz UTRFAUZALDSUBD-UHFFFAOYSA-N 1 0 278.352 1.119 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1F ZINC000270012878 364422956 /nfs/dbraw/zinc/42/29/56/364422956.db2.gz UUKDPOXJTAYVCF-INIZCTEOSA-N 1 0 296.386 1.913 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280310940 367348196 /nfs/dbraw/zinc/34/81/96/367348196.db2.gz PRHCBDQMZGVPFE-LRDDRELGSA-N 1 0 293.363 1.781 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000281598994 367660885 /nfs/dbraw/zinc/66/08/85/367660885.db2.gz MANQKYPXSJEWQQ-ONGXEEELSA-N 1 0 257.305 1.579 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)CCOC)c1 ZINC000282132710 367739754 /nfs/dbraw/zinc/73/97/54/367739754.db2.gz GLLLPCGYNAWAIK-LBPRGKRZSA-N 1 0 269.341 1.278 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000282780943 368036065 /nfs/dbraw/zinc/03/60/65/368036065.db2.gz VQDYSKFHUJEVQH-SNVBAGLBSA-N 1 0 284.331 1.355 20 10 CDCDRO [NH3+]C1(CNC(=O)NCc2cccc(Cl)c2O)CCC1 ZINC001580149632 1172362376 /nfs/dbraw/zinc/36/23/76/1172362376.db2.gz VGWIQEXWHNPHAR-UHFFFAOYSA-N 1 0 283.759 1.726 20 10 CDCDRO C[NH+]1CCC(O)(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000271876989 371083864 /nfs/dbraw/zinc/08/38/64/371083864.db2.gz ZPKOKZGWXSOILX-UHFFFAOYSA-N 1 0 284.787 1.592 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000294918707 371106035 /nfs/dbraw/zinc/10/60/35/371106035.db2.gz ASMYQMVGNGJCMW-LLVKDONJSA-N 1 0 267.325 1.678 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000295217167 371154537 /nfs/dbraw/zinc/15/45/37/371154537.db2.gz XVSUYAINPCNVCD-KCJUWKMLSA-N 1 0 294.326 1.449 20 10 CDCDRO OCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000133163831 390935109 /nfs/dbraw/zinc/93/51/09/390935109.db2.gz XSJPJIPWRWTBIJ-UHFFFAOYSA-N 1 0 251.282 1.126 20 10 CDCDRO CCOc1cccc(CN2CCNC(=O)[C@H]2C(C)C)c1O ZINC000093054912 390899338 /nfs/dbraw/zinc/89/93/38/390899338.db2.gz HGVWEHDGHGBRIN-CQSZACIVSA-N 1 0 292.379 1.747 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCN(C(C)=O)CC2)c1O ZINC000133281452 390902865 /nfs/dbraw/zinc/90/28/65/390902865.db2.gz POENPRAKYSKBCN-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO CCC[N@H+](CC(=O)N(C)C)Cc1cccc(OC)c1O ZINC000133665202 390903879 /nfs/dbraw/zinc/90/38/79/390903879.db2.gz SMPCVKRKVIGOAL-UHFFFAOYSA-N 1 0 280.368 1.701 20 10 CDCDRO C[C@H]1COCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000370187555 391090330 /nfs/dbraw/zinc/09/03/30/391090330.db2.gz XNBMHOHONWEZOJ-OAHLLOKOSA-N 1 0 290.407 1.992 20 10 CDCDRO COC(=O)C[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000176139073 391147615 /nfs/dbraw/zinc/14/76/15/391147615.db2.gz CCPGYXOCVSWAON-CQSZACIVSA-N 1 0 293.363 1.773 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000183256574 391257990 /nfs/dbraw/zinc/25/79/90/391257990.db2.gz XJXAYHQVSMRDGM-CYBMUJFWSA-N 1 0 268.332 1.294 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000231604346 391753618 /nfs/dbraw/zinc/75/36/18/391753618.db2.gz HVKXCQIZOSEKDS-CYBMUJFWSA-N 1 0 253.342 1.491 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCOCCO ZINC000020198973 171062786 /nfs/dbraw/zinc/06/27/86/171062786.db2.gz GLOOUJWMGSDPGS-VXGBXAGGSA-N 1 0 265.353 1.847 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCn2ccnc2)c1 ZINC000020506072 171228367 /nfs/dbraw/zinc/22/83/67/171228367.db2.gz HFFANQGASJPCNB-UHFFFAOYSA-N 1 0 261.325 1.777 20 10 CDCDRO COCCOCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362909 173151462 /nfs/dbraw/zinc/15/14/62/173151462.db2.gz UDZSLOCKOJBKOB-UHFFFAOYSA-N 1 0 265.353 1.764 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996897 260182328 /nfs/dbraw/zinc/18/23/28/260182328.db2.gz OQTGGGCPOHSUOT-ZDUSSCGKSA-N 1 0 262.353 1.883 20 10 CDCDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(C)c(O)c1O ZINC000179482367 261789987 /nfs/dbraw/zinc/78/99/87/261789987.db2.gz KGEZIHZALCTJCS-UHFFFAOYSA-N 1 0 296.367 1.056 20 10 CDCDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cc(F)ccc1O ZINC000184921413 262300238 /nfs/dbraw/zinc/30/02/38/262300238.db2.gz AWURHKHSYJJMGB-SECBINFHSA-N 1 0 290.360 1.121 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000187825162 263269557 /nfs/dbraw/zinc/26/95/57/263269557.db2.gz ITYJSZBQVGCJNQ-DIFFPNOSSA-N 1 0 255.383 1.899 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2([S@](C)=O)CC2)cc1F ZINC000282220012 276883425 /nfs/dbraw/zinc/88/34/25/276883425.db2.gz DWEPSKKPZPMXBF-IBGZPJMESA-N 1 0 284.400 1.892 20 10 CDCDRO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000378381684 329047945 /nfs/dbraw/zinc/04/79/45/329047945.db2.gz XDJTYSGWGZRIIK-CYBMUJFWSA-N 1 0 275.352 1.382 20 10 CDCDRO COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(N(C)C)cc1 ZINC000188789486 329372336 /nfs/dbraw/zinc/37/23/36/329372336.db2.gz BGTGUNVUAKPHLT-HUUCEWRRSA-N 1 0 292.379 1.251 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000228065128 333294161 /nfs/dbraw/zinc/29/41/61/333294161.db2.gz QRKQBANJTJYEED-ZOWXZIJZSA-N 1 0 265.353 1.891 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000228094438 333294861 /nfs/dbraw/zinc/29/48/61/333294861.db2.gz JRSQOWXFMCJNRA-HZMBPMFUSA-N 1 0 267.325 1.030 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000252667514 334384627 /nfs/dbraw/zinc/38/46/27/334384627.db2.gz KTEQJBKGUKNEFB-KBPBESRZSA-N 1 0 262.353 1.345 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000252673816 334384830 /nfs/dbraw/zinc/38/48/30/334384830.db2.gz MNKSUBBOFJJVEM-LSDHHAIUSA-N 1 0 276.380 1.653 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)ccc1OC ZINC000263789273 520186980 /nfs/dbraw/zinc/18/69/80/520186980.db2.gz XMTNDIBJDSGRIV-CQSZACIVSA-N 1 0 292.379 1.552 20 10 CDCDRO CC1CC[NH+](CC(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000122672539 520998788 /nfs/dbraw/zinc/99/87/88/520998788.db2.gz VZTRQEXNTZHVRG-UHFFFAOYSA-N 1 0 292.379 1.488 20 10 CDCDRO COCC[C@@H]1COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000291344574 521889112 /nfs/dbraw/zinc/88/91/12/521889112.db2.gz WIWWKIPWPAAETC-CYBMUJFWSA-N 1 0 281.352 1.638 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1F ZINC000366346800 522202641 /nfs/dbraw/zinc/20/26/41/522202641.db2.gz MOQNOPBSARWWDD-CQSZACIVSA-N 1 0 283.322 1.210 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000062899675 522203507 /nfs/dbraw/zinc/20/35/07/522203507.db2.gz XOWHMPLRHVQMHS-HNNXBMFYSA-N 1 0 261.369 1.368 20 10 CDCDRO CC[C@H]([NH2+]C[C@H](O)COC)c1ccc(C)cc1O ZINC000280245556 522628914 /nfs/dbraw/zinc/62/89/14/522628914.db2.gz WGKSXEGTNDHLDC-AAEUAGOBSA-N 1 0 253.342 1.749 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)CO)cc1OC ZINC000289498159 522772524 /nfs/dbraw/zinc/77/25/24/522772524.db2.gz SPPSSJMKMSUIMQ-SECBINFHSA-N 1 0 255.314 1.222 20 10 CDCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000278308309 523506807 /nfs/dbraw/zinc/50/68/07/523506807.db2.gz SQXZVYKVWZCNEZ-OAHLLOKOSA-N 1 0 291.395 1.267 20 10 CDCDRO COCCOCCC[NH2+]Cc1cc(C)ccc1O ZINC000071406750 523997825 /nfs/dbraw/zinc/99/78/25/523997825.db2.gz MQEVRMTXPDQMQL-UHFFFAOYSA-N 1 0 253.342 1.843 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000195007475 524526974 /nfs/dbraw/zinc/52/69/74/524526974.db2.gz VAZFAXBPTPCLLY-PRHODGIISA-N 1 0 252.289 1.146 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2ccnc2)c1 ZINC000041119084 524764522 /nfs/dbraw/zinc/76/45/22/524764522.db2.gz QMFDOKJFJHEEDJ-LLVKDONJSA-N 1 0 261.325 1.948 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOCCO)c1 ZINC000020198841 524764562 /nfs/dbraw/zinc/76/45/62/524764562.db2.gz AADUJGMUHLXDMO-SNVBAGLBSA-N 1 0 255.314 1.060 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000274883986 525347345 /nfs/dbraw/zinc/34/73/45/525347345.db2.gz BYLVLUCEXJAQFP-UHFFFAOYSA-N 1 0 271.320 1.342 20 10 CDCDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccccc1O ZINC000282421697 525425107 /nfs/dbraw/zinc/42/51/07/525425107.db2.gz SRTNNNUDQYIAOH-BMLIUANNSA-N 1 0 253.367 1.954 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccccc1O ZINC000278878951 525425979 /nfs/dbraw/zinc/42/59/79/525425979.db2.gz SIVNUPWJHPUDTH-COPLHBTASA-N 1 0 251.326 1.583 20 10 CDCDRO CSCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000069432870 525479474 /nfs/dbraw/zinc/47/94/74/525479474.db2.gz LVNVNGBZJKCUNF-UHFFFAOYSA-N 1 0 255.339 1.964 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000280516913 525958080 /nfs/dbraw/zinc/95/80/80/525958080.db2.gz QQKXQKXAMCPUPY-GFCCVEGCSA-N 1 0 251.326 1.604 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C1CCN(C3CC3)CC1)OCO2 ZINC000042880061 526337326 /nfs/dbraw/zinc/33/73/26/526337326.db2.gz GOZNWLMGUJCHPC-UHFFFAOYSA-N 1 0 290.363 1.837 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683257 527477947 /nfs/dbraw/zinc/47/79/47/527477947.db2.gz VZVRXPUIPPGJOF-CYBMUJFWSA-N 1 0 259.353 1.164 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2(O)CCC2)c(O)c1 ZINC000732229659 575084037 /nfs/dbraw/zinc/08/40/37/575084037.db2.gz UNVOOZDXPVXBEY-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000732258306 575084511 /nfs/dbraw/zinc/08/45/11/575084511.db2.gz RMDDXFYHPPTWSL-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(F)ccc2O)CCCOC1 ZINC000770672599 575484268 /nfs/dbraw/zinc/48/42/68/575484268.db2.gz ARPDNUAQWLZUOZ-HNNXBMFYSA-N 1 0 297.326 1.733 20 10 CDCDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773010380 575774111 /nfs/dbraw/zinc/77/41/11/575774111.db2.gz UJITUGAKAPEPEI-GXTWGEPZSA-N 1 0 275.396 1.882 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]CCOCCO)c2c1c(F)ccc2O ZINC000756360695 575793857 /nfs/dbraw/zinc/79/38/57/575793857.db2.gz DZJQJJDRAAUMPI-KOLCDFICSA-N 1 0 269.316 1.678 20 10 CDCDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C1=CC(=O)CS1 ZINC000768229156 576265813 /nfs/dbraw/zinc/26/58/13/576265813.db2.gz DESQNGGVIUFZTQ-LLVKDONJSA-N 1 0 286.397 1.540 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCOC1 ZINC000768462698 576287224 /nfs/dbraw/zinc/28/72/24/576287224.db2.gz BXVMTAOLFMAOIP-HZMBPMFUSA-N 1 0 279.336 1.286 20 10 CDCDRO O=C1C[N@H+](Cc2c(O)ccc3ccccc32)CCCN1 ZINC000769116788 576331769 /nfs/dbraw/zinc/33/17/69/576331769.db2.gz UAIFGRARXDDIOS-UHFFFAOYSA-N 1 0 270.332 1.867 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1c(O)cccc1OC ZINC000769424985 576353441 /nfs/dbraw/zinc/35/34/41/576353441.db2.gz JTZIHRXHSVLQNV-UHFFFAOYSA-N 1 0 297.351 1.412 20 10 CDCDRO COC(=O)CC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000741255238 576546627 /nfs/dbraw/zinc/54/66/27/576546627.db2.gz NMVWXGKUFLQPIB-UHFFFAOYSA-N 1 0 281.308 1.552 20 10 CDCDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000741262819 576547869 /nfs/dbraw/zinc/54/78/69/576547869.db2.gz WVYIRRZOFIBJMD-GFCCVEGCSA-N 1 0 291.303 1.846 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000742377145 576598928 /nfs/dbraw/zinc/59/89/28/576598928.db2.gz MYVHXZJAIPBBFY-NSHDSACASA-N 1 0 269.341 1.542 20 10 CDCDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000763466641 576738368 /nfs/dbraw/zinc/73/83/68/576738368.db2.gz KWYDAPYLDULVFE-INIZCTEOSA-N 1 0 291.391 1.889 20 10 CDCDRO Cc1cccc(C[NH2+]Cc2cc(C(N)=O)no2)c1O ZINC000757905221 577059731 /nfs/dbraw/zinc/05/97/31/577059731.db2.gz GVSICEYFZWCSIG-UHFFFAOYSA-N 1 0 261.281 1.077 20 10 CDCDRO C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000825986298 607519394 /nfs/dbraw/zinc/51/93/94/607519394.db2.gz XYMQRVYCFPFNCU-UHFFFAOYSA-N 1 0 296.334 1.599 20 10 CDCDRO CC1(CNC(=O)N2Cc3cccc(O)c3C2)CC[NH2+]CC1 ZINC000892053903 617448914 /nfs/dbraw/zinc/44/89/14/617448914.db2.gz QFWBSPZMMQKPMX-UHFFFAOYSA-N 1 0 289.379 1.807 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000840936596 617609739 /nfs/dbraw/zinc/60/97/39/617609739.db2.gz MAXUGZVLRVPKRZ-MRXNPFEDSA-N 1 0 288.395 1.618 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000840940602 617640807 /nfs/dbraw/zinc/64/08/07/617640807.db2.gz ADZUNDWIQIOHFL-JKSUJKDBSA-N 1 0 292.423 1.796 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC000892330235 617849266 /nfs/dbraw/zinc/84/92/66/617849266.db2.gz GRKUEAZZBMUWCU-LLVKDONJSA-N 1 0 297.786 1.939 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c(O)c1OC ZINC000893043104 618094531 /nfs/dbraw/zinc/09/45/31/618094531.db2.gz SUMQZDOCRVPOJP-WDEREUQCSA-N 1 0 283.368 1.906 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)c(O)c1OC ZINC000894043472 618287647 /nfs/dbraw/zinc/28/76/47/618287647.db2.gz RLTMRTMRUWPLQK-PWSUYJOCSA-N 1 0 281.352 1.924 20 10 CDCDRO COC[C@]1(CNCc2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000841066600 618680130 /nfs/dbraw/zinc/68/01/30/618680130.db2.gz DDVCDBHGRBZFLT-CQSZACIVSA-N 1 0 284.787 1.904 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000877780552 618707336 /nfs/dbraw/zinc/70/73/36/618707336.db2.gz URCMCSUNSQEISP-LBPRGKRZSA-N 1 0 253.367 1.610 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000894661932 619006786 /nfs/dbraw/zinc/00/67/86/619006786.db2.gz GWVJQQDQZCFPEC-LJQANCHMSA-N 1 0 283.393 1.710 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@@H]2COCO2)ccc1OC ZINC000894871366 619112323 /nfs/dbraw/zinc/11/23/23/619112323.db2.gz BWGIIPRVHOTDBL-CQSZACIVSA-N 1 0 281.352 1.694 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)CCC(N)=O)c(O)c1 ZINC000896714833 620210985 /nfs/dbraw/zinc/21/09/85/620210985.db2.gz IQSJLGKVFMUYIZ-UHFFFAOYSA-N 1 0 266.341 1.488 20 10 CDCDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448816 626000057 /nfs/dbraw/zinc/00/00/57/626000057.db2.gz TWRUJYZRYXXJTK-XOKHGSTOSA-N 1 0 291.439 1.980 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000911783236 629500056 /nfs/dbraw/zinc/50/00/56/629500056.db2.gz ROBJQKMFHZQQAO-OAHLLOKOSA-N 1 0 275.396 1.800 20 10 CDCDRO C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000032113265 631529263 /nfs/dbraw/zinc/52/92/63/631529263.db2.gz INPLXEUPBNOTLR-UHFFFAOYSA-N 1 0 263.385 1.427 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)ccc2O)[C@H](C)C1 ZINC000809698081 1163065815 /nfs/dbraw/zinc/06/58/15/1163065815.db2.gz VNDGMDROKGHLBV-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)CO ZINC000877551963 1166056528 /nfs/dbraw/zinc/05/65/28/1166056528.db2.gz FPXHNXWMOREJRL-AWEZNQCLSA-N 1 0 292.423 1.850 20 10 CDCDRO C[N@H+](Cc1ccccc1O)Cc1ccncc1-c1nn[nH]n1 ZINC001579262756 1172128575 /nfs/dbraw/zinc/12/85/75/1172128575.db2.gz JVUOROOEKXWGGE-UHFFFAOYSA-N 1 0 296.334 1.599 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CNCCO2)c(Cl)c1 ZINC001579638283 1172230600 /nfs/dbraw/zinc/23/06/00/1172230600.db2.gz UQYSVAZMGOPOKJ-CQSZACIVSA-N 1 0 284.787 1.822 20 10 CDCDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)N1Cc2cccc(O)c2C1 ZINC001580757431 1172531939 /nfs/dbraw/zinc/53/19/39/1172531939.db2.gz VZLGCUXEAQXCCZ-ZBFHGGJFSA-N 1 0 287.363 1.702 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C)[C@H](C)C2)c1O ZINC000133897002 1175809525 /nfs/dbraw/zinc/80/95/25/1175809525.db2.gz VTYBMFMTSLPGCO-LLVKDONJSA-N 1 0 250.342 1.537 20 10 CDCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850577867 739334982 /nfs/dbraw/zinc/33/49/82/739334982.db2.gz DTRYDYYKFZMENX-UBHSHLNASA-N 1 0 294.370 1.836 20 10 CDCDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000789556542 739344079 /nfs/dbraw/zinc/34/40/79/739344079.db2.gz BUOQCLOUPZMOJR-AWEZNQCLSA-N 1 0 265.309 1.468 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C[NH3+])OC)cc1 ZINC000884180558 739425880 /nfs/dbraw/zinc/42/58/80/739425880.db2.gz CAIXHNTVKBHJIN-HNNXBMFYSA-N 1 0 293.411 1.465 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1cc(Cl)ccc1O ZINC000886745523 739468069 /nfs/dbraw/zinc/46/80/69/739468069.db2.gz ZORDZAAUEOFULJ-SECBINFHSA-N 1 0 283.759 1.721 20 10 CDCDRO Cc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC000876515614 739620241 /nfs/dbraw/zinc/62/02/41/739620241.db2.gz CJDBVHXNMRDUEH-CQSZACIVSA-N 1 0 264.369 1.463 20 10 CDCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827831934 739641382 /nfs/dbraw/zinc/64/13/82/739641382.db2.gz FPOLDNZZEPQRHO-MGCOHNPYSA-N 1 0 272.142 1.768 20 10 CDCDRO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC000824977695 739667471 /nfs/dbraw/zinc/66/74/71/739667471.db2.gz OGJJBTPPDHGIKD-OAHLLOKOSA-N 1 0 295.404 1.793 20 10 CDCDRO CS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921615172 739845551 /nfs/dbraw/zinc/84/55/51/739845551.db2.gz BUFCJLBYYDGGQP-UHFFFAOYSA-N 1 0 269.366 1.146 20 10 CDCDRO Cc1ccc(CN(C)[C@@H](C)CS(C)(=O)=O)c(O)c1 ZINC000876734501 739850576 /nfs/dbraw/zinc/85/05/76/739850576.db2.gz UZJRMNAKNJGANU-NSHDSACASA-N 1 0 271.382 1.566 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)NCCCSc1nccs1 ZINC000852805881 739859397 /nfs/dbraw/zinc/85/93/97/739859397.db2.gz OHNFLKOHPWBXKZ-SECBINFHSA-N 1 0 273.427 1.740 20 10 CDCDRO C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC000841857982 739861784 /nfs/dbraw/zinc/86/17/84/739861784.db2.gz XMKUIMGQSTUBFJ-DGCLKSJQSA-N 1 0 261.369 1.255 20 10 CDCDRO CN1CCN(C)[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000068802003 739885403 /nfs/dbraw/zinc/88/54/03/739885403.db2.gz RTCKDJWNIBKPKY-CYBMUJFWSA-N 1 0 283.803 1.381 20 10 CDCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120672 739893080 /nfs/dbraw/zinc/89/30/80/739893080.db2.gz AVDFMWPTIKNQJO-CYBMUJFWSA-N 1 0 279.359 1.011 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C(=O)NC ZINC000825316193 739917724 /nfs/dbraw/zinc/91/77/24/739917724.db2.gz LTSJZLWORQAKQV-GFCCVEGCSA-N 1 0 250.342 1.623 20 10 CDCDRO CCC[NH2+]CCNCc1ccc(N2CCOCC2)cc1 ZINC000841047123 739961948 /nfs/dbraw/zinc/96/19/48/739961948.db2.gz WSSBJXVTPRNHEM-UHFFFAOYSA-N 1 0 277.412 1.612 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)NC ZINC000825316873 740009541 /nfs/dbraw/zinc/00/95/41/740009541.db2.gz WLEZECDCFRRAJN-LBPRGKRZSA-N 1 0 267.348 1.506 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000883412388 740021959 /nfs/dbraw/zinc/02/19/59/740021959.db2.gz ZQKNNHJIEFERFT-LBPRGKRZSA-N 1 0 293.367 1.294 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752590 740022668 /nfs/dbraw/zinc/02/26/68/740022668.db2.gz PWJPYOGIUQTNLB-PSASIEDQSA-N 1 0 259.733 1.704 20 10 CDCDRO Cc1cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)ccc1N(C)C ZINC000815106860 740085946 /nfs/dbraw/zinc/08/59/46/740085946.db2.gz BVXPWFLMJQGWAY-ABAIWWIYSA-N 1 0 275.396 1.675 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(C(N)=O)CCOCC2)c1O ZINC000848892770 740191402 /nfs/dbraw/zinc/19/14/02/740191402.db2.gz GPJLUPQTAIVCMT-UHFFFAOYSA-N 1 0 292.379 1.326 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000232644708 740244881 /nfs/dbraw/zinc/24/48/81/740244881.db2.gz HLZZKNNYJBQAHL-SECBINFHSA-N 1 0 254.305 1.534 20 10 CDCDRO C[N@H+](Cc1ccc2ccccc2c1O)[C@H]1CCNC1=O ZINC000816521058 740345335 /nfs/dbraw/zinc/34/53/35/740345335.db2.gz FLUKFLLAJVAMJC-AWEZNQCLSA-N 1 0 270.332 1.866 20 10 CDCDRO C[N@H+](CC(=O)N1Cc2cccc(O)c2C1)C1CCC1 ZINC000881431334 740348075 /nfs/dbraw/zinc/34/80/75/740348075.db2.gz RAZXLUHQWYKEKY-UHFFFAOYSA-N 1 0 260.337 1.719 20 10 CDCDRO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(OC)c1O ZINC000019960070 740348648 /nfs/dbraw/zinc/34/86/48/740348648.db2.gz YUVCBDQMOKMXPO-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO COC1(CO)CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000775203648 740366612 /nfs/dbraw/zinc/36/66/12/740366612.db2.gz GJSXPBLGPDOSDP-UHFFFAOYSA-N 1 0 296.386 1.865 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000809768378 740464187 /nfs/dbraw/zinc/46/41/87/740464187.db2.gz JBVBWVNWXRXLKI-AWEZNQCLSA-N 1 0 267.369 1.918 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2COCC[C@H]2OC)cc1C ZINC000724885125 740457753 /nfs/dbraw/zinc/45/77/53/740457753.db2.gz ZYSLOWMNHDBQPZ-UKRRQHHQSA-N 1 0 265.353 1.897 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CCC(=O)N(C)C)cc1 ZINC000844400302 740480339 /nfs/dbraw/zinc/48/03/39/740480339.db2.gz ZTGUQAYHSPJTSA-UHFFFAOYSA-N 1 0 293.411 1.542 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816601117 740501161 /nfs/dbraw/zinc/50/11/61/740501161.db2.gz SAMWOJIXXFOVOQ-ZDUSSCGKSA-N 1 0 261.321 1.642 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCCC2)c1 ZINC000135728535 740505116 /nfs/dbraw/zinc/50/51/16/740505116.db2.gz XQKZEAJQEGCBIS-NSHDSACASA-N 1 0 278.352 1.674 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(F)ccc1O)C2 ZINC000848926775 740627463 /nfs/dbraw/zinc/62/74/63/740627463.db2.gz ZABWPABZABDOSY-NSHDSACASA-N 1 0 276.315 1.307 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(F)ccc1O ZINC000809785566 740709897 /nfs/dbraw/zinc/70/98/97/740709897.db2.gz YLPXVOBBLBCBQX-NSHDSACASA-N 1 0 286.372 1.489 20 10 CDCDRO CCN1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C ZINC000827311180 740817084 /nfs/dbraw/zinc/81/70/84/740817084.db2.gz WPAGCIFNLPAPMJ-SECBINFHSA-N 1 0 282.315 1.403 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000851665051 740843706 /nfs/dbraw/zinc/84/37/06/740843706.db2.gz PEMAHCDLTRNHJV-HNNXBMFYSA-N 1 0 290.411 1.595 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1c([O-])cccc1F ZINC000886521383 740847172 /nfs/dbraw/zinc/84/71/72/740847172.db2.gz ZRPZVLOHPYWCSP-IUCAKERBSA-N 1 0 252.289 1.413 20 10 CDCDRO CO[C@@H](C[NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000884306763 740877335 /nfs/dbraw/zinc/87/73/35/740877335.db2.gz NODVAXKTMLZABL-HNNXBMFYSA-N 1 0 293.411 1.463 20 10 CDCDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(C)cc1O ZINC000877124876 740889879 /nfs/dbraw/zinc/88/98/79/740889879.db2.gz RUDGDRFYKJSBBX-ZDUSSCGKSA-N 1 0 264.369 1.951 20 10 CDCDRO COc1ccc(O)c(CN(C)C2(C[NH3+])CCC2)c1 ZINC000385292852 740895121 /nfs/dbraw/zinc/89/51/21/740895121.db2.gz IMXQOVCJAVVEAR-UHFFFAOYSA-N 1 0 250.342 1.714 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[S@](C)=O ZINC000840938762 740931946 /nfs/dbraw/zinc/93/19/46/740931946.db2.gz GSLKAGLXTZSSIP-XIKOKIGWSA-N 1 0 268.426 1.918 20 10 CDCDRO c1cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc2c1OCC2 ZINC000830610041 740936535 /nfs/dbraw/zinc/93/65/35/740936535.db2.gz UCGXOUMARBNUEB-IYBDPMFKSA-N 1 0 288.391 1.574 20 10 CDCDRO COc1cccc(CN[C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841087721 740967027 /nfs/dbraw/zinc/96/70/27/740967027.db2.gz VDRPWPYYYGFWJS-GFCCVEGCSA-N 1 0 250.342 1.631 20 10 CDCDRO OCCCN1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834851269 740967387 /nfs/dbraw/zinc/96/73/87/740967387.db2.gz WBTGTMCZIWTVGK-CABCVRRESA-N 1 0 290.407 1.816 20 10 CDCDRO OCC1(CO)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000877798247 741046178 /nfs/dbraw/zinc/04/61/78/741046178.db2.gz JZAQUKTWJOZZJY-UHFFFAOYSA-N 1 0 269.316 1.098 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000323256430 741129995 /nfs/dbraw/zinc/12/99/95/741129995.db2.gz FTNVINAYWAOQKA-RYUDHWBXSA-N 1 0 251.326 1.794 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000877786317 741139783 /nfs/dbraw/zinc/13/97/83/741139783.db2.gz DYRPWEYPLCUIGT-UHFFFAOYSA-N 1 0 278.352 1.590 20 10 CDCDRO CC[N@H+](C)C[C@H](O)CN[C@H](C)c1cc(OC)ccc1O ZINC000846843443 741164812 /nfs/dbraw/zinc/16/48/12/741164812.db2.gz CMWMBOHDCOTSCW-VXGBXAGGSA-N 1 0 282.384 1.364 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876580082 741180043 /nfs/dbraw/zinc/18/00/43/741180043.db2.gz DWVMHOYAOHZAIX-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2CC2)cc1F ZINC000237082450 741204302 /nfs/dbraw/zinc/20/43/02/741204302.db2.gz UYXHXXZZZRJQQF-UHFFFAOYSA-N 1 0 265.332 1.260 20 10 CDCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877049974 741297891 /nfs/dbraw/zinc/29/78/91/741297891.db2.gz WMLSAADOCAYHRS-GXFFZTMASA-N 1 0 255.383 1.903 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCC(=O)O2)cc1 ZINC000852211529 741440028 /nfs/dbraw/zinc/44/00/28/741440028.db2.gz MJUIAYWBINCTRY-OAHLLOKOSA-N 1 0 292.379 1.769 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCN2C)c1 ZINC000712537514 741653395 /nfs/dbraw/zinc/65/33/95/741653395.db2.gz ZRHPNNVVZXMBRC-GHMZBOCLSA-N 1 0 250.342 1.756 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000828666756 741663634 /nfs/dbraw/zinc/66/36/34/741663634.db2.gz IFMAQEXJKVZNAD-VHSXEESVSA-N 1 0 278.352 1.719 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)[C@H](C)O ZINC000929753348 741745767 /nfs/dbraw/zinc/74/57/67/741745767.db2.gz NXBPINKQXZBPBB-FZMZJTMJSA-N 1 0 253.342 1.346 20 10 CDCDRO COC[C@]1(C(=O)N[C@H](C)c2ccccc2O)CC[NH2+]C1 ZINC000870987703 741832152 /nfs/dbraw/zinc/83/21/52/741832152.db2.gz AQKFTPSMOJBCGX-ABAIWWIYSA-N 1 0 278.352 1.196 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)NC(C)C ZINC000840928122 741775537 /nfs/dbraw/zinc/77/55/37/741775537.db2.gz KZTKXPHPNVWVOC-UHFFFAOYSA-N 1 0 263.385 1.675 20 10 CDCDRO CC[NH2+][C@H](C)CN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817972230 741823055 /nfs/dbraw/zinc/82/30/55/741823055.db2.gz KKZNAAJOMCLODN-GHMZBOCLSA-N 1 0 280.368 1.827 20 10 CDCDRO O=C1N[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]2CO1 ZINC000281319671 741845854 /nfs/dbraw/zinc/84/58/54/741845854.db2.gz RAVHSSNPEMDPTG-SKDRFNHKSA-N 1 0 280.299 1.462 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970870 741861412 /nfs/dbraw/zinc/86/14/12/741861412.db2.gz GNAFJKRNKBGUPO-GMXVVIOVSA-N 1 0 292.379 1.970 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858086131 741870867 /nfs/dbraw/zinc/87/08/67/741870867.db2.gz BBVFYSQYXDRHNG-JTQLQIEISA-N 1 0 258.312 1.891 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000817970871 741877032 /nfs/dbraw/zinc/87/70/32/741877032.db2.gz GNAFJKRNKBGUPO-GVXVVHGQSA-N 1 0 292.379 1.970 20 10 CDCDRO C[C@@H](N[C@@H](C)c1nnnn1C)c1ccc(N(C)C)cc1 ZINC000786785596 741877348 /nfs/dbraw/zinc/87/73/48/741877348.db2.gz PACKCUCZPDTVME-MNOVXSKESA-N 1 0 274.372 1.688 20 10 CDCDRO CCCN(Cc1ncnn1C)c1ccc(C[NH3+])cc1 ZINC000088571876 741882928 /nfs/dbraw/zinc/88/29/28/741882928.db2.gz ZVDFTPITXWPZCM-UHFFFAOYSA-N 1 0 259.357 1.690 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)ccc1N(C)C ZINC000878982273 741883004 /nfs/dbraw/zinc/88/30/04/741883004.db2.gz YPTJDKUVAWXTSM-HOCLYGCPSA-N 1 0 278.396 1.379 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c(O)cc1C ZINC000840174847 742028114 /nfs/dbraw/zinc/02/81/14/742028114.db2.gz OLLXIFNVYVVZJZ-LBPRGKRZSA-N 1 0 292.379 1.619 20 10 CDCDRO C[C@H](C[NH3+])NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850029 742045046 /nfs/dbraw/zinc/04/50/46/742045046.db2.gz UTACRVVLMCVHIJ-SECBINFHSA-N 1 0 290.392 1.393 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817980857 742068211 /nfs/dbraw/zinc/06/82/11/742068211.db2.gz FBOPDOODSKXVCE-PWSUYJOCSA-N 1 0 295.339 1.330 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000848411226 742072584 /nfs/dbraw/zinc/07/25/84/742072584.db2.gz YHSPUFQJNDRHHG-ZDUSSCGKSA-N 1 0 291.395 1.342 20 10 CDCDRO CCN(C)c1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)cc1 ZINC000881313387 741989026 /nfs/dbraw/zinc/98/90/26/741989026.db2.gz LADNZQXLKHFTBX-OAHLLOKOSA-N 1 0 299.422 1.935 20 10 CDCDRO CC[NH+](CC)CCCNC(=O)NCCc1ccc(N)cc1 ZINC000841615767 742300570 /nfs/dbraw/zinc/30/05/70/742300570.db2.gz FSXGRBIWCHOLDT-UHFFFAOYSA-N 1 0 292.427 1.842 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000011805368 742375103 /nfs/dbraw/zinc/37/51/03/742375103.db2.gz RYJQTEVWVCXPKG-HNNXBMFYSA-N 1 0 289.379 1.096 20 10 CDCDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000857226389 742419012 /nfs/dbraw/zinc/41/90/12/742419012.db2.gz MTYLEFNJZAVLRM-NHYWBVRUSA-N 1 0 276.336 1.434 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3OCC[C@@H]3C1)OCO2 ZINC000724813442 739357709 /nfs/dbraw/zinc/35/77/09/739357709.db2.gz CALHUABVECFQAF-MFKMUULPSA-N 1 0 277.320 1.732 20 10 CDCDRO CC[C@]1(O)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000779218552 739375605 /nfs/dbraw/zinc/37/56/05/739375605.db2.gz GTRBAELMAYVVAJ-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC=CO1)OCO2 ZINC000380031255 739376367 /nfs/dbraw/zinc/37/63/67/739376367.db2.gz ZWUWHVFNBCHYLF-LLVKDONJSA-N 1 0 263.293 1.903 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CC(=O)N(C)OC)cc1 ZINC000397516267 739479832 /nfs/dbraw/zinc/47/98/32/739479832.db2.gz ALZJNADUSKRBDP-UHFFFAOYSA-N 1 0 279.384 1.642 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC(C)(C)[NH3+])c1 ZINC000841951129 739500503 /nfs/dbraw/zinc/50/05/03/739500503.db2.gz RKEPVHRDRCVDRE-VIFPVBQESA-N 1 0 281.356 1.498 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)C(=O)NC)c1 ZINC000825316828 739570157 /nfs/dbraw/zinc/57/01/57/739570157.db2.gz VKYWIWIXPXAMQN-LBPRGKRZSA-N 1 0 266.341 1.405 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000036871268 739657692 /nfs/dbraw/zinc/65/76/92/739657692.db2.gz LHBNBBNRTNYSGI-AWEZNQCLSA-N 1 0 277.368 1.081 20 10 CDCDRO CO[C@H](C)CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832285764 739669735 /nfs/dbraw/zinc/66/97/35/739669735.db2.gz UCYHNZRDJYDZIE-IUODEOHRSA-N 1 0 293.411 1.684 20 10 CDCDRO CCNC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000848993523 739711604 /nfs/dbraw/zinc/71/16/04/739711604.db2.gz DEZYWVRJSDADCU-UHFFFAOYSA-N 1 0 278.425 1.874 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)NCCCSc1nccs1 ZINC000829527822 739834536 /nfs/dbraw/zinc/83/45/36/739834536.db2.gz GTLMUGSGLKTUSK-MRVPVSSYSA-N 1 0 259.400 1.479 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000788536532 739868724 /nfs/dbraw/zinc/86/87/24/739868724.db2.gz PUEFYAHZRJNOHT-QMTHXVAHSA-N 1 0 267.325 1.030 20 10 CDCDRO CC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)COC1 ZINC000877690943 739874668 /nfs/dbraw/zinc/87/46/68/739874668.db2.gz GTYQJXIAAVOBJR-UHFFFAOYSA-N 1 0 276.380 1.526 20 10 CDCDRO CCCN(CC[NH+](C)C)C(=O)c1cccc(O)c1O ZINC000126368270 739882804 /nfs/dbraw/zinc/88/28/04/739882804.db2.gz BMKYIRRXZNPCLZ-UHFFFAOYSA-N 1 0 266.341 1.512 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000840974378 739903859 /nfs/dbraw/zinc/90/38/59/739903859.db2.gz IBLVNUZGTADUOI-UHFFFAOYSA-N 1 0 277.368 1.594 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1 ZINC000852496203 739905733 /nfs/dbraw/zinc/90/57/33/739905733.db2.gz PYFGQVLSXJEOGL-MRXNPFEDSA-N 1 0 278.396 1.990 20 10 CDCDRO C[NH2+][C@@H](C)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881376936 740002306 /nfs/dbraw/zinc/00/23/06/740002306.db2.gz AVGGPSIBSXIDCG-LBPRGKRZSA-N 1 0 273.384 1.981 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000828667207 740033008 /nfs/dbraw/zinc/03/30/08/740033008.db2.gz OCQUQBNZVACNQN-JBLDHEPKSA-N 1 0 278.352 1.576 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846166837 740141704 /nfs/dbraw/zinc/14/17/04/740141704.db2.gz DIHHJBMLRUPDBU-VHSXEESVSA-N 1 0 255.314 1.059 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1O ZINC000848562495 740198899 /nfs/dbraw/zinc/19/88/99/740198899.db2.gz DTDFSVJMBHREPS-KOLCDFICSA-N 1 0 290.342 1.868 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000042168768 740212090 /nfs/dbraw/zinc/21/20/90/740212090.db2.gz PKPQFYZQJATOSB-CQSZACIVSA-N 1 0 275.396 1.853 20 10 CDCDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(N)cc1 ZINC000841296698 740277362 /nfs/dbraw/zinc/27/73/62/740277362.db2.gz XIDJCTOIEBJDPJ-UHFFFAOYSA-N 1 0 262.357 1.827 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](OC)C2CC2)c(O)c1 ZINC000393506145 740297293 /nfs/dbraw/zinc/29/72/93/740297293.db2.gz XDXGIBYHSVRGMW-AWEZNQCLSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1cccc(CN2CCC([NH+](C)C)CC2)c1O ZINC000132208752 740382753 /nfs/dbraw/zinc/38/27/53/740382753.db2.gz MUXPSSHRYDYDDF-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1O ZINC000846168853 740419446 /nfs/dbraw/zinc/41/94/46/740419446.db2.gz MRWCMUUKLXVWRL-GFCCVEGCSA-N 1 0 294.395 1.508 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c(O)c1 ZINC000877578421 740440532 /nfs/dbraw/zinc/44/05/32/740440532.db2.gz CJLFWYKJYPEBIS-UONOGXRCSA-N 1 0 274.364 1.944 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876651522 740472282 /nfs/dbraw/zinc/47/22/82/740472282.db2.gz DJAIAYYGVOTXQP-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC(C)(C)C[NH3+])cc1 ZINC000841651913 740571288 /nfs/dbraw/zinc/57/12/88/740571288.db2.gz CFILZPVNYJNZNJ-UHFFFAOYSA-N 1 0 264.373 1.289 20 10 CDCDRO [NH3+]CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841922511 740637543 /nfs/dbraw/zinc/63/75/43/740637543.db2.gz LBMVCXZONDGFCW-UHFFFAOYSA-N 1 0 263.341 1.029 20 10 CDCDRO COc1ccc(N2CC[NH+](CC[C@@H](C)O)CC2)c(OC)c1 ZINC000879462805 740642416 /nfs/dbraw/zinc/64/24/16/740642416.db2.gz XQLLJJIUUFQMSI-CYBMUJFWSA-N 1 0 294.395 1.597 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC(C)(C)[NH3+])c1 ZINC000828666432 740698234 /nfs/dbraw/zinc/69/82/34/740698234.db2.gz CIZWGYXMPNBSDF-SECBINFHSA-N 1 0 266.341 1.705 20 10 CDCDRO COc1cc(Cl)cc(CN2CCC[NH2+]CC2)c1O ZINC000229102431 740792377 /nfs/dbraw/zinc/79/23/77/740792377.db2.gz KKBHVTFPSHOHEX-UHFFFAOYSA-N 1 0 270.760 1.850 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC1CC1 ZINC000850389471 741103674 /nfs/dbraw/zinc/10/36/74/741103674.db2.gz XSYKCPRLSAEMRC-LLVKDONJSA-N 1 0 279.336 1.619 20 10 CDCDRO CS[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299668 741184370 /nfs/dbraw/zinc/18/43/70/741184370.db2.gz FVCCBEPLBHONDP-MFKMUULPSA-N 1 0 281.425 1.620 20 10 CDCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320524 741272553 /nfs/dbraw/zinc/27/25/53/741272553.db2.gz KUPXOKPDZAWITM-GFCCVEGCSA-N 1 0 293.436 1.451 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C[NH2+]C ZINC000092134359 741299068 /nfs/dbraw/zinc/29/90/68/741299068.db2.gz WGPNHXHQHRWOPE-ZDUSSCGKSA-N 1 0 277.412 1.957 20 10 CDCDRO OCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000305737388 741495212 /nfs/dbraw/zinc/49/52/12/741495212.db2.gz URWUHMYRXQLSEW-UHFFFAOYSA-N 1 0 294.370 1.619 20 10 CDCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC(=O)N1 ZINC000922170630 741544982 /nfs/dbraw/zinc/54/49/82/741544982.db2.gz SVXODXVQEVJZJW-MRXNPFEDSA-N 1 0 274.364 1.770 20 10 CDCDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000136827687 741582445 /nfs/dbraw/zinc/58/24/45/741582445.db2.gz BSBHCBFVARJZNG-MNOVXSKESA-N 1 0 279.336 1.714 20 10 CDCDRO C[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725943 741596032 /nfs/dbraw/zinc/59/60/32/741596032.db2.gz QPAVGMUXAKTLNZ-CHWSQXEVSA-N 1 0 291.395 1.295 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1Cc1c(O)cccc1OC ZINC000843055198 741707323 /nfs/dbraw/zinc/70/73/23/741707323.db2.gz GPTUNXRHVAPJER-LLVKDONJSA-N 1 0 250.342 1.585 20 10 CDCDRO COC[C@@]1(CN[C@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000817974389 741794090 /nfs/dbraw/zinc/79/40/90/741794090.db2.gz LCSGZFOGZVXTQW-DOMZBBRYSA-N 1 0 264.369 1.811 20 10 CDCDRO CCC[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000048596070 741797672 /nfs/dbraw/zinc/79/76/72/741797672.db2.gz BQAGZPWBBBFCGC-UHFFFAOYSA-N 1 0 275.396 1.802 20 10 CDCDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649529 741826780 /nfs/dbraw/zinc/82/67/80/741826780.db2.gz VOWBOJSYVOWSCJ-XQQFMLRXSA-N 1 0 283.368 1.455 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000857061175 741865371 /nfs/dbraw/zinc/86/53/71/741865371.db2.gz LEVNLAQBPFFZBE-YPMHNXCESA-N 1 0 265.353 1.851 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnsn2)cc1 ZINC000832274074 741931262 /nfs/dbraw/zinc/93/12/62/741931262.db2.gz RTHVXNAHOZICNI-NSHDSACASA-N 1 0 291.380 1.034 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000169104158 741986431 /nfs/dbraw/zinc/98/64/31/741986431.db2.gz LYHRRKZVVFZCCO-AWEZNQCLSA-N 1 0 275.396 1.819 20 10 CDCDRO C[NH2+]C[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000853248311 742011472 /nfs/dbraw/zinc/01/14/72/742011472.db2.gz CYFCDHOBKAZUGB-MRVPVSSYSA-N 1 0 269.301 1.007 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[NH2+]C1CC1 ZINC000848415413 742096733 /nfs/dbraw/zinc/09/67/33/742096733.db2.gz UIMIARVZYBTHFT-UHFFFAOYSA-N 1 0 275.396 1.819 20 10 CDCDRO [NH3+][C@@H](CC(F)F)C(=O)NCCCSc1nccs1 ZINC000829528275 742254447 /nfs/dbraw/zinc/25/44/47/742254447.db2.gz NVGCBSHEEGWAIN-ZETCQYMHSA-N 1 0 295.380 1.724 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CC[S@](C)=O ZINC000877088227 742458849 /nfs/dbraw/zinc/45/88/49/742458849.db2.gz DHOGUKDYUIPSMZ-DIFFPNOSSA-N 1 0 255.383 1.947 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000817958406 742482956 /nfs/dbraw/zinc/48/29/56/742482956.db2.gz JMQJQNYXACZMDN-GXFFZTMASA-N 1 0 280.368 1.813 20 10 CDCDRO COc1ccc(C[NH2+]Cc2c(C)cnn2C)c(O)c1 ZINC000394103529 742624466 /nfs/dbraw/zinc/62/44/66/742624466.db2.gz XUWZMQNLZWQSKO-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000844177228 742644372 /nfs/dbraw/zinc/64/43/72/742644372.db2.gz CPTIWISLQULOSB-FZMZJTMJSA-N 1 0 293.386 1.896 20 10 CDCDRO C[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000847296339 742834734 /nfs/dbraw/zinc/83/47/34/742834734.db2.gz FLCVHWGLVBDCEH-GFCCVEGCSA-N 1 0 286.379 1.971 20 10 CDCDRO CCC[C@@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001252804249 1165513170 /nfs/dbraw/zinc/51/31/70/1165513170.db2.gz IORBARIXXPSGBH-SNVBAGLBSA-N 1 0 253.298 1.031 20 10 CDCDRO CN(C)c1cc[nH+]cc1NC(=O)Cc1ccc(N)cc1 ZINC000037013678 1165758002 /nfs/dbraw/zinc/75/80/02/1165758002.db2.gz YLPYLFCDUMNFHR-UHFFFAOYSA-N 1 0 270.336 1.911 20 10 CDCDRO CS(=O)(=O)c1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173883552 912890652 /nfs/dbraw/zinc/89/06/52/912890652.db2.gz SOWIFGBZLJYIFL-UHFFFAOYSA-N 1 0 264.306 1.356 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(O)c1O ZINC000780916297 899741164 /nfs/dbraw/zinc/74/11/64/899741164.db2.gz VCRMYRKNITVTON-LBPRGKRZSA-N 1 0 292.379 1.866 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2CC3(C2)CC[N@H+](C)C3)cc1 ZINC001270933789 905461897 /nfs/dbraw/zinc/46/18/97/905461897.db2.gz XFSDCWNROMTIJL-RMKNXTFCSA-N 1 0 299.418 1.930 20 10 CDCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001272988519 921307227 /nfs/dbraw/zinc/30/72/27/921307227.db2.gz SVFNKKDRQZVFPI-ZDUSSCGKSA-N 1 0 290.363 1.446 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000697642421 908916019 /nfs/dbraw/zinc/91/60/19/908916019.db2.gz NMRWLLRYTASUGZ-SNVBAGLBSA-N 1 0 271.382 1.477 20 10 CDCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C(=O)NC ZINC000697828786 909317272 /nfs/dbraw/zinc/31/72/72/909317272.db2.gz ZAHOVSUCSGMKJR-SNVBAGLBSA-N 1 0 256.733 1.660 20 10 CDCDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCCC1 ZINC000160726949 910108401 /nfs/dbraw/zinc/10/84/01/910108401.db2.gz ROWGVOYOUHVNDU-GFCCVEGCSA-N 1 0 261.369 1.412 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCN(C3CC3)C(=O)C2)c1O ZINC001172014171 911103038 /nfs/dbraw/zinc/10/30/38/911103038.db2.gz VAUFVYAAQPKSPR-ZDUSSCGKSA-N 1 0 274.364 1.944 20 10 CDCDRO O=C1CC[C@@H]2C[C@@H]([NH2+]Cc3ccccc3O)CCN12 ZINC001172146664 911357095 /nfs/dbraw/zinc/35/70/95/911357095.db2.gz MNUAXMICKGGYTQ-QWHCGFSZSA-N 1 0 260.337 1.635 20 10 CDCDRO COC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124758832 917610963 /nfs/dbraw/zinc/61/09/63/917610963.db2.gz ANKAHWYGTWFZNV-CYBMUJFWSA-N 1 0 294.395 1.492 20 10 CDCDRO O=C(N1CCc2cccc(O)c2C1)C12CCC[NH+]1CCC2 ZINC001183556541 918524896 /nfs/dbraw/zinc/52/48/96/918524896.db2.gz FXOKQVKYHRIQOX-UHFFFAOYSA-N 1 0 286.375 1.905 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)ccc21 ZINC001138354546 936525430 /nfs/dbraw/zinc/52/54/30/936525430.db2.gz MZGSFUGYQFUDAT-WBVHZDCISA-N 1 0 290.407 1.244 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC(CO)C2)c(OC)c1 ZINC001138390260 936529862 /nfs/dbraw/zinc/52/98/62/936529862.db2.gz ZWVBXVZEWLFIHC-UHFFFAOYSA-N 1 0 278.396 1.966 20 10 CDCDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205228717 919213497 /nfs/dbraw/zinc/21/34/97/919213497.db2.gz IHEGKODETMRQGR-AWEZNQCLSA-N 1 0 286.322 1.346 20 10 CDCDRO COc1ccc(O)c(CN2CCC(=O)[C@@H](F)CC2)c1 ZINC001203670322 920703943 /nfs/dbraw/zinc/70/39/43/920703943.db2.gz NVVLZVLJRQLVBM-LBPRGKRZSA-N 1 0 267.300 1.904 20 10 CDCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001140338111 936702894 /nfs/dbraw/zinc/70/28/94/936702894.db2.gz VQRHJSQMDQIRQY-JQWIXIFHSA-N 1 0 259.708 1.950 20 10 CDCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140624122 936732648 /nfs/dbraw/zinc/73/26/48/936732648.db2.gz HHDPRPFYBPFAJF-CQSZACIVSA-N 1 0 292.379 1.428 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1O ZINC001140741977 936748012 /nfs/dbraw/zinc/74/80/12/936748012.db2.gz GDTJTCSYZLXBIS-AWEZNQCLSA-N 1 0 292.379 1.313 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(OC)c1 ZINC001141029329 936794731 /nfs/dbraw/zinc/79/47/31/936794731.db2.gz PXZQZZSNSCGKSM-SNVBAGLBSA-N 1 0 294.351 1.107 20 10 CDCDRO COc1cc(O)c(CN2CC[N@H+](C)C(C)(C)C2)c(OC)c1 ZINC001141029177 936795003 /nfs/dbraw/zinc/79/50/03/936795003.db2.gz LEYGVBHEXGVPEG-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4CCO[C@@H]4C3)ccc21 ZINC001141144322 936819539 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ZINC001205863460 925696676 /nfs/dbraw/zinc/69/66/76/925696676.db2.gz VJKNVYLCLSCICG-KOLCDFICSA-N 1 0 266.341 1.276 20 10 CDCDRO COC(=O)Cc1cc(NCc2ccc(O)c(O)c2)cc[nH+]1 ZINC001169996610 928906511 /nfs/dbraw/zinc/90/65/11/928906511.db2.gz DGXVSOFXEYPNNZ-UHFFFAOYSA-N 1 0 288.303 1.820 20 10 CDCDRO CC[N@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862212421 929386444 /nfs/dbraw/zinc/38/64/44/929386444.db2.gz ROKWZNLIBZDJQY-UHFFFAOYSA-N 1 0 258.312 1.845 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817945128 930641796 /nfs/dbraw/zinc/64/17/96/930641796.db2.gz UYGVIMOTRSUNCM-SNVBAGLBSA-N 1 0 285.338 1.226 20 10 CDCDRO COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2CCC[NH2+]2)c1 ZINC000817952619 930644321 /nfs/dbraw/zinc/64/43/21/930644321.db2.gz RWIMDHOHGIXWFU-PWSUYJOCSA-N 1 0 278.352 1.581 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)cc1CC ZINC001170993877 931183010 /nfs/dbraw/zinc/18/30/10/931183010.db2.gz CQTKEMWULKAWDX-UHFFFAOYSA-N 1 0 280.368 1.586 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825391642 931504009 /nfs/dbraw/zinc/50/40/09/931504009.db2.gz ZVXKMTWVXHQXMB-NSHDSACASA-N 1 0 273.760 1.841 20 10 CDCDRO Oc1cc(O)c(CN2CC[NH+](C3CCCC3)CC2)c(O)c1 ZINC001144509337 931876128 /nfs/dbraw/zinc/87/61/28/931876128.db2.gz TVCLRNRVLGIABO-UHFFFAOYSA-N 1 0 292.379 1.864 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC2(CC[N@@H+]2C)C1 ZINC001276368355 935598118 /nfs/dbraw/zinc/59/81/18/935598118.db2.gz LLWKJTNVVSKFLT-UHFFFAOYSA-N 1 0 275.396 1.651 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)OC)cc1C ZINC001124293282 936305482 /nfs/dbraw/zinc/30/54/82/936305482.db2.gz QTFIZBGLNZTERI-GFCCVEGCSA-N 1 0 280.368 1.244 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C23CC(C2)C[NH2+]3)cc1F ZINC001121915469 937889849 /nfs/dbraw/zinc/88/98/49/937889849.db2.gz FNINNQPQXKVWCW-UHFFFAOYSA-N 1 0 277.343 1.260 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3ccncn3)cc2)CC1 ZINC001156650915 938401158 /nfs/dbraw/zinc/40/11/58/938401158.db2.gz GZIODBPQIBHMIO-UHFFFAOYSA-N 1 0 283.379 1.841 20 10 CDCDRO Cc1cccc(CNc2cncc(N3CC[NH2+]CC3)n2)c1O ZINC001160769061 938825400 /nfs/dbraw/zinc/82/54/00/938825400.db2.gz JBUONJODVSIBNY-UHFFFAOYSA-N 1 0 299.378 1.512 20 10 CDCDRO Cc1cccc(CNc2cc(C3C[NH2+]C3)ncn2)c1O ZINC001160771259 938826484 /nfs/dbraw/zinc/82/64/84/938826484.db2.gz QEKFYESIIRQUDT-UHFFFAOYSA-N 1 0 270.336 1.790 20 10 CDCDRO COc1cccc(C[NH+]2CCC(n3cnnc3)CC2)c1O ZINC001203597319 939695264 /nfs/dbraw/zinc/69/52/64/939695264.db2.gz ZVXYOWZJAXPQCS-UHFFFAOYSA-N 1 0 288.351 1.829 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1 ZINC001203669616 939700268 /nfs/dbraw/zinc/70/02/68/939700268.db2.gz GLLALBKMTAESDS-SGIREYDYSA-N 1 0 293.363 1.373 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c1 ZINC001203669405 939700307 /nfs/dbraw/zinc/70/03/07/939700307.db2.gz AZSMYCFUOJJJTJ-IAQYHMDHSA-N 1 0 265.353 1.994 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874560 939710594 /nfs/dbraw/zinc/71/05/94/939710594.db2.gz AJMFTTQXWANMPQ-SNVBAGLBSA-N 1 0 251.282 1.093 20 10 CDCDRO O=C1CCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)N1 ZINC001203883251 939711454 /nfs/dbraw/zinc/71/14/54/939711454.db2.gz GQPDVNALRCGVBQ-UHFFFAOYSA-N 1 0 276.336 1.342 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)cc1 ZINC001203937452 939715117 /nfs/dbraw/zinc/71/51/17/939715117.db2.gz QZPYMDLWVLTRTC-UHFFFAOYSA-N 1 0 288.395 1.400 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)cc(O)c1O ZINC001204343429 939757458 /nfs/dbraw/zinc/75/74/58/939757458.db2.gz QCOCOXUKWIAQEX-BMIGLBTASA-N 1 0 281.352 1.699 20 10 CDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001205182612 939833052 /nfs/dbraw/zinc/83/30/52/939833052.db2.gz CUBMKAYECWNHPC-CXAGYDPISA-N 1 0 289.423 1.569 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC[C@@H]1C[NH3+] ZINC001205626779 939910219 /nfs/dbraw/zinc/91/02/19/939910219.db2.gz JBSJGITYMQUKND-WCQYABFASA-N 1 0 292.379 1.897 20 10 CDCDRO COc1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206117386 939982447 /nfs/dbraw/zinc/98/24/47/939982447.db2.gz NCTGDBLSGYTGHT-JTQLQIEISA-N 1 0 272.295 1.569 20 10 CDCDRO Cc1cccc(CN2C[C@H]([NH3+])CC(F)(F)C2)c1O ZINC001206133187 939984455 /nfs/dbraw/zinc/98/44/55/939984455.db2.gz ZCLDUEIQDIJYNB-LLVKDONJSA-N 1 0 256.296 1.869 20 10 CDCDRO COc1cc(C)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206146000 939986361 /nfs/dbraw/zinc/98/63/61/939986361.db2.gz NLVOCUGNOJLJFE-JTQLQIEISA-N 1 0 286.322 1.878 20 10 CDCDRO COc1cc(CN2CCCC[C@@](F)(C[NH3+])C2)c(O)cc1O ZINC001206361067 940026470 /nfs/dbraw/zinc/02/64/70/940026470.db2.gz FITZHVADXOGGBS-OAHLLOKOSA-N 1 0 298.358 1.759 20 10 CDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206415385 940034616 /nfs/dbraw/zinc/03/46/16/940034616.db2.gz VWSKZHMSUPVZSF-HUUCEWRRSA-N 1 0 293.386 1.394 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1O ZINC000179896429 940834639 /nfs/dbraw/zinc/83/46/39/940834639.db2.gz BZXUVPMRFSNLBK-LBPRGKRZSA-N 1 0 279.336 1.928 20 10 CDCDRO CCOc1ccc(CN2CC3(C2)CC[N@H+](C)C3)c(O)c1 ZINC001276814667 941456924 /nfs/dbraw/zinc/45/69/24/941456924.db2.gz JWEFVAQFMHIDQL-UHFFFAOYSA-N 1 0 276.380 1.928 20 10 CDCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231594482 942938198 /nfs/dbraw/zinc/93/81/98/942938198.db2.gz GGRRWKTVKOGSBR-CQSZACIVSA-N 1 0 292.379 1.428 20 10 CDCDRO COc1cc(C[NH+]2CC(C3COC3)C2)c(O)cc1O ZINC001231633879 942949012 /nfs/dbraw/zinc/94/90/12/942949012.db2.gz BTHUWEVYJDSMLI-UHFFFAOYSA-N 1 0 265.309 1.185 20 10 CDCDRO COc1cc(CN2CC([NH+]3CCCC3)C2)c(O)cc1O ZINC001231635415 942950698 /nfs/dbraw/zinc/95/06/98/942950698.db2.gz IFGHZJHEIQHECT-UHFFFAOYSA-N 1 0 278.352 1.386 20 10 CDCDRO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)cc1O ZINC001231635552 942952012 /nfs/dbraw/zinc/95/20/12/942952012.db2.gz FHGDVYPAEVPCJR-GFCCVEGCSA-N 1 0 278.352 1.386 20 10 CDCDRO COCC[N@H+](Cc1cc(OC)c(O)cc1O)C(C)C ZINC001231634956 942952539 /nfs/dbraw/zinc/95/25/39/942952539.db2.gz BXUNQCZEFNBEQN-UHFFFAOYSA-N 1 0 269.341 1.963 20 10 CDCDRO COc1cc(C[N@H+](C)CCC2OCCO2)c(O)cc1O ZINC001231637458 942955012 /nfs/dbraw/zinc/95/50/12/942955012.db2.gz MSDYVRRSLHQDJK-UHFFFAOYSA-N 1 0 283.324 1.301 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001231848541 943028731 /nfs/dbraw/zinc/02/87/31/943028731.db2.gz IDOJLDRXOAJXKE-CQSZACIVSA-N 1 0 264.369 1.718 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001232834676 943412502 /nfs/dbraw/zinc/41/25/02/943412502.db2.gz JJUPJTRMGKMBIT-GXTWGEPZSA-N 1 0 268.332 1.363 20 10 CDCDRO CN(C)c1ccc(CN(C)CC[NH+]2CCCC2)c(O)c1 ZINC001232838678 943416233 /nfs/dbraw/zinc/41/62/33/943416233.db2.gz BKJLHIZQBVNLKM-UHFFFAOYSA-N 1 0 277.412 1.986 20 10 CDCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N(C)C)cc1O ZINC001232841819 943417131 /nfs/dbraw/zinc/41/71/31/943417131.db2.gz SYFGCPYJDHKCID-GJZGRUSLSA-N 1 0 275.396 1.737 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232840786 943417317 /nfs/dbraw/zinc/41/73/17/943417317.db2.gz IWYZNRLQAAYNIB-UHFFFAOYSA-N 1 0 266.341 1.453 20 10 CDCDRO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)cc2O)[C@@H](C)C1 ZINC001232841214 943417584 /nfs/dbraw/zinc/41/75/84/943417584.db2.gz YNIUWPBSYCZNKQ-LBPRGKRZSA-N 1 0 291.395 1.511 20 10 CDCDRO Oc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc(O)c1O ZINC001233014056 943463422 /nfs/dbraw/zinc/46/34/22/943463422.db2.gz XUAPYCDOPIVLEJ-CYBMUJFWSA-N 1 0 292.379 1.864 20 10 CDCDRO Oc1cc(O)c(CN2CC([NH+]3CCC(F)CC3)C2)cc1O ZINC001233485701 943594596 /nfs/dbraw/zinc/59/45/96/943594596.db2.gz HPIMNWXUJPHSAR-UHFFFAOYSA-N 1 0 296.342 1.422 20 10 CDCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1c(O)cccc1F ZINC001235453379 944162624 /nfs/dbraw/zinc/16/26/24/944162624.db2.gz YHPUVTYCXHUZPR-ZDUSSCGKSA-N 1 0 252.333 1.961 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(Br)ccc1O)C2 ZINC001236016287 944373844 /nfs/dbraw/zinc/37/38/44/944373844.db2.gz PAVUBPHLSPULKE-BXKDBHETSA-N 1 0 283.169 1.688 20 10 CDCDRO CC1(C)[NH2+]C[C@@H](CN2CCc3cccc(O)c3C2)O1 ZINC001236073618 944400001 /nfs/dbraw/zinc/40/00/01/944400001.db2.gz VPQPBJACSTYIMY-LBPRGKRZSA-N 1 0 262.353 1.475 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001236172385 944421767 /nfs/dbraw/zinc/42/17/67/944421767.db2.gz ZGGMHIHYPZGGOK-CQSZACIVSA-N 1 0 275.396 1.181 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001236173917 944423627 /nfs/dbraw/zinc/42/36/27/944423627.db2.gz NMIAHSLPQLZARX-JTQLQIEISA-N 1 0 260.259 1.944 20 10 CDCDRO [O-]c1c(Cl)cc(F)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236298138 944456090 /nfs/dbraw/zinc/45/60/90/944456090.db2.gz SWBSXTZPQDDHAP-KCJUWKMLSA-N 1 0 256.708 1.588 20 10 CDCDRO CCN(CC[NH+](C)C)Cc1cc(OC)c(OC)cc1O ZINC001236751299 944558415 /nfs/dbraw/zinc/55/84/15/944558415.db2.gz STFBCVBJDSNIOR-UHFFFAOYSA-N 1 0 282.384 1.793 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC001236783679 944566801 /nfs/dbraw/zinc/56/68/01/944566801.db2.gz OECCWFXHHGUJJQ-CYBMUJFWSA-N 1 0 262.353 1.652 20 10 CDCDRO CNC(=O)C[N@H+](C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236801172 944574039 /nfs/dbraw/zinc/57/40/39/944574039.db2.gz GWHYLBKESZTSMV-UHFFFAOYSA-N 1 0 272.732 1.232 20 10 CDCDRO COc1cc(C)c(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001236817538 944582515 /nfs/dbraw/zinc/58/25/15/944582515.db2.gz FCZBJRLWGSYQCZ-UHFFFAOYSA-N 1 0 263.337 1.666 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c(O)c1 ZINC001237047175 944647284 /nfs/dbraw/zinc/64/72/84/944647284.db2.gz UBJIELWTLMAUHI-CQSZACIVSA-N 1 0 292.379 1.844 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001237484316 944810095 /nfs/dbraw/zinc/81/00/95/944810095.db2.gz BHPBCZDJYOLVBQ-JGGQBBKZSA-N 1 0 277.364 1.672 20 10 CDCDRO COc1cc(CN2CC[NH+](C(C)C)CC2)c(O)c(OC)c1 ZINC001237674636 944916960 /nfs/dbraw/zinc/91/69/60/944916960.db2.gz KCEKGPDCMYMLFJ-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO c1cc(N2CCCC2)ccc1CNC[C@H]1C[NH2+]CCCO1 ZINC001261370410 946079872 /nfs/dbraw/zinc/07/98/72/946079872.db2.gz IONXHDGJSFMCNX-QGZVFWFLSA-N 1 0 289.423 1.755 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)C(C)C)c1O ZINC001262110181 946440483 /nfs/dbraw/zinc/44/04/83/946440483.db2.gz VGCAXKUNJFDMIZ-LBPRGKRZSA-N 1 0 253.342 1.816 20 10 CDCDRO C[C@H](NC(=O)NCC1([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC001262579826 946731235 /nfs/dbraw/zinc/73/12/35/946731235.db2.gz AUJKKHDYMDKLEY-NSHDSACASA-N 1 0 276.384 1.604 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c1O ZINC001278355761 946941150 /nfs/dbraw/zinc/94/11/50/946941150.db2.gz XSIARPSZDZNHOC-AGGWBTHJSA-N 1 0 288.391 1.952 20 10 CDCDRO COc1ccc(N2CC[NH+]([C@@H]3CCCOC3)CC2)cc1 ZINC001254375472 947395584 /nfs/dbraw/zinc/39/55/84/947395584.db2.gz PCUZDWHOOXNAHO-OAHLLOKOSA-N 1 0 276.380 1.996 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CC[NH2+]1 ZINC001246213022 948030702 /nfs/dbraw/zinc/03/07/02/948030702.db2.gz PVWDMLDCQKDSQC-KOLCDFICSA-N 1 0 266.341 1.076 20 10 CDCDRO C[C@@H]1CC[C@H](NCCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246248861 948055401 /nfs/dbraw/zinc/05/54/01/948055401.db2.gz WCLUWSWQQDKAKE-PWSUYJOCSA-N 1 0 250.342 1.370 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001256018508 948160418 /nfs/dbraw/zinc/16/04/18/948160418.db2.gz OFHAYBIBWQVAEK-NSHDSACASA-N 1 0 280.324 1.418 20 10 CDCDRO COC(=O)CC[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001258354498 948775696 /nfs/dbraw/zinc/77/56/96/948775696.db2.gz AJRZDLZHQBWUQA-VIFPVBQESA-N 1 0 253.298 1.529 20 10 CDCDRO CC[N@H+](Cc1ccc(CC(=O)OC)cc1O)C1CN(C)C1 ZINC001249215310 949459726 /nfs/dbraw/zinc/45/97/26/949459726.db2.gz ZZIRHDIIBNPWRZ-UHFFFAOYSA-N 1 0 292.379 1.244 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)cc1O ZINC001251243415 950673368 /nfs/dbraw/zinc/67/33/68/950673368.db2.gz QEZAOJADOQSKAR-CYBMUJFWSA-N 1 0 289.331 1.627 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CNCc1ccc2c(c1)CCO2 ZINC001253205255 951802780 /nfs/dbraw/zinc/80/27/80/951802780.db2.gz BAVSPPMCCYCMOD-HNNXBMFYSA-N 1 0 278.396 1.414 20 10 CDCDRO COc1ccc(CNC(=O)C[NH2+]C(C)(C)C)c(O)c1 ZINC001326864751 954593711 /nfs/dbraw/zinc/59/37/11/954593711.db2.gz WFCOHZIQHQZPOI-UHFFFAOYSA-N 1 0 266.341 1.405 20 10 CDCDRO [NH3+]CCN(CCO)Cc1ccc(N2CCCC2)cc1 ZINC001327414969 954871195 /nfs/dbraw/zinc/87/11/95/954871195.db2.gz GRVXSPFCVYXLGH-UHFFFAOYSA-N 1 0 263.385 1.040 20 10 CDCDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001308580313 956551199 /nfs/dbraw/zinc/55/11/99/956551199.db2.gz QRMKWUXUGUJCSC-UHFFFAOYSA-N 1 0 286.322 1.971 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c(O)c1 ZINC001308945762 956602196 /nfs/dbraw/zinc/60/21/96/956602196.db2.gz GFWOOQCEDVCEPP-BXUZGUMPSA-N 1 0 264.369 1.891 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001331456270 957074700 /nfs/dbraw/zinc/07/47/00/957074700.db2.gz PNOHPBYFLGPPJJ-QWRGUYRKSA-N 1 0 295.383 1.617 20 10 CDCDRO COc1ccc(C[NH2+]CC2(CO)CC2)c(O)c1OC ZINC001333694344 958522486 /nfs/dbraw/zinc/52/24/86/958522486.db2.gz XMJIAOFHAXEEHX-UHFFFAOYSA-N 1 0 267.325 1.272 20 10 CDCDRO Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c(O)c1O ZINC001320202846 959005705 /nfs/dbraw/zinc/00/57/05/959005705.db2.gz MRGFAQWKDAVULI-SNVBAGLBSA-N 1 0 278.352 1.478 20 10 CDCDRO [NH3+]C1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC001337016714 960853787 /nfs/dbraw/zinc/85/37/87/960853787.db2.gz VMRLPXMHYYZGLT-UHFFFAOYSA-N 1 0 286.379 1.353 20 10 CDCDRO C[N@H+](CCCF)Cc1cc2c(cc1O)OC[C@@H]2O ZINC001349957993 966542088 /nfs/dbraw/zinc/54/20/88/966542088.db2.gz GOJAUYCFWWKPBX-LBPRGKRZSA-N 1 0 255.289 1.609 20 10 CDCDRO CC[C@H]([NH2+]C1CC[NH+](CC(=O)[O-])CC1)c1ccccc1O ZINC001603585427 973750767 /nfs/dbraw/zinc/75/07/67/973750767.db2.gz DLVFUCXWNMZWEA-AWEZNQCLSA-N 1 0 292.379 1.982 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC001514645997 976319943 /nfs/dbraw/zinc/31/99/43/976319943.db2.gz PBFSXRBFIBEEJK-QWHCGFSZSA-N 1 0 259.353 1.197 20 10 CDCDRO CCC[NH2+]CCNC(=O)NCc1cccc(Cl)c1O ZINC001577558892 1171695842 /nfs/dbraw/zinc/69/58/42/1171695842.db2.gz ZNXPTVVREUZADU-UHFFFAOYSA-N 1 0 285.775 1.844 20 10 CDCDRO C[C@H]([NH2+]CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551039 356547951 /nfs/dbraw/zinc/54/79/51/356547951.db2.gz CWPIZKNZDVJVNS-NSHDSACASA-N 1 0 268.332 1.305 20 10 CDCDRO CC1(C)CN(CC[NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000180687179 357283293 /nfs/dbraw/zinc/28/32/93/357283293.db2.gz BMDJPTFYEIYNCU-UHFFFAOYSA-N 1 0 282.359 1.732 20 10 CDCDRO C[NH+](C)CC(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180892432 357292458 /nfs/dbraw/zinc/29/24/58/357292458.db2.gz VQCZKLRKJWQTKN-SOFGYWHQSA-N 1 0 292.379 1.815 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000269998596 364415733 /nfs/dbraw/zinc/41/57/33/364415733.db2.gz QWEITKLCVWTUEX-CQSZACIVSA-N 1 0 267.325 1.032 20 10 CDCDRO COC(=O)C[C@@H]1CN(Cc2cccc(OC)c2O)CCO1 ZINC000271157650 364949814 /nfs/dbraw/zinc/94/98/14/364949814.db2.gz BUNHZIDHNPJYGJ-GFCCVEGCSA-N 1 0 295.335 1.165 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1F ZINC000271192971 364969938 /nfs/dbraw/zinc/96/99/38/364969938.db2.gz QDRMIKDCABKFDW-CQSZACIVSA-N 1 0 296.386 1.865 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C[S@](C)=O)cc1C ZINC000168210746 364970043 /nfs/dbraw/zinc/97/00/43/364970043.db2.gz QFJPEUAHOYCPTI-APPDUMDISA-N 1 0 255.383 1.860 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC2CC2)c1 ZINC000182404935 365116995 /nfs/dbraw/zinc/11/69/95/365116995.db2.gz HSKRCYNRNFGRSK-SNVBAGLBSA-N 1 0 278.352 1.578 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000273345870 365487185 /nfs/dbraw/zinc/48/71/85/365487185.db2.gz ASRWQOFVKKZRRN-MEDUHNTESA-N 1 0 295.379 1.839 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000273445951 365495957 /nfs/dbraw/zinc/49/59/57/365495957.db2.gz ZTJGYZUKVCLJPM-DGCLKSJQSA-N 1 0 292.379 1.924 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000281702436 367675894 /nfs/dbraw/zinc/67/58/94/367675894.db2.gz STTUCNDNAGZJOV-NWDGAFQWSA-N 1 0 253.342 1.749 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccccc1O ZINC000272872624 296123830 /nfs/dbraw/zinc/12/38/30/296123830.db2.gz OYQFVJOKDYIGBA-OCCSQVGLSA-N 1 0 291.395 1.383 20 10 CDCDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1O ZINC000287728158 369290797 /nfs/dbraw/zinc/29/07/97/369290797.db2.gz YGFULZLAVXMMPP-LBPRGKRZSA-N 1 0 265.353 1.974 20 10 CDCDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1O ZINC000288194395 369415862 /nfs/dbraw/zinc/41/58/62/369415862.db2.gz CFOJFPXTXGIAFJ-RYUDHWBXSA-N 1 0 290.363 1.797 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CC[NH2+]C1 ZINC000571687981 377333039 /nfs/dbraw/zinc/33/30/39/377333039.db2.gz LJFOQEBFOJWKGR-MRXNPFEDSA-N 1 0 289.379 1.478 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCNC1=O ZINC000294047860 378621803 /nfs/dbraw/zinc/62/18/03/378621803.db2.gz JEEXVQIQPQDGNI-OAHLLOKOSA-N 1 0 275.396 1.771 20 10 CDCDRO CCOc1cccc(C[N@H+](CCO)CCOC)c1O ZINC000093005792 390898949 /nfs/dbraw/zinc/89/89/49/390898949.db2.gz OZWZPCGYVFFRIO-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1cccc(OC)c1O ZINC000133620137 390903775 /nfs/dbraw/zinc/90/37/75/390903775.db2.gz PKKMSEOFEXJWCG-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000112839699 391139730 /nfs/dbraw/zinc/13/97/30/391139730.db2.gz MHUDNJVWODOPHY-IAGOWNOFSA-N 1 0 289.423 1.705 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC(C)(C)O)cc1OC ZINC000182216719 391231866 /nfs/dbraw/zinc/23/18/66/391231866.db2.gz PSOBUYBDLSMTBM-UHFFFAOYSA-N 1 0 255.314 1.270 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)CSC)c1 ZINC000182430779 391235279 /nfs/dbraw/zinc/23/52/79/391235279.db2.gz WEMTZTRMZRWBPC-ZDUSSCGKSA-N 1 0 271.382 1.604 20 10 CDCDRO Cc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)c(O)c1O ZINC000179380484 391202694 /nfs/dbraw/zinc/20/26/94/391202694.db2.gz VPQWCCOXYKEPBK-UHFFFAOYSA-N 1 0 278.352 1.572 20 10 CDCDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000183249732 391257666 /nfs/dbraw/zinc/25/76/66/391257666.db2.gz DNEXAOYXCXECHT-LBPRGKRZSA-N 1 0 280.343 1.879 20 10 CDCDRO Cc1ccc(O)c(CN2CCOC[C@]23CCOC3)c1 ZINC000195008996 391373976 /nfs/dbraw/zinc/37/39/76/391373976.db2.gz AQWFRIXSZBEZGB-OAHLLOKOSA-N 1 0 263.337 1.692 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC2([S@](C)=O)CC2)cc1OC ZINC000281910375 391423924 /nfs/dbraw/zinc/42/39/24/391423924.db2.gz ZYPNUPPPHPMESZ-FQEVSTJZSA-N 1 0 299.392 1.410 20 10 CDCDRO COc1cc(O)c(C[NH+]2CCC(C(N)=O)CC2)cc1OC ZINC000159468990 261187025 /nfs/dbraw/zinc/18/70/25/261187025.db2.gz SXNQYPWMBYTFJV-UHFFFAOYSA-N 1 0 294.351 1.107 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccccc1O ZINC000183671774 261984474 /nfs/dbraw/zinc/98/44/74/261984474.db2.gz UWGWSHWAWWLUFN-OLZOCXBDSA-N 1 0 293.363 1.965 20 10 CDCDRO COc1cccc(C[NH+]2CCC(C)(CO)CC2)c1O ZINC000184075111 262007157 /nfs/dbraw/zinc/00/71/57/262007157.db2.gz JOGXTMQYQOJTOP-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185467220 262305328 /nfs/dbraw/zinc/30/53/28/262305328.db2.gz KUIUMFHEWBPUMN-XHDPSFHLSA-N 1 0 283.368 1.839 20 10 CDCDRO CCC[N@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000272439818 263004312 /nfs/dbraw/zinc/00/43/12/263004312.db2.gz ZWSCBDAMTCUTOK-UHFFFAOYSA-N 1 0 293.411 1.073 20 10 CDCDRO COCCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299249778 263236229 /nfs/dbraw/zinc/23/62/29/263236229.db2.gz BRSXQPZEDFBKQW-UHFFFAOYSA-N 1 0 293.411 1.337 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000187831287 263269646 /nfs/dbraw/zinc/26/96/46/263269646.db2.gz PVGKBRIJOXPROF-WYRIXSBYSA-N 1 0 285.409 1.990 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1OC ZINC000377192948 268054822 /nfs/dbraw/zinc/05/48/22/268054822.db2.gz MUNFHCPWVBFJBS-SNVBAGLBSA-N 1 0 294.351 1.107 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000280427326 276883422 /nfs/dbraw/zinc/88/34/22/276883422.db2.gz ZXKLBPQYOIJJHP-CABCVRRESA-N 1 0 278.396 1.487 20 10 CDCDRO CNC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232895 290399372 /nfs/dbraw/zinc/39/93/72/290399372.db2.gz NJFWSFXJWNQDBF-AWEZNQCLSA-N 1 0 292.379 1.509 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000179585840 329210035 /nfs/dbraw/zinc/21/00/35/329210035.db2.gz IAOCGWJPJLYFRL-LSDHHAIUSA-N 1 0 263.337 1.772 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]21 ZINC000228932960 333298990 /nfs/dbraw/zinc/29/89/90/333298990.db2.gz IUVGXEUDAGGSPL-WCQYABFASA-N 1 0 290.363 1.654 20 10 CDCDRO Cc1ccc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c(O)c1 ZINC001140953511 1159547152 /nfs/dbraw/zinc/54/71/52/1159547152.db2.gz AVFKRMVQZTWAJZ-OKILXGFUSA-N 1 0 290.407 1.994 20 10 CDCDRO Cc1cc(CN2C[C@H]3CC[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235984878 1161200481 /nfs/dbraw/zinc/20/04/81/1161200481.db2.gz BMHXKBZNTMIRNX-GDBMZVCRSA-N 1 0 259.397 1.984 20 10 CDCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1O ZINC000289602212 519806677 /nfs/dbraw/zinc/80/66/77/519806677.db2.gz BRUSJJIBZSMQEP-OCCSQVGLSA-N 1 0 262.353 1.643 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)COC)cc1 ZINC000281000316 520288108 /nfs/dbraw/zinc/28/81/08/520288108.db2.gz NODALVIACUYEJO-TZMCWYRMSA-N 1 0 266.385 1.801 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC000157179820 520351598 /nfs/dbraw/zinc/35/15/98/520351598.db2.gz DVUPYOTVVBXMPM-GFCCVEGCSA-N 1 0 278.352 1.488 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2COC[C@@H]2OC)c1O ZINC000289814512 521375762 /nfs/dbraw/zinc/37/57/62/521375762.db2.gz NGAUFQHCHGQILA-AAEUAGOBSA-N 1 0 267.325 1.294 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000277663558 521652970 /nfs/dbraw/zinc/65/29/70/521652970.db2.gz HCHLTZYLWBTKBM-UHFFFAOYSA-N 1 0 296.386 1.911 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236732903 521689461 /nfs/dbraw/zinc/68/94/61/521689461.db2.gz GCVQETPEQQUGDP-AWEZNQCLSA-N 1 0 278.352 1.119 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000363750650 521689488 /nfs/dbraw/zinc/68/94/88/521689488.db2.gz NUTACOVRFNVAKP-HNNXBMFYSA-N 1 0 280.343 1.832 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1cccc(OC)c1O)OC ZINC000227706685 522299213 /nfs/dbraw/zinc/29/92/13/522299213.db2.gz PSUJEJKKDPIXHM-LLVKDONJSA-N 1 0 255.314 1.152 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCCO1 ZINC000278784940 522747040 /nfs/dbraw/zinc/74/70/40/522747040.db2.gz ZQBGMNAXIKVBSP-WCQYABFASA-N 1 0 295.335 1.405 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000071264712 522805479 /nfs/dbraw/zinc/80/54/79/522805479.db2.gz KRWZMSONFIPEKQ-NXEZZACHSA-N 1 0 255.314 1.059 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)CC(C)C)c1 ZINC000040775110 524755219 /nfs/dbraw/zinc/75/52/19/524755219.db2.gz QFUUEVHBSNTJBV-LBPRGKRZSA-N 1 0 253.342 1.897 20 10 CDCDRO CS(=O)(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083552270 525126271 /nfs/dbraw/zinc/12/62/71/525126271.db2.gz FYHVPMILEUCIDO-UHFFFAOYSA-N 1 0 263.746 1.180 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800937 525365731 /nfs/dbraw/zinc/36/57/31/525365731.db2.gz ROCNVGCTTHTGLE-KBPBESRZSA-N 1 0 277.412 1.597 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CO)CC(C)C)c1O ZINC000040773813 526030881 /nfs/dbraw/zinc/03/08/81/526030881.db2.gz KZYMSSNALYIBIJ-GFCCVEGCSA-N 1 0 253.342 1.897 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CO)CC(C)C)c1O ZINC000040773811 526035768 /nfs/dbraw/zinc/03/57/68/526035768.db2.gz KZYMSSNALYIBIJ-LBPRGKRZSA-N 1 0 253.342 1.897 20 10 CDCDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000237685915 526245426 /nfs/dbraw/zinc/24/54/26/526245426.db2.gz RJIUYYFWWHMDCS-UHFFFAOYSA-N 1 0 298.390 1.925 20 10 CDCDRO Oc1c(F)cccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000252776863 526329789 /nfs/dbraw/zinc/32/97/89/526329789.db2.gz PPQDIKRWBZERNN-LBPRGKRZSA-N 1 0 250.317 1.811 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262569854 527479369 /nfs/dbraw/zinc/47/93/69/527479369.db2.gz BUHLOYVYBGMUCU-OCCSQVGLSA-N 1 0 261.369 1.445 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000753586848 574903719 /nfs/dbraw/zinc/90/37/19/574903719.db2.gz KOJBLQHVBWRJCS-UHFFFAOYSA-N 1 0 292.335 1.475 20 10 CDCDRO C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCNC1=O ZINC000770383443 575443510 /nfs/dbraw/zinc/44/35/10/575443510.db2.gz VIZRKPZPEPBMRA-SNVBAGLBSA-N 1 0 299.168 1.475 20 10 CDCDRO COC(=O)C[N@H+](Cc1ccccc1O)C1CCOCC1 ZINC000770505278 575457600 /nfs/dbraw/zinc/45/76/00/575457600.db2.gz NHDIWGQJQOWVBZ-UHFFFAOYSA-N 1 0 279.336 1.546 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000773740984 575837168 /nfs/dbraw/zinc/83/71/68/575837168.db2.gz RJELDMGOVZUGSP-AAEUAGOBSA-N 1 0 292.379 1.629 20 10 CDCDRO CN1CC[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1=O ZINC000738271912 576055574 /nfs/dbraw/zinc/05/55/74/576055574.db2.gz GWEWDYSNNPMEBQ-CQSZACIVSA-N 1 0 285.347 1.603 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1OC ZINC000765794532 576056121 /nfs/dbraw/zinc/05/61/21/576056121.db2.gz DBYUWEQVNRPQIZ-ZYHUDNBSSA-N 1 0 278.352 1.405 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765797074 576056807 /nfs/dbraw/zinc/05/68/07/576056807.db2.gz PJFNSSOZOYUJNX-KGLIPLIRSA-N 1 0 274.364 1.626 20 10 CDCDRO C[C@@H]1COCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462447 576286693 /nfs/dbraw/zinc/28/66/93/576286693.db2.gz LMTKLDPXELFCSG-QMTHXVAHSA-N 1 0 279.336 1.429 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000769447827 576354841 /nfs/dbraw/zinc/35/48/41/576354841.db2.gz XYDCAIIWOJCPMX-MRXNPFEDSA-N 1 0 276.380 1.744 20 10 CDCDRO CCc1nncn1CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000756618566 576997378 /nfs/dbraw/zinc/99/73/78/576997378.db2.gz CQBAVLLHCJPMKO-NSHDSACASA-N 1 0 290.367 1.906 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[NH+]1CCC1 ZINC000752670711 577118193 /nfs/dbraw/zinc/11/81/93/577118193.db2.gz PKFDVLOMQPPGPU-UHFFFAOYSA-N 1 0 290.411 1.566 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000891456866 617420491 /nfs/dbraw/zinc/42/04/91/617420491.db2.gz UEMHMGFYIQQQJP-HAQNSBGRSA-N 1 0 294.374 1.428 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)CO)c(O)c1OC ZINC000893207708 617463200 /nfs/dbraw/zinc/46/32/00/617463200.db2.gz BHJXUTUAZDJHFW-UHFFFAOYSA-N 1 0 269.341 1.518 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043710178 617577262 /nfs/dbraw/zinc/57/72/62/617577262.db2.gz IMPUMWMOCQBLIA-OAHLLOKOSA-N 1 0 291.395 1.090 20 10 CDCDRO COc1ccc(C[N@H+](C)C[C@@H](C)O)c(O)c1OC ZINC000893545830 618092546 /nfs/dbraw/zinc/09/25/46/618092546.db2.gz NCXWGOKACGJWHE-SECBINFHSA-N 1 0 255.314 1.222 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(C)ccc1O ZINC000922588807 618270821 /nfs/dbraw/zinc/27/08/21/618270821.db2.gz BSPPIJLARFDIMW-HNNXBMFYSA-N 1 0 278.396 1.901 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1 ZINC000818233397 618503260 /nfs/dbraw/zinc/50/32/60/618503260.db2.gz LMUIBXPPLZCXPF-LBPRGKRZSA-N 1 0 292.335 1.028 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2nccs2)cc1 ZINC000841042390 618678022 /nfs/dbraw/zinc/67/80/22/618678022.db2.gz JFEDWGUHTFBHRK-CYBMUJFWSA-N 1 0 276.409 1.999 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2COCCO2)c1O ZINC000894197638 618684914 /nfs/dbraw/zinc/68/49/14/618684914.db2.gz ZZVZOPWZEYSJSE-LBPRGKRZSA-N 1 0 267.325 1.214 20 10 CDCDRO Cc1cccc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843056969 618691301 /nfs/dbraw/zinc/69/13/01/618691301.db2.gz DKKYUYPTCPOFSA-AAEUAGOBSA-N 1 0 250.342 1.249 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000814172775 618701245 /nfs/dbraw/zinc/70/12/45/618701245.db2.gz CJDRNUDYRNSQEJ-IAZYJMLFSA-N 1 0 265.284 1.382 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](O)C2CC2)c(O)c1OC ZINC000894458467 618895942 /nfs/dbraw/zinc/89/59/42/618895942.db2.gz SAOFBSHETWNSAQ-LLVKDONJSA-N 1 0 267.325 1.270 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1O ZINC000894535228 618946559 /nfs/dbraw/zinc/94/65/59/618946559.db2.gz XIDUTNCLMSYFAP-WCQYABFASA-N 1 0 265.353 1.912 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@H](C)CCO)c(O)c1OC ZINC000894667545 619009263 /nfs/dbraw/zinc/00/92/63/619009263.db2.gz HAFUUDUVXDVNLN-NSHDSACASA-N 1 0 283.368 1.908 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1O ZINC000894887563 619123505 /nfs/dbraw/zinc/12/35/05/619123505.db2.gz FQWBFQQFBDPFJN-WFASDCNBSA-N 1 0 295.379 1.850 20 10 CDCDRO OC[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895151906 619363627 /nfs/dbraw/zinc/36/36/27/619363627.db2.gz MYKDKZNAELBUMH-GFCCVEGCSA-N 1 0 279.336 1.858 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1 ZINC000895316382 619545932 /nfs/dbraw/zinc/54/59/32/619545932.db2.gz IFFRDAJPIBPUEU-CYBMUJFWSA-N 1 0 261.369 1.367 20 10 CDCDRO COc1ccc(C[N@H+](C)C2(CO)CCC2)c(O)c1OC ZINC000895475658 619685647 /nfs/dbraw/zinc/68/56/47/619685647.db2.gz JXKFMCCSLPPRMU-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(C[NH2+]CCOCCF)c(O)c1OC ZINC000895482771 619695442 /nfs/dbraw/zinc/69/54/42/619695442.db2.gz XIRZTCCGXPTNFN-UHFFFAOYSA-N 1 0 273.304 1.485 20 10 CDCDRO COC(=O)c1coc(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841033771 621037290 /nfs/dbraw/zinc/03/72/90/621037290.db2.gz APWBAIZUAXJJJN-UHFFFAOYSA-N 1 0 274.320 1.981 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000897681278 621070351 /nfs/dbraw/zinc/07/03/51/621070351.db2.gz ZXQWNNGKNCBOKK-DYVFJYSZSA-N 1 0 290.407 1.460 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448533 625999896 /nfs/dbraw/zinc/99/98/96/625999896.db2.gz PKJHGGXHQCYKNP-DOMZBBRYSA-N 1 0 292.427 1.209 20 10 CDCDRO CN(C[C@H]([NH3+])CC(F)F)c1ccc2c(c1)OCO2 ZINC000903902562 626139833 /nfs/dbraw/zinc/13/98/33/626139833.db2.gz JQBHDDIZCZSHHT-MRVPVSSYSA-N 1 0 258.268 1.834 20 10 CDCDRO c1cc2c(cc1CNC[C@@H]1C[NH2+]CCCO1)CCCO2 ZINC000904358093 626266140 /nfs/dbraw/zinc/26/61/40/626266140.db2.gz HUHYLEGOPGKXJS-HNNXBMFYSA-N 1 0 276.380 1.480 20 10 CDCDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000911783038 629500044 /nfs/dbraw/zinc/50/00/44/629500044.db2.gz OYVKMDNEEZLCQI-RISCZKNCSA-N 1 0 263.385 1.691 20 10 CDCDRO C[C@H](C[NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002871 742841225 /nfs/dbraw/zinc/84/12/25/742841225.db2.gz GFPVHGRORRFVOC-OCCSQVGLSA-N 1 0 292.379 1.495 20 10 CDCDRO CCc1cccc(CN2CCN(C)C(=O)[C@H]2C)c1O ZINC000848904268 742857757 /nfs/dbraw/zinc/85/77/57/742857757.db2.gz OSSOWJRPWXHMRI-LLVKDONJSA-N 1 0 262.353 1.617 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCS2)cc1 ZINC000832267330 742887067 /nfs/dbraw/zinc/88/70/67/742887067.db2.gz QORRPGMGBLQXPA-ZIAGYGMSSA-N 1 0 293.436 1.764 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000876720612 743155695 /nfs/dbraw/zinc/15/56/95/743155695.db2.gz HWDBFIGOKDMCBQ-ZDUSSCGKSA-N 1 0 265.353 1.674 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(C)cc2O)CCOC1 ZINC000877379628 743225808 /nfs/dbraw/zinc/22/58/08/743225808.db2.gz DRGNLWSRHJERCO-HNNXBMFYSA-N 1 0 279.336 1.512 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c(C)cccc1O ZINC000877562611 743337002 /nfs/dbraw/zinc/33/70/02/743337002.db2.gz XRDLRQCRZRYZRT-LLVKDONJSA-N 1 0 286.397 1.118 20 10 CDCDRO C[C@H](CNC(=O)C1=CC(=O)CS1)Cn1ccnc1 ZINC000828404218 743483911 /nfs/dbraw/zinc/48/39/11/743483911.db2.gz PUKDWMZYOCLAOR-SECBINFHSA-N 1 0 265.338 1.716 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2cnccn2)c1 ZINC000776066462 743577008 /nfs/dbraw/zinc/57/70/08/743577008.db2.gz SALLFTIRJPMFGP-NSHDSACASA-N 1 0 273.336 1.912 20 10 CDCDRO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827726157 744992310 /nfs/dbraw/zinc/99/23/10/744992310.db2.gz SLWJIRBLFBEJQH-STQMWFEESA-N 1 0 291.395 1.438 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCS(C)(=O)=O ZINC000877016121 745072892 /nfs/dbraw/zinc/07/28/92/745072892.db2.gz IDSNKTLHCIOTFD-UHFFFAOYSA-N 1 0 257.355 1.225 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000863545272 745206498 /nfs/dbraw/zinc/20/64/98/745206498.db2.gz NBLKOSULXSDCJB-JSGCOSHPSA-N 1 0 263.385 1.392 20 10 CDCDRO COc1cccc(C[NH2+]CCN(C)C(C)C)c1O ZINC000054110903 745246378 /nfs/dbraw/zinc/24/63/78/745246378.db2.gz QCIXFDGIMRGDRK-UHFFFAOYSA-N 1 0 252.358 1.831 20 10 CDCDRO CC(=O)N1CC[N@H+](Cc2ccc(C)cc2O)[C@@H](C)C1 ZINC000876748187 745251430 /nfs/dbraw/zinc/25/14/30/745251430.db2.gz XVZALAKAYOKJEY-LBPRGKRZSA-N 1 0 262.353 1.753 20 10 CDCDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(N)=O ZINC000182412428 745274466 /nfs/dbraw/zinc/27/44/66/745274466.db2.gz MHMHTFQSGZDDRP-LDYMZIIASA-N 1 0 252.314 1.315 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1 ZINC000785793121 745286668 /nfs/dbraw/zinc/28/66/68/745286668.db2.gz FMNUESOWJYJSER-OAHLLOKOSA-N 1 0 264.369 1.336 20 10 CDCDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc3c(c2)CCCO3)C1 ZINC000921997922 745333696 /nfs/dbraw/zinc/33/36/96/745333696.db2.gz AGFIIZKAVCMASU-MRXNPFEDSA-N 1 0 276.380 1.168 20 10 CDCDRO COc1c(O)c(CN2C[C@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843120117 745380185 /nfs/dbraw/zinc/38/01/85/745380185.db2.gz XXRHEOWOUKMDCQ-VHSXEESVSA-N 1 0 295.339 1.491 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000858586275 745497826 /nfs/dbraw/zinc/49/78/26/745497826.db2.gz BWNDYASCQSHKSA-WDEREUQCSA-N 1 0 266.341 1.760 20 10 CDCDRO COCCN1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876987028 745586404 /nfs/dbraw/zinc/58/64/04/745586404.db2.gz PWHKSCIREQLRHE-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c(O)c1 ZINC000877352518 745615641 /nfs/dbraw/zinc/61/56/41/745615641.db2.gz HBBIUSOWJALIMA-AWEZNQCLSA-N 1 0 289.379 1.737 20 10 CDCDRO Cc1ccc(C[N@H+](C)C[C@@H]2COCCO2)c(O)c1 ZINC000877628524 745646361 /nfs/dbraw/zinc/64/63/61/745646361.db2.gz JEMCBDBMFWNOLG-CYBMUJFWSA-N 1 0 251.326 1.548 20 10 CDCDRO CC[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000877692773 745813452 /nfs/dbraw/zinc/81/34/52/745813452.db2.gz SODCGKAJRXDYBN-OAHLLOKOSA-N 1 0 279.336 1.858 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CC)C(=O)NC)c(O)c1 ZINC000825316544 745820528 /nfs/dbraw/zinc/82/05/28/745820528.db2.gz PPQHZWVSZZJSPF-GFCCVEGCSA-N 1 0 266.341 1.405 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000122934929 745829972 /nfs/dbraw/zinc/82/99/72/745829972.db2.gz PHXFBLOSFKOZDI-OAHLLOKOSA-N 1 0 263.337 1.517 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840940841 745841379 /nfs/dbraw/zinc/84/13/79/745841379.db2.gz HUPRVEARDQORTJ-CYBMUJFWSA-N 1 0 252.358 1.158 20 10 CDCDRO C[C@H](c1nnnn1C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350116 745876527 /nfs/dbraw/zinc/87/65/27/745876527.db2.gz JGZRMVJOYRJZAE-SNVBAGLBSA-N 1 0 272.356 1.183 20 10 CDCDRO CCCOc1ccc(C[NH2+]CCS(C)(=O)=O)cc1C ZINC000873029165 745887528 /nfs/dbraw/zinc/88/75/28/745887528.db2.gz WXTXBFVASKQRSZ-UHFFFAOYSA-N 1 0 285.409 1.918 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c(O)c1 ZINC000877595242 745994536 /nfs/dbraw/zinc/99/45/36/745994536.db2.gz WAIGHKFZEBAEDY-CYBMUJFWSA-N 1 0 265.353 1.672 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COC(C)C)c1 ZINC000182362548 746067551 /nfs/dbraw/zinc/06/75/51/746067551.db2.gz OQDIAKRQDPBGIU-NEPJUHHUSA-N 1 0 283.368 1.837 20 10 CDCDRO COc1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)c(O)c1 ZINC000832178414 746099397 /nfs/dbraw/zinc/09/93/97/746099397.db2.gz QZJZLXKRYFLBDL-LBPRGKRZSA-N 1 0 264.325 1.144 20 10 CDCDRO CCN(CC)c1ccc(CN(CC[NH3+])CCO)cc1F ZINC000841059342 746125909 /nfs/dbraw/zinc/12/59/09/746125909.db2.gz QBBGSPYMFTXNQL-UHFFFAOYSA-N 1 0 283.391 1.425 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2c(C)cccc2O)C1 ZINC000877607387 746258611 /nfs/dbraw/zinc/25/86/11/746258611.db2.gz ACQHYCFALZZBDF-RYUDHWBXSA-N 1 0 279.336 1.056 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)[C@@H]1C ZINC000787421160 746263103 /nfs/dbraw/zinc/26/31/03/746263103.db2.gz OBLBCNGZOHIZPP-MFKMUULPSA-N 1 0 279.336 1.784 20 10 CDCDRO CN1CC[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000712585620 746286663 /nfs/dbraw/zinc/28/66/63/746286663.db2.gz HDIUPBUNJXQINM-NSHDSACASA-N 1 0 285.185 1.948 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CN)C2CC2)cc1OC ZINC000841028237 746294541 /nfs/dbraw/zinc/29/45/41/746294541.db2.gz MZOCMCIPYSPRCU-LLVKDONJSA-N 1 0 266.341 1.236 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862239037 746302939 /nfs/dbraw/zinc/30/29/39/746302939.db2.gz SKLQNQJGTCLWOH-UHFFFAOYSA-N 1 0 285.338 1.599 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841759422 746346577 /nfs/dbraw/zinc/34/65/77/746346577.db2.gz NUTDCJHHKHBMNX-UHFFFAOYSA-N 1 0 290.411 1.478 20 10 CDCDRO Fc1cc(CNC[C@H]2CCC[NH2+]2)ccc1N1CCOCC1 ZINC000841037058 746358345 /nfs/dbraw/zinc/35/83/45/746358345.db2.gz YGCCOOHBJCISJW-CQSZACIVSA-N 1 0 293.386 1.504 20 10 CDCDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876561416 746367191 /nfs/dbraw/zinc/36/71/91/746367191.db2.gz JWQCMIYUKFHLIJ-MRXNPFEDSA-N 1 0 290.407 1.604 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cc2c(cc1O)CCCC2 ZINC000817982350 746380261 /nfs/dbraw/zinc/38/02/61/746380261.db2.gz CLUCYAHHTOEGLO-DOMZBBRYSA-N 1 0 290.407 1.910 20 10 CDCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000134221256 746395403 /nfs/dbraw/zinc/39/54/03/746395403.db2.gz JVXMGGWPDMGOMI-GXSJLCMTSA-N 1 0 288.141 1.004 20 10 CDCDRO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647338 746523965 /nfs/dbraw/zinc/52/39/65/746523965.db2.gz BCNDBAFOJISWGJ-GHMZBOCLSA-N 1 0 250.342 1.958 20 10 CDCDRO CC(C)[NH2+]CCC(=O)N[C@H](C)c1ccccc1O ZINC000870988533 746662617 /nfs/dbraw/zinc/66/26/17/746662617.db2.gz RYHSIOYHMWGCIL-LLVKDONJSA-N 1 0 250.342 1.958 20 10 CDCDRO CCOc1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC000841027554 746671797 /nfs/dbraw/zinc/67/17/97/746671797.db2.gz RTNMLGCNVFCBAJ-SWLSCSKDSA-N 1 0 276.380 1.975 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H]([NH3+])C[C@H]2C)c1O ZINC000866684439 746750935 /nfs/dbraw/zinc/75/09/35/746750935.db2.gz YVFBBWXHCXSFBF-PRHODGIISA-N 1 0 266.316 1.655 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)cc2)CC1 ZINC000877658540 746812278 /nfs/dbraw/zinc/81/22/78/746812278.db2.gz ZYKYFFZJQRXEHG-KDYLLFBJSA-N 1 0 290.407 1.508 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@H]1c3ccccc3C[C@@H]1O)OCO2 ZINC000119193606 746821637 /nfs/dbraw/zinc/82/16/37/746821637.db2.gz QJEJFGNJGAKDFT-YOEHRIQHSA-N 1 0 299.326 1.869 20 10 CDCDRO CCCC[N@H+](CCS(N)(=O)=O)Cc1ccccc1O ZINC000801595123 746836915 /nfs/dbraw/zinc/83/69/15/746836915.db2.gz IRQMIMUNCHLEMC-UHFFFAOYSA-N 1 0 286.397 1.283 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1Cl ZINC000825731146 746841962 /nfs/dbraw/zinc/84/19/62/746841962.db2.gz DANCZWAWPZHDBQ-IINYFYTJSA-N 1 0 285.771 1.984 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000834903588 746849400 /nfs/dbraw/zinc/84/94/00/746849400.db2.gz IZEMHGFDPKCZDD-MRCXROJRSA-N 1 0 269.316 1.986 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1c(C)cccc1O ZINC000876996435 746850836 /nfs/dbraw/zinc/85/08/36/746850836.db2.gz VDMZRZNGHOCGLE-UHFFFAOYSA-N 1 0 252.358 1.368 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c1 ZINC000817984346 746877015 /nfs/dbraw/zinc/87/70/15/746877015.db2.gz QQSRVZUQPNIWCQ-LLVKDONJSA-N 1 0 292.379 1.972 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)COCC1CC1 ZINC000877000183 746884615 /nfs/dbraw/zinc/88/46/15/746884615.db2.gz LGYGKGVSKUWILO-ZDUSSCGKSA-N 1 0 265.353 1.578 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000128095705 746885045 /nfs/dbraw/zinc/88/50/45/746885045.db2.gz YTJODJUYRQFZQA-VXGBXAGGSA-N 1 0 251.326 1.650 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1[O-] ZINC000817981627 747031324 /nfs/dbraw/zinc/03/13/24/747031324.db2.gz MDGLMWSXNSWLSE-GXSJLCMTSA-N 1 0 286.322 1.700 20 10 CDCDRO C[C@H](CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858140712 747055092 /nfs/dbraw/zinc/05/50/92/747055092.db2.gz DGOADAXCQDOGDB-SECBINFHSA-N 1 0 258.312 1.891 20 10 CDCDRO C[C@H](O)[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000929636681 747171673 /nfs/dbraw/zinc/17/16/73/747171673.db2.gz YTUVAESGIGHMRD-BLLLJJGKSA-N 1 0 279.380 1.879 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC[C@H]2O)cc1Cl ZINC000862532579 747197119 /nfs/dbraw/zinc/19/71/19/747197119.db2.gz ILRFJQPTABBKEF-DGCLKSJQSA-N 1 0 271.744 1.593 20 10 CDCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825429840 747275972 /nfs/dbraw/zinc/27/59/72/747275972.db2.gz PMNQJBRQWSSVJU-CYBMUJFWSA-N 1 0 273.760 1.841 20 10 CDCDRO Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)C)c(O)c1 ZINC000877023545 747284487 /nfs/dbraw/zinc/28/44/87/747284487.db2.gz VRVLZUYLEGCLFQ-UHFFFAOYSA-N 1 0 264.369 1.953 20 10 CDCDRO Nc1ccc(CC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1 ZINC000841849208 747316963 /nfs/dbraw/zinc/31/69/63/747316963.db2.gz BPJJAXDNJLQJFO-AWEZNQCLSA-N 1 0 296.374 1.661 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840952246 747338606 /nfs/dbraw/zinc/33/86/06/747338606.db2.gz XRXXKNYGGYZCKY-HZPDHXFCSA-N 1 0 278.396 1.955 20 10 CDCDRO CN(C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccc(N)cc1 ZINC000877075255 747428909 /nfs/dbraw/zinc/42/89/09/747428909.db2.gz BJDANLVZFBZONE-HNNXBMFYSA-N 1 0 299.378 1.666 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000877099264 747472811 /nfs/dbraw/zinc/47/28/11/747472811.db2.gz DUXVZDYOIDJVLG-SWLSCSKDSA-N 1 0 264.369 1.509 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C(C)(C)CO)cc1F ZINC000858133810 747514953 /nfs/dbraw/zinc/51/49/53/747514953.db2.gz ZAACLRVFUKZNPH-UHFFFAOYSA-N 1 0 258.312 1.891 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000877424924 747592749 /nfs/dbraw/zinc/59/27/49/747592749.db2.gz TVTJFJRLAWKBMS-GFCCVEGCSA-N 1 0 258.325 1.739 20 10 CDCDRO CSC[C@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923286150 747612520 /nfs/dbraw/zinc/61/25/20/747612520.db2.gz IFIQJHPPLNSBCB-CYBMUJFWSA-N 1 0 266.410 1.622 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000083460764 747617712 /nfs/dbraw/zinc/61/77/12/747617712.db2.gz NQBUXEAUJSYXEJ-CQSZACIVSA-N 1 0 263.385 1.886 20 10 CDCDRO C[NH2+]CCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831931 747811746 /nfs/dbraw/zinc/81/17/46/747811746.db2.gz HOMXDGMTCBKSTR-UHFFFAOYSA-N 1 0 288.395 1.424 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)N(C)C)cc1Cl ZINC000825685940 747832790 /nfs/dbraw/zinc/83/27/90/747832790.db2.gz QUXHIGOHKKJLEI-VIFPVBQESA-N 1 0 270.760 1.920 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000228356389 747866877 /nfs/dbraw/zinc/86/68/77/747866877.db2.gz WQKTXPQOJYDDIM-SNVBAGLBSA-N 1 0 268.744 1.756 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C[NH3+])OC ZINC000232115924 748025544 /nfs/dbraw/zinc/02/55/44/748025544.db2.gz WIOXVDNGKKXWGK-HNNXBMFYSA-N 1 0 293.411 1.465 20 10 CDCDRO OCC1(O)CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000827147498 748026374 /nfs/dbraw/zinc/02/63/74/748026374.db2.gz SFRIPWCOJAEBKR-UHFFFAOYSA-N 1 0 287.359 1.865 20 10 CDCDRO C[NH+](C)CCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000792042858 748091200 /nfs/dbraw/zinc/09/12/00/748091200.db2.gz ZWJSIBAQQSMHLW-ALCCZGGFSA-N 1 0 265.309 1.606 20 10 CDCDRO C[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CC[NH2+]C1 ZINC000827005570 748240095 /nfs/dbraw/zinc/24/00/95/748240095.db2.gz VTIBTWMCECBJTJ-KRWDZBQOSA-N 1 0 287.407 1.903 20 10 CDCDRO CC(C)[N@@H+]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000844205580 748257975 /nfs/dbraw/zinc/25/79/75/748257975.db2.gz YLWOIATYXTVCIM-UHFFFAOYSA-N 1 0 275.396 1.754 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1 ZINC000271888951 748311821 /nfs/dbraw/zinc/31/18/21/748311821.db2.gz WRTNPWFQPBKDAB-UHFFFAOYSA-N 1 0 290.363 1.503 20 10 CDCDRO COc1cccc(O)c1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000825311654 748330656 /nfs/dbraw/zinc/33/06/56/748330656.db2.gz MBDUISXXMRTICQ-WDEREUQCSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c1O ZINC000846143214 748464918 /nfs/dbraw/zinc/46/49/18/748464918.db2.gz CTPXOLGUWCCVMB-GHMZBOCLSA-N 1 0 250.342 1.756 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1F ZINC000840974693 748524912 /nfs/dbraw/zinc/52/49/12/748524912.db2.gz FGFGZZGJFWSMFH-SWLSCSKDSA-N 1 0 282.359 1.067 20 10 CDCDRO Cc1cc(C)c(O)c(CN2CCN(S(C)(=O)=O)CC2)c1 ZINC000194566829 748818823 /nfs/dbraw/zinc/81/88/23/748818823.db2.gz YNTBVEPTWBABKA-UHFFFAOYSA-N 1 0 298.408 1.086 20 10 CDCDRO COc1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1C ZINC000841087242 748887189 /nfs/dbraw/zinc/88/71/89/748887189.db2.gz SCDZGERXHRBCBL-AWEZNQCLSA-N 1 0 264.369 1.472 20 10 CDCDRO CON1CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC000835076816 748907583 /nfs/dbraw/zinc/90/75/83/748907583.db2.gz VYZWQYAQQIGXRP-UHFFFAOYSA-N 1 0 250.342 1.850 20 10 CDCDRO c1cn2c(n1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000778186977 749070885 /nfs/dbraw/zinc/07/08/85/749070885.db2.gz BKHWFBIGWJZYSW-AWEZNQCLSA-N 1 0 269.348 1.923 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)S(C)(=O)=O ZINC000921931701 749132873 /nfs/dbraw/zinc/13/28/73/749132873.db2.gz AYIYSVRZYIBZNY-NSHDSACASA-N 1 0 283.393 1.534 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000842669790 749150991 /nfs/dbraw/zinc/15/09/91/749150991.db2.gz CVOUONCAZFAWCH-JSGCOSHPSA-N 1 0 294.370 1.929 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000797605720 749308989 /nfs/dbraw/zinc/30/89/89/749308989.db2.gz VWCFGJKKWZOKFP-HNNXBMFYSA-N 1 0 278.352 1.359 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000831857410 749350047 /nfs/dbraw/zinc/35/00/47/749350047.db2.gz KSWFVSGFWWQKMZ-CQSZACIVSA-N 1 0 261.369 1.592 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c1O ZINC001140747980 898172240 /nfs/dbraw/zinc/17/22/40/898172240.db2.gz 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912106988 /nfs/dbraw/zinc/10/69/88/912106988.db2.gz KMKQTCALNRBVIR-KGLIPLIRSA-N 1 0 281.375 1.719 20 10 CDCDRO Oc1c(CN2C[C@H]3C[NH2+]C[C@H]32)cccc1C(F)(F)F ZINC001236294589 914897100 /nfs/dbraw/zinc/89/71/00/914897100.db2.gz OWRSAPXWSUMTRR-MWLCHTKSSA-N 1 0 272.270 1.815 20 10 CDCDRO C[C@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689117 915927262 /nfs/dbraw/zinc/92/72/62/915927262.db2.gz FJNMPCKARZLRBC-BREXMAIKSA-N 1 0 264.325 1.177 20 10 CDCDRO Cc1cc(F)cc(CN2C[C@H](F)C[C@H]([NH3+])C2)c1O ZINC001206443880 916886074 /nfs/dbraw/zinc/88/60/74/916886074.db2.gz ABXALNSYOPNPIM-NEPJUHHUSA-N 1 0 256.296 1.711 20 10 CDCDRO Cc1nc(CC[N@@H+](C)Cc2c([O-])cccc2F)no1 ZINC001137833076 936417875 /nfs/dbraw/zinc/41/78/75/936417875.db2.gz RORQUFJELLKRKD-UHFFFAOYSA-N 1 0 265.288 1.897 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cccc(C(F)(F)F)c2O)C[C@H]1O ZINC001206480591 917662987 /nfs/dbraw/zinc/66/29/87/917662987.db2.gz DOJKKHOMQACHOQ-GXSJLCMTSA-N 1 0 290.285 1.162 20 10 CDCDRO Oc1ccccc1C[NH+]1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001203552194 919343342 /nfs/dbraw/zinc/34/33/42/919343342.db2.gz DMWYJOPBRIBHMM-GJZGRUSLSA-N 1 0 296.374 1.750 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[C@H]3CO4)cc2)CC1 ZINC001139409530 936618245 /nfs/dbraw/zinc/61/82/45/936618245.db2.gz MBMRMBTXEYOLHC-IRXDYDNUSA-N 1 0 287.407 1.412 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055432 936674576 /nfs/dbraw/zinc/67/45/76/936674576.db2.gz XZTXXRDVKNYNLZ-LLVKDONJSA-N 1 0 280.343 1.832 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1cc(F)ccc1O ZINC001140059152 936674869 /nfs/dbraw/zinc/67/48/69/936674869.db2.gz VZANVLJFWWHWQQ-UHFFFAOYSA-N 1 0 254.305 1.441 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1 ZINC001140619564 936731508 /nfs/dbraw/zinc/73/15/08/936731508.db2.gz HVQNPHHBXGVBMO-CABCVRRESA-N 1 0 265.353 1.266 20 10 CDCDRO Cc1ncc(CO)c(C[N@H+](C)Cc2ccccc2O)c1O ZINC001140870163 936768485 /nfs/dbraw/zinc/76/84/85/936768485.db2.gz HZUWFJPZBXETFT-UHFFFAOYSA-N 1 0 288.347 1.926 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CCC(=O)N(C)C)c(OC)c1 ZINC001141029025 936795098 /nfs/dbraw/zinc/79/50/98/936795098.db2.gz HXKRJTUAOPYWFU-UHFFFAOYSA-N 1 0 296.367 1.320 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC001141031302 936795222 /nfs/dbraw/zinc/79/52/22/936795222.db2.gz CERCRQLIZAVEPV-NSHDSACASA-N 1 0 280.368 1.545 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C2CCN(C)CC2)c(OC)c1 ZINC001141032085 936795774 /nfs/dbraw/zinc/79/57/74/936795774.db2.gz RJKFONLIHHDOBK-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC)c1 ZINC001141026176 936794011 /nfs/dbraw/zinc/79/40/11/936794011.db2.gz HCAWMYNUWZDZKA-NWDGAFQWSA-N 1 0 294.395 1.934 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc(O)ccc1O ZINC001141162659 936823966 /nfs/dbraw/zinc/82/39/66/936823966.db2.gz YXYIRWUOLLPAJH-UHFFFAOYSA-N 1 0 253.298 1.483 20 10 CDCDRO CC(C)(C(=O)NCc1ccc(O)cc1O)[NH+]1CCCCC1 ZINC000828912052 926206380 /nfs/dbraw/zinc/20/63/80/926206380.db2.gz ITBKGWQBSHDLQB-UHFFFAOYSA-N 1 0 292.379 1.979 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@](C)(O)CCOC)c1O ZINC000691449556 937216919 /nfs/dbraw/zinc/21/69/19/937216919.db2.gz UYNVDUVXPFESFA-OAHLLOKOSA-N 1 0 267.369 1.832 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccccc1O ZINC000697619641 937284759 /nfs/dbraw/zinc/28/47/59/937284759.db2.gz FJFMZESZXUCJSY-NXEZZACHSA-N 1 0 257.355 1.476 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H](CO)OC(C)(C)C2)cc1F ZINC000817412863 930529565 /nfs/dbraw/zinc/52/95/65/930529565.db2.gz PTBNFUSBLWOFPB-ZDUSSCGKSA-N 1 0 296.386 1.863 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@]1(C)O ZINC001144503818 931863575 /nfs/dbraw/zinc/86/35/75/931863575.db2.gz DTIJJIGUSNOAQH-YMTOWFKASA-N 1 0 267.325 1.396 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]12 ZINC001144520412 931871814 /nfs/dbraw/zinc/87/18/14/931871814.db2.gz PZMNEZFGMPWMOB-ONGXEEELSA-N 1 0 277.320 1.604 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514581 931877524 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ZINC001206712248 939600882 /nfs/dbraw/zinc/60/08/82/939600882.db2.gz YPUVZXUWXSPMDQ-UHFFFAOYSA-N 1 0 285.185 1.935 20 10 CDCDRO O=C1NCCCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203556442 939693568 /nfs/dbraw/zinc/69/35/68/939693568.db2.gz PPKQNBXOMIJHBA-UHFFFAOYSA-N 1 0 274.364 1.884 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(C)(C(N)=O)CC2)c1O ZINC001203609037 939696315 /nfs/dbraw/zinc/69/63/15/939696315.db2.gz GTVFBKBHOHNLSV-UHFFFAOYSA-N 1 0 292.379 1.878 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCC(=O)OC)c1O ZINC001203615361 939696819 /nfs/dbraw/zinc/69/68/19/939696819.db2.gz STRHPOCWJLOLGF-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882531 939711655 /nfs/dbraw/zinc/71/16/55/939711655.db2.gz KOCQYAAXCWQOID-GFCCVEGCSA-N 1 0 278.352 1.398 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)cc1 ZINC001203936834 939715207 /nfs/dbraw/zinc/71/52/07/939715207.db2.gz OYNJGPUWHAECJY-MRXNPFEDSA-N 1 0 287.407 1.949 20 10 CDCDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204274993 939750076 /nfs/dbraw/zinc/75/00/76/939750076.db2.gz KIFWGHRGWAMKGW-CQSZACIVSA-N 1 0 292.379 1.979 20 10 CDCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204278756 939750750 /nfs/dbraw/zinc/75/07/50/939750750.db2.gz JOMFTEJCYTWGPA-LBPRGKRZSA-N 1 0 250.342 1.624 20 10 CDCDRO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccc(O)cc1O ZINC001204277361 939750774 /nfs/dbraw/zinc/75/07/74/939750774.db2.gz BJXQAVAQAKEHEL-CYBMUJFWSA-N 1 0 289.335 1.061 20 10 CDCDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204280549 939752263 /nfs/dbraw/zinc/75/22/63/939752263.db2.gz KTLIHYQDHQEXOR-AWEZNQCLSA-N 1 0 251.326 1.955 20 10 CDCDRO CCC[NH+]1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204278905 939752511 /nfs/dbraw/zinc/75/25/11/939752511.db2.gz MOJUWVCZWGYOIP-UHFFFAOYSA-N 1 0 250.342 1.625 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001204324476 939755341 /nfs/dbraw/zinc/75/53/41/939755341.db2.gz LNAXCEUCYREPBV-ZBFHGGJFSA-N 1 0 276.380 1.072 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204319022 939755470 /nfs/dbraw/zinc/75/54/70/939755470.db2.gz DWQWKGYGXPIMRD-OAHLLOKOSA-N 1 0 287.407 1.984 20 10 CDCDRO COc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc(O)c1O ZINC001204342029 939757018 /nfs/dbraw/zinc/75/70/18/939757018.db2.gz ITNANXIDDIUEOR-GFCCVEGCSA-N 1 0 278.352 1.386 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@](F)(CO)CC2)cc(O)c1O ZINC001204344853 939758460 /nfs/dbraw/zinc/75/84/60/939758460.db2.gz ZHVWHAKUBCMVCM-OAHLLOKOSA-N 1 0 299.342 1.793 20 10 CDCDRO COc1cc(CN2CCC([NH+]3CCC3)CC2)cc(O)c1O ZINC001204349843 939759506 /nfs/dbraw/zinc/75/95/06/939759506.db2.gz CHWGMUKAESFJAO-UHFFFAOYSA-N 1 0 292.379 1.777 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1c(F)ccc(F)c1[O-] ZINC001205068715 939819674 /nfs/dbraw/zinc/81/96/74/939819674.db2.gz MXVGEHYQUOJMMG-IUCAKERBSA-N 1 0 256.296 1.982 20 10 CDCDRO Cc1c(O)ccc(CN2[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205069213 939820040 /nfs/dbraw/zinc/82/00/40/939820040.db2.gz WFGROKKMPNNEOR-CABZTGNLSA-N 1 0 250.342 1.718 20 10 CDCDRO [NH3+]C[C@]1(O)CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001205221169 939837672 /nfs/dbraw/zinc/83/76/72/939837672.db2.gz QHXFLQLUJUSUOZ-AWEZNQCLSA-N 1 0 268.332 1.207 20 10 CDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206415383 940034722 /nfs/dbraw/zinc/03/47/22/940034722.db2.gz VWSKZHMSUPVZSF-CABCVRRESA-N 1 0 293.386 1.394 20 10 CDCDRO N[C@@H](C[NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217700339 941005989 /nfs/dbraw/zinc/00/59/89/941005989.db2.gz BLBYOFMKZRTBQX-LBPRGKRZSA-N 1 0 269.308 1.486 20 10 CDCDRO O[C@@H]1CC[NH2+][C@@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217751797 941017453 /nfs/dbraw/zinc/01/74/53/941017453.db2.gz OICIGQCKUFASAS-KGLIPLIRSA-N 1 0 296.330 1.923 20 10 CDCDRO Nc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC001524009741 970788753 /nfs/dbraw/zinc/78/87/53/970788753.db2.gz VDKJHPHHYVKARK-LBPRGKRZSA-N 1 0 261.369 1.665 20 10 CDCDRO CC(C)C[C@@](C)([NH3+])C(=O)NCc1ccccc1O ZINC001219923545 941396619 /nfs/dbraw/zinc/39/66/19/941396619.db2.gz QVPLNVFYCFJKRJ-CQSZACIVSA-N 1 0 250.342 1.772 20 10 CDCDRO COc1cc(CN2CCC[C@]23CCC[NH2+]C3)c(O)cc1O ZINC001222247403 941578202 /nfs/dbraw/zinc/57/82/02/941578202.db2.gz FBLXZVJPWPVRLE-INIZCTEOSA-N 1 0 292.379 1.824 20 10 CDCDRO Oc1cccc(Cl)c1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502602 941604734 /nfs/dbraw/zinc/60/47/34/941604734.db2.gz NNZJVBGMKSWGMX-KBPBESRZSA-N 1 0 295.814 1.571 20 10 CDCDRO CC[N@H+](CCC[NH+](C)C)Cc1cc(C(=O)[O-])ccc1O ZINC001231565730 942931049 /nfs/dbraw/zinc/93/10/49/942931049.db2.gz BEVRARRNGJLBTF-UHFFFAOYSA-N 1 0 280.368 1.864 20 10 CDCDRO COc1cc(C[NH+]2CCC(OC)CC2)c(O)cc1O ZINC001231634654 942950117 /nfs/dbraw/zinc/95/01/17/942950117.db2.gz QDOXAXVGYLGWBH-UHFFFAOYSA-N 1 0 267.325 1.717 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(O)cc1O ZINC001231636829 942951865 /nfs/dbraw/zinc/95/18/65/942951865.db2.gz AIYOWCLNXKXRRG-MWLCHTKSSA-N 1 0 267.325 1.452 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCCO1 ZINC001231847794 943027935 /nfs/dbraw/zinc/02/79/35/943027935.db2.gz DSOFOMVLRVZHQV-HNNXBMFYSA-N 1 0 293.363 1.773 20 10 CDCDRO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232266088 943195329 /nfs/dbraw/zinc/19/53/29/943195329.db2.gz QKSVDCYBWASLPC-SECBINFHSA-N 1 0 257.717 1.972 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC001232264480 943195491 /nfs/dbraw/zinc/19/54/91/943195491.db2.gz HUCITNWKKYOUSC-VIFPVBQESA-N 1 0 298.770 1.752 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc1Cl ZINC001232267130 943197723 /nfs/dbraw/zinc/19/77/23/943197723.db2.gz XJKYTZCPXFIBCG-JQWIXIFHSA-N 1 0 289.734 1.959 20 10 CDCDRO CN(C)c1ccc(CN2CCOC[C@H]2C[NH+](C)C)c(O)c1 ZINC001232840706 943416863 /nfs/dbraw/zinc/41/68/63/943416863.db2.gz HOMLCIKYTPYXAT-OAHLLOKOSA-N 1 0 293.411 1.221 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233011007 943462299 /nfs/dbraw/zinc/46/22/99/943462299.db2.gz XMZAXINOHFEVIQ-CQSZACIVSA-N 1 0 267.325 1.540 20 10 CDCDRO CN(CC[NH+]1CCCC1)Cc1cc(O)c(O)c(O)c1 ZINC001233015882 943465006 /nfs/dbraw/zinc/46/50/06/943465006.db2.gz CMDUXRGDYGZRMP-UHFFFAOYSA-N 1 0 266.341 1.331 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233017736 943465712 /nfs/dbraw/zinc/46/57/12/943465712.db2.gz ZTDZFBGBVAEUSQ-KOLCDFICSA-N 1 0 295.335 1.434 20 10 CDCDRO CO[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485634 943593478 /nfs/dbraw/zinc/59/34/78/943593478.db2.gz DYGZJROBCGWPDW-NSHDSACASA-N 1 0 267.325 1.804 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)[C@H](C)C1 ZINC001233487868 943595128 /nfs/dbraw/zinc/59/51/28/943595128.db2.gz VDQIXJZIDSJIQP-KOLCDFICSA-N 1 0 267.325 1.803 20 10 CDCDRO Cc1c(CN2CCN[C@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235055225 944029815 /nfs/dbraw/zinc/02/98/15/944029815.db2.gz STDLXVRMHMHKRF-SFHVURJKSA-N 1 0 298.434 1.624 20 10 CDCDRO Cc1c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c2ccccc2n1C ZINC001235991839 944357827 /nfs/dbraw/zinc/35/78/27/944357827.db2.gz GKMCOBBJIIUDRU-UUVAVEHKSA-N 1 0 299.418 1.892 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236022783 944379051 /nfs/dbraw/zinc/37/90/51/944379051.db2.gz DUADRSSWAIUZGH-BBRMVZONSA-N 1 0 275.396 1.771 20 10 CDCDRO CN1CCCc2cc(CN3C[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC001236286817 944446353 /nfs/dbraw/zinc/44/63/53/944446353.db2.gz LUJRIOZRURGCRJ-GDBMZVCRSA-N 1 0 257.381 1.473 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001236783605 944566911 /nfs/dbraw/zinc/56/69/11/944566911.db2.gz MXYQMFQNCOAVAR-HOTGVXAUSA-N 1 0 279.380 1.520 20 10 CDCDRO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001236786945 944567995 /nfs/dbraw/zinc/56/79/95/944567995.db2.gz SMWUMAREWLYTHS-ZBFHGGJFSA-N 1 0 276.380 1.469 20 10 CDCDRO COc1cc(O)c(C[N@H+]2CCC(=O)N(C)CC2)c(Cl)c1 ZINC001236800158 944573340 /nfs/dbraw/zinc/57/33/40/944573340.db2.gz SWNIPTREVUCINX-UHFFFAOYSA-N 1 0 298.770 1.718 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCC(=O)OC)c(O)c1 ZINC001237046660 944647535 /nfs/dbraw/zinc/64/75/35/944647535.db2.gz PQEZAELAINLJLS-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001237681025 944923441 /nfs/dbraw/zinc/92/34/41/944923441.db2.gz KJLXFBWHYTULFT-HIFRSBDPSA-N 1 0 299.798 1.919 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001256015440 948159003 /nfs/dbraw/zinc/15/90/03/948159003.db2.gz ZLKQYECPUVMMPI-GFCCVEGCSA-N 1 0 294.351 1.461 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(O)c1 ZINC001249173818 949439543 /nfs/dbraw/zinc/43/95/43/949439543.db2.gz XFAPKEHRKLQGBD-RISCZKNCSA-N 1 0 293.363 1.453 20 10 CDCDRO Oc1ccc(CC[NH2+]C[C@@H](O)C(F)(F)F)cc1O ZINC001250990795 950531183 /nfs/dbraw/zinc/53/11/83/950531183.db2.gz BUIKAVADCWBCPH-SNVBAGLBSA-N 1 0 265.231 1.153 20 10 CDCDRO CCCCC[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253517462 951935582 /nfs/dbraw/zinc/93/55/82/951935582.db2.gz GBTSPRLMPBUNQW-WFASDCNBSA-N 1 0 283.368 1.662 20 10 CDCDRO COCC[NH2+]CCNCc1ccc(N2CCCC2)cc1 ZINC001327416072 954869156 /nfs/dbraw/zinc/86/91/56/954869156.db2.gz NBEDPYOGRXMBEB-UHFFFAOYSA-N 1 0 277.412 1.612 20 10 CDCDRO C[NH2+][C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001328677714 955410900 /nfs/dbraw/zinc/41/09/00/955410900.db2.gz SXLWQFXFOLPNFM-SECBINFHSA-N 1 0 283.328 1.397 20 10 CDCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1COCO1 ZINC001335072420 959560725 /nfs/dbraw/zinc/56/07/25/959560725.db2.gz ONMUQIFLAXJLTN-HNNXBMFYSA-N 1 0 262.353 1.749 20 10 CDCDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001335285525 959682816 /nfs/dbraw/zinc/68/28/16/959682816.db2.gz OSRBDUBTGXQHQQ-HNNXBMFYSA-N 1 0 264.369 1.896 20 10 CDCDRO CN(C1CC[NH+](Cc2ccc(N)cc2)CC1)S(C)(=O)=O ZINC001336117427 960210666 /nfs/dbraw/zinc/21/06/66/960210666.db2.gz MVKWGTPDPSIXJI-UHFFFAOYSA-N 1 0 297.424 1.125 20 10 CDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c(O)cccc1F ZINC001341122008 963285122 /nfs/dbraw/zinc/28/51/22/963285122.db2.gz ALIIFUNQUDVKBJ-JTNORFRNSA-N 1 0 278.327 1.559 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001356083690 969329010 /nfs/dbraw/zinc/32/90/10/969329010.db2.gz XYKFWAWHJRKRRG-JTQLQIEISA-N 1 0 256.371 1.182 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC001514645990 976320292 /nfs/dbraw/zinc/32/02/92/976320292.db2.gz PBFSXRBFIBEEJK-CHWSQXEVSA-N 1 0 259.353 1.197 20 10 CDCDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001575006633 1171080297 /nfs/dbraw/zinc/08/02/97/1171080297.db2.gz OZUDAHSNVFLUDO-OAHLLOKOSA-N 1 0 261.369 1.759 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCCN(CCCO)C2)c1O ZINC000295116717 199354457 /nfs/dbraw/zinc/35/44/57/199354457.db2.gz MNGLCUSZKWJWEW-AWEZNQCLSA-N 1 0 294.395 1.337 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CN(C)CCN2C)cc1 ZINC000225328915 363088438 /nfs/dbraw/zinc/08/84/38/363088438.db2.gz NWHPCOUEXRYQBC-INIZCTEOSA-N 1 0 276.428 1.088 20 10 CDCDRO COc1ccc(O)c(CN2CCNC(=O)[C@@H]2CC(C)C)c1 ZINC000188910146 357950936 /nfs/dbraw/zinc/95/09/36/357950936.db2.gz ABEFBBQESGGGDX-AWEZNQCLSA-N 1 0 292.379 1.747 20 10 CDCDRO CCN1CCC[C@H]1C[NH2+]Cc1cc(OC)ccc1O ZINC000020092044 358324905 /nfs/dbraw/zinc/32/49/05/358324905.db2.gz SESPTDWOOCYTJT-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000270566159 364656520 /nfs/dbraw/zinc/65/65/20/364656520.db2.gz RVIXBLZJIWGERK-LLVKDONJSA-N 1 0 279.258 1.804 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000271028737 364881749 /nfs/dbraw/zinc/88/17/49/364881749.db2.gz XKVPOOHLRWQKIU-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272334908 365193761 /nfs/dbraw/zinc/19/37/61/365193761.db2.gz XDKUVOHWVGXBJN-VIFPVBQESA-N 1 0 253.273 1.526 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCS(C)(=O)=O)c(O)c1C ZINC000273603187 365512226 /nfs/dbraw/zinc/51/22/26/365512226.db2.gz SNCPPWXHIGGMRI-NSHDSACASA-N 1 0 271.382 1.704 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296243940 371419664 /nfs/dbraw/zinc/41/96/64/371419664.db2.gz AXIHOWWINNCHOU-PWSUYJOCSA-N 1 0 262.353 1.836 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000247230807 377070330 /nfs/dbraw/zinc/07/03/30/377070330.db2.gz WHKUQZJOHJSEED-HIFRSBDPSA-N 1 0 293.363 1.781 20 10 CDCDRO OCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000053044828 377686328 /nfs/dbraw/zinc/68/63/28/377686328.db2.gz FASNRJFBIKHSGB-UHFFFAOYSA-N 1 0 290.407 1.918 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1O ZINC000186299889 378846386 /nfs/dbraw/zinc/84/63/86/378846386.db2.gz MRFQEZFFZWZTEZ-OCCSQVGLSA-N 1 0 251.326 1.584 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185331380 262050614 /nfs/dbraw/zinc/05/06/14/262050614.db2.gz PUBXUVHXALTTNF-SECBINFHSA-N 1 0 275.345 1.617 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000118963387 390837777 /nfs/dbraw/zinc/83/77/77/390837777.db2.gz FAURFZADOUOJJG-CYBMUJFWSA-N 1 0 276.380 1.967 20 10 CDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000133047929 390901045 /nfs/dbraw/zinc/90/10/45/390901045.db2.gz IAQZEDRDNSQRQM-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000179409394 391204636 /nfs/dbraw/zinc/20/46/36/391204636.db2.gz ZPJNKUHWKUXAKA-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO Cn1cnnc1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179559712 391210098 /nfs/dbraw/zinc/21/00/98/391210098.db2.gz YXXZDGXMMGWDAB-UHFFFAOYSA-N 1 0 272.352 1.900 20 10 CDCDRO Cc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1O ZINC000158076220 392413727 /nfs/dbraw/zinc/41/37/27/392413727.db2.gz YSPXXWQOQOMUPV-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C[NH3+])OC)cc1F ZINC000290211802 263115467 /nfs/dbraw/zinc/11/54/67/263115467.db2.gz SCXAOPCBTMLIAH-AWEZNQCLSA-N 1 0 297.374 1.262 20 10 CDCDRO C[NH+](C)C[C@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000272324507 276806742 /nfs/dbraw/zinc/80/67/42/276806742.db2.gz UYLRVNQUHVFSLE-LBPRGKRZSA-N 1 0 268.332 1.294 20 10 CDCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)CN1CCOCC1 ZINC000297540426 278287131 /nfs/dbraw/zinc/28/71/31/278287131.db2.gz FBCUDQCWBSYTNT-ZFWWWQNUSA-N 1 0 290.407 1.937 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C[NH3+])OC)cc1 ZINC000290016098 520902457 /nfs/dbraw/zinc/90/24/57/520902457.db2.gz QQJIBXOGQLRLCZ-AWEZNQCLSA-N 1 0 279.384 1.123 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000279751721 521150654 /nfs/dbraw/zinc/15/06/54/521150654.db2.gz YTIFMQAVOOXRKC-UHFFFAOYSA-N 1 0 299.392 1.458 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CN(C)C)c1 ZINC000290157555 521154893 /nfs/dbraw/zinc/15/48/93/521154893.db2.gz POGLBXIIHUFWOJ-NSHDSACASA-N 1 0 252.358 1.831 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000237184475 522047462 /nfs/dbraw/zinc/04/74/62/522047462.db2.gz HFKGUCRECHNYPZ-LSDHHAIUSA-N 1 0 275.396 1.800 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]CC2CC2)cc1F ZINC000269247772 522191631 /nfs/dbraw/zinc/19/16/31/522191631.db2.gz MWUZNKWSKVTKFK-UHFFFAOYSA-N 1 0 279.359 1.508 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000040825954 522200361 /nfs/dbraw/zinc/20/03/61/522200361.db2.gz NUDAUTXEDKMGGU-CYBMUJFWSA-N 1 0 263.385 1.742 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000071267952 522424478 /nfs/dbraw/zinc/42/44/78/522424478.db2.gz CQSPSABOYXBIHX-FZMZJTMJSA-N 1 0 252.358 1.411 20 10 CDCDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000061376362 523607840 /nfs/dbraw/zinc/60/78/40/523607840.db2.gz CQDAPPHNDUFJSZ-ZDUSSCGKSA-N 1 0 266.385 1.929 20 10 CDCDRO COCCN(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000061376358 523610596 /nfs/dbraw/zinc/61/05/96/523610596.db2.gz CQDAPPHNDUFJSZ-CYBMUJFWSA-N 1 0 266.385 1.929 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000263770372 523827789 /nfs/dbraw/zinc/82/77/89/523827789.db2.gz TUGSCNKBPMCCRZ-GFCCVEGCSA-N 1 0 263.341 1.286 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000266170757 523866645 /nfs/dbraw/zinc/86/66/45/523866645.db2.gz CGSNYYPELISJCY-OAHLLOKOSA-N 1 0 278.396 1.819 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285688777 524581932 /nfs/dbraw/zinc/58/19/32/524581932.db2.gz ALAMEXNNUDKPJJ-VIFPVBQESA-N 1 0 253.321 1.103 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280294785 524747241 /nfs/dbraw/zinc/74/72/41/524747241.db2.gz OLOZOUYXZVGMMY-MLGOLLRUSA-N 1 0 293.363 1.781 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(F)ccc1O ZINC000094618238 525485242 /nfs/dbraw/zinc/48/52/42/525485242.db2.gz DDGDQEYVHYGYTN-DGCLKSJQSA-N 1 0 281.375 1.428 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801765 525506733 /nfs/dbraw/zinc/50/67/33/525506733.db2.gz RSIGQQIYGCUPFT-PBHICJAKSA-N 1 0 290.455 1.649 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000364892905 525943013 /nfs/dbraw/zinc/94/30/13/525943013.db2.gz PVIKXMDGADCCEY-HNNXBMFYSA-N 1 0 292.335 1.475 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000264978895 526363084 /nfs/dbraw/zinc/36/30/84/526363084.db2.gz SYASACJRPXLLNU-LLVKDONJSA-N 1 0 284.787 1.592 20 10 CDCDRO O=C(NCc1ccc(O)c(O)c1)C1CC[NH+](C2CC2)CC1 ZINC000279960987 526687238 /nfs/dbraw/zinc/68/72/38/526687238.db2.gz SUHLASFATJOTJL-UHFFFAOYSA-N 1 0 290.363 1.588 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000374597803 527476235 /nfs/dbraw/zinc/47/62/35/527476235.db2.gz VCMVTHBFANYMER-QEJZJMRPSA-N 1 0 273.380 1.397 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000726797825 574506596 /nfs/dbraw/zinc/50/65/96/574506596.db2.gz ZDFAIQWXQPWJPG-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO C[C@H](CNC(=O)C1=CC(=O)CS1)C[NH+]1CCCC1 ZINC000731870761 575067099 /nfs/dbraw/zinc/06/70/99/575067099.db2.gz OQSFBOKMASLXMV-SNVBAGLBSA-N 1 0 268.382 1.915 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000769555632 575359311 /nfs/dbraw/zinc/35/93/11/575359311.db2.gz HVURTILTFZRBRE-INIZCTEOSA-N 1 0 293.363 1.782 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[NH+](C)C ZINC000734651867 575368717 /nfs/dbraw/zinc/36/87/17/575368717.db2.gz CYPBEWFACCHGES-UHFFFAOYSA-N 1 0 292.427 1.812 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cc(OC)ccc2O)CCOC1 ZINC000768532292 576293534 /nfs/dbraw/zinc/29/35/34/576293534.db2.gz DTBZMWFOLZXJFP-OAHLLOKOSA-N 1 0 295.335 1.213 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCc1ccn(C)n1 ZINC000760651160 576499316 /nfs/dbraw/zinc/49/93/16/576499316.db2.gz XUXKNKLOIBJCOU-UHFFFAOYSA-N 1 0 261.325 1.467 20 10 CDCDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000741262824 576547726 /nfs/dbraw/zinc/54/77/26/576547726.db2.gz WVYIRRZOFIBJMD-LBPRGKRZSA-N 1 0 291.303 1.846 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CCc1cnccn1 ZINC000761213282 576559471 /nfs/dbraw/zinc/55/94/71/576559471.db2.gz HJQGYILLOKLZOE-UHFFFAOYSA-N 1 0 273.336 1.865 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000761222171 576561071 /nfs/dbraw/zinc/56/10/71/576561071.db2.gz IMCWPUUSELAHHU-TZMCWYRMSA-N 1 0 269.316 1.815 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1C ZINC000762787325 576671683 /nfs/dbraw/zinc/67/16/83/576671683.db2.gz QSAUQRXQVYJDTC-UHFFFAOYSA-N 1 0 285.409 1.922 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](O)c1ccco1 ZINC000747099132 576858646 /nfs/dbraw/zinc/85/86/46/576858646.db2.gz RPFJRBGXNWSOSS-LBPRGKRZSA-N 1 0 263.293 1.817 20 10 CDCDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(F)ccc1O ZINC000757658579 577049014 /nfs/dbraw/zinc/04/90/14/577049014.db2.gz HXRAJMWJFPNXNA-IINYFYTJSA-N 1 0 283.343 1.969 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCN2CCC2)c1 ZINC000752108685 577089494 /nfs/dbraw/zinc/08/94/94/577089494.db2.gz WCFCOWFYRBHYTG-UHFFFAOYSA-N 1 0 250.342 1.586 20 10 CDCDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)O)[NH+](C)C)cc1 ZINC000891247997 617391200 /nfs/dbraw/zinc/39/12/00/617391200.db2.gz JUIMOADQSGDVSY-CQSZACIVSA-N 1 0 293.411 1.242 20 10 CDCDRO COCCCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892588050 617522670 /nfs/dbraw/zinc/52/26/70/617522670.db2.gz CCCXUMUERXMKOC-UHFFFAOYSA-N 1 0 269.341 1.926 20 10 CDCDRO Oc1ccc(Br)cc1CN1CCC[NH2+]CC1 ZINC000219383894 617695030 /nfs/dbraw/zinc/69/50/30/617695030.db2.gz CHECIRHDJOPCLX-UHFFFAOYSA-N 1 0 285.185 1.950 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)OC ZINC000893485253 617980400 /nfs/dbraw/zinc/98/04/00/617980400.db2.gz VSEAPDVNLJKNFI-LLVKDONJSA-N 1 0 285.340 1.160 20 10 CDCDRO C[N@H+](Cc1ccccc1O)C(C)(C)CN1CCOCC1 ZINC000840977442 617983698 /nfs/dbraw/zinc/98/36/98/617983698.db2.gz KRQCOTGCKYVXEC-UHFFFAOYSA-N 1 0 278.396 1.935 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000840977848 617984096 /nfs/dbraw/zinc/98/40/96/617984096.db2.gz KLSNYKGFOHXXBF-NEPJUHHUSA-N 1 0 265.353 1.994 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cc(C)cc(OC)c1O ZINC000893968612 618227551 /nfs/dbraw/zinc/22/75/51/618227551.db2.gz CWADMNMWRUUQJF-UHFFFAOYSA-N 1 0 280.368 1.667 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCN(C(N)=O)CC2)c1O ZINC000893986764 618238088 /nfs/dbraw/zinc/23/80/88/618238088.db2.gz MCRGROUNMZJUDV-UHFFFAOYSA-N 1 0 293.367 1.296 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)c1O ZINC000894275880 618409850 /nfs/dbraw/zinc/40/98/50/618409850.db2.gz JRZUJGWCRRGXTH-CYBMUJFWSA-N 1 0 292.379 1.808 20 10 CDCDRO Fc1cc(CN[C@H]2CC[NH2+]C2)ccc1N1CCOCC1 ZINC000841045411 618678802 /nfs/dbraw/zinc/67/88/02/618678802.db2.gz ULDUKHXRXPWBPL-ZDUSSCGKSA-N 1 0 279.359 1.114 20 10 CDCDRO CCOCc1cc(CN[C@@H](C)C[NH3+])ccc1OC ZINC000841064556 618679130 /nfs/dbraw/zinc/67/91/30/618679130.db2.gz YKQJJSFEUFZPER-NSHDSACASA-N 1 0 252.358 1.669 20 10 CDCDRO CCOc1ccc(CN2CCCO[C@@H](C[NH3+])C2)c(O)c1 ZINC000841100200 618682278 /nfs/dbraw/zinc/68/22/78/618682278.db2.gz GLCRXSABLXJKEM-AWEZNQCLSA-N 1 0 280.368 1.341 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000841850346 618728614 /nfs/dbraw/zinc/72/86/14/618728614.db2.gz NBVPCRQPJUDTKK-UHFFFAOYSA-N 1 0 287.407 1.804 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)COCC2CC2)c1O ZINC000894218160 618729910 /nfs/dbraw/zinc/72/99/10/618729910.db2.gz JFIVAZQHSWEZPS-CQSZACIVSA-N 1 0 295.379 1.586 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1O ZINC000894338717 618793478 /nfs/dbraw/zinc/79/34/78/618793478.db2.gz JNYJPQNWBGICMZ-GXTWGEPZSA-N 1 0 295.379 1.993 20 10 CDCDRO COC(=O)N1CC([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894346627 618805176 /nfs/dbraw/zinc/80/51/76/618805176.db2.gz VAKQSGSWMAHQCW-UHFFFAOYSA-N 1 0 280.324 1.249 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@]2(OC)CCOC2)c1O ZINC000894469267 618905656 /nfs/dbraw/zinc/90/56/56/618905656.db2.gz GJHCCHIJLILVBC-OAHLLOKOSA-N 1 0 281.352 1.604 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H]1CCCO1 ZINC000894593714 618985737 /nfs/dbraw/zinc/98/57/37/618985737.db2.gz ATSRGEYXRKVFAJ-ZIAGYGMSSA-N 1 0 295.379 1.993 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000895001557 619188396 /nfs/dbraw/zinc/18/83/96/619188396.db2.gz PWJYEWZJRYRNFP-LLVKDONJSA-N 1 0 280.368 1.712 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000895008233 619205560 /nfs/dbraw/zinc/20/55/60/619205560.db2.gz UFZVJGFFCVZUNI-NSHDSACASA-N 1 0 288.351 1.817 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000895045448 619222073 /nfs/dbraw/zinc/22/20/73/619222073.db2.gz KBKLBLXYKYGRJH-UHFFFAOYSA-N 1 0 272.732 1.463 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3cc(=O)[nH]cn3)cc2)CC1 ZINC000895143781 619348950 /nfs/dbraw/zinc/34/89/50/619348950.db2.gz BFAYSTAQDORJCZ-UHFFFAOYSA-N 1 0 299.378 1.546 20 10 CDCDRO O=C1NCCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)O1 ZINC000897012583 620345474 /nfs/dbraw/zinc/34/54/74/620345474.db2.gz GNAIKNAFHHPYII-UHFFFAOYSA-N 1 0 294.326 1.996 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC000897683773 621072039 /nfs/dbraw/zinc/07/20/39/621072039.db2.gz GSFIXDFUNKRKEH-IINYFYTJSA-N 1 0 251.326 1.604 20 10 CDCDRO CC[C@@H](CO)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000929153197 621462467 /nfs/dbraw/zinc/46/24/67/621462467.db2.gz SNZUYXPBLVQFGN-ZDUSSCGKSA-N 1 0 264.369 1.588 20 10 CDCDRO COC[C@]1(CNCc2cc(F)ccc2O)CCC[NH2+]1 ZINC000841067290 621698632 /nfs/dbraw/zinc/69/86/32/621698632.db2.gz MWCSPUYLGFHQAX-CQSZACIVSA-N 1 0 268.332 1.390 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1ccc(O)cc1O ZINC000910950510 629114859 /nfs/dbraw/zinc/11/48/59/629114859.db2.gz GLWQTRFPHVQFKI-UHFFFAOYSA-N 1 0 252.314 1.056 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@@]1(F)CC[NH2+]C1 ZINC000829528674 630911099 /nfs/dbraw/zinc/91/10/99/630911099.db2.gz VDTZDMVLSPIIAY-LLVKDONJSA-N 1 0 289.401 1.443 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](CO)SC)c1O ZINC000152437273 631045865 /nfs/dbraw/zinc/04/58/65/631045865.db2.gz ALSVUEXSBVMSPG-CABZTGNLSA-N 1 0 271.382 1.603 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921737111 633253170 /nfs/dbraw/zinc/25/31/70/633253170.db2.gz AQOKPJOZSOAXJJ-GFCCVEGCSA-N 1 0 297.420 1.924 20 10 CDCDRO CCOC(=O)N1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC000041116464 1158525689 /nfs/dbraw/zinc/52/56/89/1158525689.db2.gz DJBHCWFFCOBLJY-UHFFFAOYSA-N 1 0 294.351 1.808 20 10 CDCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1COCCO1 ZINC000037998273 1159739531 /nfs/dbraw/zinc/73/95/31/1159739531.db2.gz GHPYBFKBPAEYBX-INIZCTEOSA-N 1 0 276.380 1.792 20 10 CDCDRO CN1CC[C@@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272386173 1161083131 /nfs/dbraw/zinc/08/31/31/1161083131.db2.gz BEABKXCHURRSRK-HNNXBMFYSA-N 1 0 276.336 1.152 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)CCCF)cc1C ZINC001132463033 1163310664 /nfs/dbraw/zinc/31/06/64/1163310664.db2.gz JLRSVMNQDSKFDV-UHFFFAOYSA-N 1 0 282.359 1.959 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877469422 1166042321 /nfs/dbraw/zinc/04/23/21/1166042321.db2.gz VCQYTKBZZGHPKN-LLVKDONJSA-N 1 0 250.342 1.657 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001576051413 1171322521 /nfs/dbraw/zinc/32/25/21/1171322521.db2.gz BMDPWALCDQSXQR-HZMBPMFUSA-N 1 0 294.395 1.909 20 10 CDCDRO COc1ccc(CNC(=O)C2(F)CC[NH2+]CC2)c(O)c1 ZINC001579213102 1172116701 /nfs/dbraw/zinc/11/67/01/1172116701.db2.gz CWMVFTCKLJZPDU-UHFFFAOYSA-N 1 0 282.315 1.109 20 10 CDCDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(O)c2)C1 ZINC001580207536 1172374574 /nfs/dbraw/zinc/37/45/74/1172374574.db2.gz VPAZNFROTHOIQZ-VBROQKIQSA-N 1 0 295.342 1.717 20 10 CDCDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[NH2+]C1 ZINC001580718170 1172521050 /nfs/dbraw/zinc/52/10/50/1172521050.db2.gz FHXCEFQYXXYTJR-SECBINFHSA-N 1 0 269.732 1.207 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000271155939 1183713301 /nfs/dbraw/zinc/71/33/01/1183713301.db2.gz CWZUIMVHQRJNIB-CYBMUJFWSA-N 1 0 273.332 1.739 20 10 CDCDRO CC[NH2+]C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001754535686 1185663311 /nfs/dbraw/zinc/66/33/11/1185663311.db2.gz NNNIBKRPTLJDCI-UHFFFAOYSA-N 1 0 289.339 1.721 20 10 CDCDRO C[NH2+]CCCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666885 751412811 /nfs/dbraw/zinc/41/28/11/751412811.db2.gz JNWNPEUEYSFQPD-SNVBAGLBSA-N 1 0 266.341 1.578 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCCOCC[NH+](C)C)c1 ZINC000875523988 751414558 /nfs/dbraw/zinc/41/45/58/751414558.db2.gz OSNZTUPHFQKBHE-UHFFFAOYSA-N 1 0 295.383 1.078 20 10 CDCDRO C[C@H](O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000848928204 751498883 /nfs/dbraw/zinc/49/88/83/751498883.db2.gz AUICNNMOPDORPA-AWEZNQCLSA-N 1 0 290.407 1.868 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858161638 751562491 /nfs/dbraw/zinc/56/24/91/751562491.db2.gz CIBINVLJKOTAAQ-LLVKDONJSA-N 1 0 288.338 1.518 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000779202196 751609216 /nfs/dbraw/zinc/60/92/16/751609216.db2.gz LFAFFQRVRUFHEI-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000841652783 751805212 /nfs/dbraw/zinc/80/52/12/751805212.db2.gz GDXRPQXUVBWIDI-CHWSQXEVSA-N 1 0 290.411 1.644 20 10 CDCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000817943316 751822777 /nfs/dbraw/zinc/82/27/77/751822777.db2.gz UHBHWXOGBUISCX-VBNZEHGJSA-N 1 0 277.412 1.910 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846144574 751824353 /nfs/dbraw/zinc/82/43/53/751824353.db2.gz LFWXUMYHDOSYFD-QWRGUYRKSA-N 1 0 269.341 1.449 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C/C=C\CO)c1 ZINC000850507453 751828843 /nfs/dbraw/zinc/82/88/43/751828843.db2.gz GSIIEDCRKGWGMC-XOULXFPDSA-N 1 0 265.309 1.378 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1O ZINC000848900265 751934259 /nfs/dbraw/zinc/93/42/59/751934259.db2.gz ZOKGRALUFQSNRF-SWLSCSKDSA-N 1 0 278.396 1.763 20 10 CDCDRO C[C@]1(CNC(=O)NCCc2ccc(N)cc2)CCC[NH2+]C1 ZINC000841955504 752176034 /nfs/dbraw/zinc/17/60/34/752176034.db2.gz FHAVITSBOOBLNT-INIZCTEOSA-N 1 0 290.411 1.500 20 10 CDCDRO OC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCOC1 ZINC000840964330 752385264 /nfs/dbraw/zinc/38/52/64/752385264.db2.gz ZZTUCCAUKLPKCC-GWCFXTLKSA-N 1 0 285.771 1.923 20 10 CDCDRO COc1c(O)c(CN(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000843049930 752229230 /nfs/dbraw/zinc/22/92/30/752229230.db2.gz YWPZRYCFOREEAJ-JTQLQIEISA-N 1 0 281.312 1.103 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000832178101 752236265 /nfs/dbraw/zinc/23/62/65/752236265.db2.gz NNVWCFWENQHBDM-CHWSQXEVSA-N 1 0 278.352 1.405 20 10 CDCDRO CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109770062 749383670 /nfs/dbraw/zinc/38/36/70/749383670.db2.gz QMTBCUTZOPJYQU-SNVBAGLBSA-N 1 0 279.340 1.058 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884232113 749572149 /nfs/dbraw/zinc/57/21/49/749572149.db2.gz ISOOOPJNFALCMA-ZDUSSCGKSA-N 1 0 289.379 1.605 20 10 CDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818985521 749623413 /nfs/dbraw/zinc/62/34/13/749623413.db2.gz VXJYRAQAJPXTPF-ZDUSSCGKSA-N 1 0 284.375 1.769 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c(O)c1C ZINC000840804314 749689943 /nfs/dbraw/zinc/68/99/43/749689943.db2.gz CUXHRDALANEPDQ-OLZOCXBDSA-N 1 0 290.367 1.312 20 10 CDCDRO COc1ccc(CNC(=O)CCC(C)(C)[NH3+])c(O)c1 ZINC000843499692 749764739 /nfs/dbraw/zinc/76/47/39/749764739.db2.gz LQKZCWGVCFSOPP-UHFFFAOYSA-N 1 0 266.341 1.535 20 10 CDCDRO CCN(CCC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841960080 749858199 /nfs/dbraw/zinc/85/81/99/749858199.db2.gz UOTRPKMPYJLVPO-UHFFFAOYSA-N 1 0 292.427 1.795 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCc2nc(C)n[nH]2)c1O ZINC000846162873 749869591 /nfs/dbraw/zinc/86/95/91/749869591.db2.gz NLLOZKTZPUDJKD-VIFPVBQESA-N 1 0 276.340 1.721 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C(=O)NCCF ZINC000800530835 749869860 /nfs/dbraw/zinc/86/98/60/749869860.db2.gz VZWCFQKQXSRZJE-SSDOTTSWSA-N 1 0 292.713 1.749 20 10 CDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@H]([NH3+])C3)ccc21 ZINC000841758681 749889468 /nfs/dbraw/zinc/88/94/68/749889468.db2.gz IZQCZPCSSJZXLI-AWEZNQCLSA-N 1 0 288.395 1.312 20 10 CDCDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CC2 ZINC000882961422 749912045 /nfs/dbraw/zinc/91/20/45/749912045.db2.gz NCUAMEUXKYQTLD-NSHDSACASA-N 1 0 294.305 1.675 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CCCCC[NH3+] ZINC000037823744 749949020 /nfs/dbraw/zinc/94/90/20/749949020.db2.gz GDXIKRGWULPSEX-UHFFFAOYSA-N 1 0 250.342 1.870 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(F)ccc3O)C[C@@H]21 ZINC000824893196 750235772 /nfs/dbraw/zinc/23/57/72/750235772.db2.gz NFXVNDWEMQKCIG-MFKMUULPSA-N 1 0 250.317 1.667 20 10 CDCDRO CC[NH2+]CCCNC(=O)NCc1ccc(OC)cc1O ZINC000841917329 750246135 /nfs/dbraw/zinc/24/61/35/750246135.db2.gz FGRFLDADLXJPDC-UHFFFAOYSA-N 1 0 281.356 1.200 20 10 CDCDRO [NH3+]CC12CCC(CC1)N2C(=O)N1Cc2cccc(O)c2C1 ZINC000864056539 750290609 /nfs/dbraw/zinc/29/06/09/750290609.db2.gz DXCMPPBYCUUEAZ-UHFFFAOYSA-N 1 0 287.363 1.784 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)C2CCOCC2)c1O ZINC000894269860 750292860 /nfs/dbraw/zinc/29/28/60/750292860.db2.gz WPABSNKOHONDOA-AWEZNQCLSA-N 1 0 295.379 1.586 20 10 CDCDRO COc1cc(O)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)cc1OC ZINC000843066509 750334450 /nfs/dbraw/zinc/33/44/50/750334450.db2.gz XXBAJTQDSBCBAN-PHIMTYICSA-N 1 0 280.368 1.592 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000180851479 750343874 /nfs/dbraw/zinc/34/38/74/750343874.db2.gz YLSPQQVSTZXOFB-VXGBXAGGSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000804381487 750354159 /nfs/dbraw/zinc/35/41/59/750354159.db2.gz OPDCBJXEZLQYLS-HOSRBBHYSA-N 1 0 290.363 1.664 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1O ZINC000848913736 750369246 /nfs/dbraw/zinc/36/92/46/750369246.db2.gz COQHYGAMUZFTKN-MRXNPFEDSA-N 1 0 292.423 1.891 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000092101331 750574265 /nfs/dbraw/zinc/57/42/65/750574265.db2.gz GHNVIBXVASYZTH-CYBMUJFWSA-N 1 0 292.379 1.701 20 10 CDCDRO CCN(C)c1ccc(Cn2cc([C@@H](C)[NH3+])nn2)cc1 ZINC000881313286 750579962 /nfs/dbraw/zinc/57/99/62/750579962.db2.gz HDAYRDZIBLBMPK-LLVKDONJSA-N 1 0 259.357 1.802 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000848566924 750803484 /nfs/dbraw/zinc/80/34/84/750803484.db2.gz MFQNJGRAPWGLFE-SNVBAGLBSA-N 1 0 288.351 1.176 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783737015 750809658 /nfs/dbraw/zinc/80/96/58/750809658.db2.gz XYYVJVAPGLEEFH-DOMZBBRYSA-N 1 0 263.337 1.605 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004217 750820769 /nfs/dbraw/zinc/82/07/69/750820769.db2.gz BVNMJJYRLBPXNA-GFCCVEGCSA-N 1 0 261.369 1.640 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000840178227 750821276 /nfs/dbraw/zinc/82/12/76/750821276.db2.gz NCYIOLJMQLVWSO-CYBMUJFWSA-N 1 0 276.380 1.919 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)C ZINC000036793876 750842284 /nfs/dbraw/zinc/84/22/84/750842284.db2.gz XNCMOFBROYYINF-ZDUSSCGKSA-N 1 0 291.395 1.090 20 10 CDCDRO Cc1cccc(O)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000876784421 750847867 /nfs/dbraw/zinc/84/78/67/750847867.db2.gz FDBLMDIIDMDNCO-OAHLLOKOSA-N 1 0 290.407 1.855 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1F ZINC000835060121 750855649 /nfs/dbraw/zinc/85/56/49/750855649.db2.gz JDCRROMCRCWENC-OAHLLOKOSA-N 1 0 279.359 1.650 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)CC(C)(CO)CO)cc1Cl ZINC000824831553 750867156 /nfs/dbraw/zinc/86/71/56/750867156.db2.gz VCVFDWPLWDTDAK-UHFFFAOYSA-N 1 0 287.787 1.777 20 10 CDCDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)c(O)c1O ZINC000841455647 750887908 /nfs/dbraw/zinc/88/79/08/750887908.db2.gz XPRXBWMJRVAPHE-UHFFFAOYSA-N 1 0 264.325 1.230 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000840936966 750889002 /nfs/dbraw/zinc/88/90/02/750889002.db2.gz PCPYTLBNTCCBOY-HNNXBMFYSA-N 1 0 264.369 1.302 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)CC(N)=O)c(O)c1 ZINC000789597815 751009429 /nfs/dbraw/zinc/00/94/29/751009429.db2.gz XMIRYJMRROUWQP-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CC[C@@H](C)O)cc1 ZINC000844402921 751078263 /nfs/dbraw/zinc/07/82/63/751078263.db2.gz WTNGXWAUYFYAPZ-CYBMUJFWSA-N 1 0 266.385 1.834 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)CC1(O)CCOCC1 ZINC000877459080 751088808 /nfs/dbraw/zinc/08/88/08/751088808.db2.gz GBJVWKRAMXFLHR-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000825502382 751118784 /nfs/dbraw/zinc/11/87/84/751118784.db2.gz XBXJQXJXOUMNCF-MRVPVSSYSA-N 1 0 274.158 1.967 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000886249482 751200370 /nfs/dbraw/zinc/20/03/70/751200370.db2.gz LMLAFZFWJHMAJM-CFWWUVRLSA-N 1 0 286.322 1.005 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779547413 751256311 /nfs/dbraw/zinc/25/63/11/751256311.db2.gz KNBZYLLEMCRSEV-LWSHCTJVSA-N 1 0 290.363 1.662 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CCNC(C)=O)c1O ZINC000842632592 751264078 /nfs/dbraw/zinc/26/40/78/751264078.db2.gz XXFFXKGXCHTJJX-UHFFFAOYSA-N 1 0 266.341 1.277 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCC[S@@](C)=O)cc1OC ZINC000776208835 752320568 /nfs/dbraw/zinc/32/05/68/752320568.db2.gz LTLXXZUMLFMUKW-LJQANCHMSA-N 1 0 287.381 1.268 20 10 CDCDRO CCCCOCCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649286 752431613 /nfs/dbraw/zinc/43/16/13/752431613.db2.gz PKDSXONXJPKYIU-CYBMUJFWSA-N 1 0 294.395 1.976 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000828668228 752432714 /nfs/dbraw/zinc/43/27/14/752432714.db2.gz ZTAZXXOOFVZYJK-NOZJJQNGSA-N 1 0 278.352 1.705 20 10 CDCDRO Cc1cc(C[N@H+]2CCNC(=O)C[C@H]2C)ccc1N(C)C ZINC000815078596 752709781 /nfs/dbraw/zinc/70/97/81/752709781.db2.gz CMHLKIKNVPBTFY-CYBMUJFWSA-N 1 0 275.396 1.771 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)OC ZINC000858156988 752789150 /nfs/dbraw/zinc/78/91/50/752789150.db2.gz AFPYVAWDHZPEDP-LLVKDONJSA-N 1 0 288.338 1.782 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC(=O)O2)c1 ZINC000851900339 752881048 /nfs/dbraw/zinc/88/10/48/752881048.db2.gz SIKPWLDRIYKKER-MWLCHTKSSA-N 1 0 265.309 1.757 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1C ZINC000840974871 752881866 /nfs/dbraw/zinc/88/18/66/752881866.db2.gz JAGLFJHEMQUCME-KBPBESRZSA-N 1 0 265.353 1.184 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCn1cncn1 ZINC000382031673 752890857 /nfs/dbraw/zinc/89/08/57/752890857.db2.gz RSGSEDBKZNUVJR-UHFFFAOYSA-N 1 0 257.341 1.190 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000841937470 753010094 /nfs/dbraw/zinc/01/00/94/753010094.db2.gz SSHDMWVZDJJEPK-AWEZNQCLSA-N 1 0 290.411 1.646 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1O ZINC000848916381 753024856 /nfs/dbraw/zinc/02/48/56/753024856.db2.gz GUZPAJQWEMESNA-HUUCEWRRSA-N 1 0 279.380 1.832 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)CC1=O ZINC000824886732 753031079 /nfs/dbraw/zinc/03/10/79/753031079.db2.gz JXYWENDSOAAFHH-CYBMUJFWSA-N 1 0 262.353 1.719 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C3(C)C[NH2+]C3)ccc21 ZINC000827913883 753076596 /nfs/dbraw/zinc/07/65/96/753076596.db2.gz RGWOENLIANQYID-UHFFFAOYSA-N 1 0 273.380 1.295 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000388568808 753087318 /nfs/dbraw/zinc/08/73/18/753087318.db2.gz CCIIRYUEWVSFGR-UHFFFAOYSA-N 1 0 298.390 1.879 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CNCCO2)cc1 ZINC000817983746 753123377 /nfs/dbraw/zinc/12/33/77/753123377.db2.gz PIYGZHZGBWMDRA-XJKSGUPXSA-N 1 0 277.412 1.782 20 10 CDCDRO O=C1N[C@H]2CC[N@@H+](Cc3ccccc3O)C[C@@H]2CO1 ZINC000798957671 753210430 /nfs/dbraw/zinc/21/04/30/753210430.db2.gz KVLRSMIWGACGQP-NEPJUHHUSA-N 1 0 262.309 1.323 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCCOCCO)cc1Cl ZINC000825475814 753218153 /nfs/dbraw/zinc/21/81/53/753218153.db2.gz VXRMWMFKTGVCBP-UHFFFAOYSA-N 1 0 273.760 1.843 20 10 CDCDRO C[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCCOC1 ZINC000221371923 753234476 /nfs/dbraw/zinc/23/44/76/753234476.db2.gz YGFWMLOTLHVFNY-AWEZNQCLSA-N 1 0 265.309 1.780 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNC(=O)C(C)C ZINC000840927946 753265253 /nfs/dbraw/zinc/26/52/53/753265253.db2.gz IKYPFRGNYBPFPS-UHFFFAOYSA-N 1 0 277.412 1.923 20 10 CDCDRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000019910214 753291373 /nfs/dbraw/zinc/29/13/73/753291373.db2.gz SWHAAAQAVSNDCR-UHFFFAOYSA-N 1 0 292.360 1.329 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)[NH3+])c1 ZINC000828666828 753301364 /nfs/dbraw/zinc/30/13/64/753301364.db2.gz JJJCEZUKOUWULN-QMMMGPOBSA-N 1 0 252.314 1.315 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000841956094 753342925 /nfs/dbraw/zinc/34/29/25/753342925.db2.gz VDLKBEZBRYSMGS-CQSZACIVSA-N 1 0 276.384 1.334 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)c(O)c1 ZINC000832178603 753364964 /nfs/dbraw/zinc/36/49/64/753364964.db2.gz TZNDFWZMJYFOSF-DOMZBBRYSA-N 1 0 276.336 1.017 20 10 CDCDRO COc1cccc(CNC(=O)N[C@@H](C)CCCC[NH3+])c1O ZINC000841997995 753405240 /nfs/dbraw/zinc/40/52/40/753405240.db2.gz UIOMLNBZHAYACS-NSHDSACASA-N 1 0 295.383 1.718 20 10 CDCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccccc1O ZINC000783518216 753475533 /nfs/dbraw/zinc/47/55/33/753475533.db2.gz KBIQTDFWIBNHSG-SLEUVZQESA-N 1 0 264.369 1.762 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000825158406 753506398 /nfs/dbraw/zinc/50/63/98/753506398.db2.gz KPTGJQZGKLZNSQ-CQSZACIVSA-N 1 0 285.771 1.876 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)NCCCSc1nccs1 ZINC000841858133 753519635 /nfs/dbraw/zinc/51/96/35/753519635.db2.gz TYGRYHSEAVOWQT-SECBINFHSA-N 1 0 288.442 1.519 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000817366489 753541038 /nfs/dbraw/zinc/54/10/38/753541038.db2.gz TWGQXPAIGSVALC-AWEZNQCLSA-N 1 0 262.353 1.719 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000850389939 753564859 /nfs/dbraw/zinc/56/48/59/753564859.db2.gz LLBLEXXKYHLWJS-UHFFFAOYSA-N 1 0 266.341 1.797 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000846168804 753571712 /nfs/dbraw/zinc/57/17/12/753571712.db2.gz LWDOOPQBNILJMP-GARJFASQSA-N 1 0 278.352 1.705 20 10 CDCDRO CC(C)([NH3+])CC(=O)NCCCSc1nccs1 ZINC000236845090 753636025 /nfs/dbraw/zinc/63/60/25/753636025.db2.gz FVMZHFBIWZGOCK-UHFFFAOYSA-N 1 0 273.427 1.869 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(O)c1 ZINC000935770977 753722799 /nfs/dbraw/zinc/72/27/99/753722799.db2.gz MYCLYFUSVZHLTP-AWEZNQCLSA-N 1 0 292.379 1.890 20 10 CDCDRO COCC1(O)CN(Cc2ccc3ccccc3c2O)C1 ZINC000839144576 753764155 /nfs/dbraw/zinc/76/41/55/753764155.db2.gz YFXAYGSDSHCRAG-UHFFFAOYSA-N 1 0 273.332 1.739 20 10 CDCDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)[C@@H]1CCOC1 ZINC000850342516 753813471 /nfs/dbraw/zinc/81/34/71/753813471.db2.gz MDBYMAHRNUQMGP-DOMZBBRYSA-N 1 0 265.353 1.842 20 10 CDCDRO COc1cccc(CN2CC[NH2+]C[C@H]2c2ccncc2)c1O ZINC000843120394 753813747 /nfs/dbraw/zinc/81/37/47/753813747.db2.gz IUWIDUXKCLWOOG-HNNXBMFYSA-N 1 0 299.374 1.942 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN3CC(F)C3)cc2)CC1 ZINC001140300004 895704626 /nfs/dbraw/zinc/70/46/26/895704626.db2.gz IKTIZTZYDJMANU-UHFFFAOYSA-N 1 0 277.387 1.982 20 10 CDCDRO CCn1cc(CNCc2cccc(OC)c2O)nn1 ZINC000404419873 897251834 /nfs/dbraw/zinc/25/18/34/897251834.db2.gz AZTVXIQQONDPNB-UHFFFAOYSA-N 1 0 262.313 1.302 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c1O ZINC001140742790 898163713 /nfs/dbraw/zinc/16/37/13/898163713.db2.gz ZAMQPUVICUSRDK-ZWNOBZJWSA-N 1 0 265.353 1.999 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c1O ZINC001140747979 898171293 /nfs/dbraw/zinc/17/12/93/898171293.db2.gz QCIUVSJABWXHLE-GXTWGEPZSA-N 1 0 276.380 1.932 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c(O)c1 ZINC001140947884 898959062 /nfs/dbraw/zinc/95/90/62/898959062.db2.gz JIWVDISIEVXYKI-UHFFFAOYSA-N 1 0 290.363 1.182 20 10 CDCDRO COc1cc(O)c(CN2CCC[NH2+]CC2)c(OC)c1 ZINC001204667139 901100205 /nfs/dbraw/zinc/10/02/05/901100205.db2.gz FCMFMJPOJMFYTG-UHFFFAOYSA-N 1 0 266.341 1.205 20 10 CDCDRO CC(C)(C[NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236616308 901972380 /nfs/dbraw/zinc/97/23/80/901972380.db2.gz VWYQNFGAQUMRSD-UHFFFAOYSA-N 1 0 291.395 1.124 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCN2C)c1 ZINC000237048824 902610511 /nfs/dbraw/zinc/61/05/11/902610511.db2.gz LFXMGXJHVVVFLL-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)cc2O)C1=O ZINC001272988376 921306957 /nfs/dbraw/zinc/30/69/57/921306957.db2.gz QDJAQCFMYHUECX-OAHLLOKOSA-N 1 0 276.336 1.295 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(F)ccc1O ZINC000697579645 908786275 /nfs/dbraw/zinc/78/62/75/908786275.db2.gz HGDDKYOEGOTNFJ-RKDXNWHRSA-N 1 0 275.345 1.615 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CC)C(=O)NC)c1O ZINC000697908453 909570636 /nfs/dbraw/zinc/57/06/36/909570636.db2.gz JOKJFSNMYPGLLZ-NSHDSACASA-N 1 0 266.341 1.405 20 10 CDCDRO COC(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037252088 910632391 /nfs/dbraw/zinc/63/23/91/910632391.db2.gz GJGDCICTKHUOGE-LLVKDONJSA-N 1 0 250.342 1.966 20 10 CDCDRO CCN1CC[C@H]([NH2+]Cc2cccc(C)c2O)CC1=O ZINC001172032760 911150295 /nfs/dbraw/zinc/15/02/95/911150295.db2.gz RMSCHELZPFVBKR-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO O=C1CC[C@@H]2C[C@@H]([NH2+]Cc3ccc(O)c(O)c3)CCN12 ZINC001172158403 911390841 /nfs/dbraw/zinc/39/08/41/911390841.db2.gz VBRFETIQLIUOLZ-NWDGAFQWSA-N 1 0 276.336 1.341 20 10 CDCDRO CO[C@H]1CCC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001172918903 912058981 /nfs/dbraw/zinc/05/89/81/912058981.db2.gz MCBDWTSRMZJDBT-RYUDHWBXSA-N 1 0 279.336 1.828 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccccc1O)C1CCCC1 ZINC001180630332 916527661 /nfs/dbraw/zinc/52/76/61/916527661.db2.gz OBABNDGRWVYQLY-UHFFFAOYSA-N 1 0 262.353 1.883 20 10 CDCDRO CCOc1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206447820 916998334 /nfs/dbraw/zinc/99/83/34/916998334.db2.gz YVZWUWJPYXXKNN-NWDGAFQWSA-N 1 0 268.332 1.662 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1F ZINC000831018893 936487865 /nfs/dbraw/zinc/48/78/65/936487865.db2.gz TXODZZMUUZGZKY-HNNXBMFYSA-N 1 0 294.374 1.443 20 10 CDCDRO Cc1c(CN2CCNC(=O)C2)c2ccccc2n1C ZINC001138252530 936501401 /nfs/dbraw/zinc/50/14/01/936501401.db2.gz KDACUDZGAUQOOO-UHFFFAOYSA-N 1 0 257.337 1.419 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)ccc21 ZINC001138354820 936525307 /nfs/dbraw/zinc/52/53/07/936525307.db2.gz WDMJZEMKKQOSBP-DOTOQJQBSA-N 1 0 290.407 1.244 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)CO)c(OC)c1 ZINC001138385899 936528809 /nfs/dbraw/zinc/52/88/09/936528809.db2.gz CMKKUPOCDGGNHN-OAHLLOKOSA-N 1 0 296.411 1.326 20 10 CDCDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000386890290 919053329 /nfs/dbraw/zinc/05/33/29/919053329.db2.gz DVUNZYNFJAMZQA-INIZCTEOSA-N 1 0 294.395 1.010 20 10 CDCDRO CCc1cccc(C[N@H+](C)C2(CO)CCOCC2)c1O ZINC000827907512 936613548 /nfs/dbraw/zinc/61/35/48/936613548.db2.gz AMSXFIVJFDIOMW-UHFFFAOYSA-N 1 0 279.380 1.928 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)cc1 ZINC001272916467 920031151 /nfs/dbraw/zinc/03/11/51/920031151.db2.gz IXGCUEWKPWPRRX-QGZVFWFLSA-N 1 0 287.407 1.949 20 10 CDCDRO CCC(=O)NC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203675035 920825200 /nfs/dbraw/zinc/82/52/00/920825200.db2.gz IRBLWIWGFTVCFF-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001140178644 936684398 /nfs/dbraw/zinc/68/43/98/936684398.db2.gz SBIRBYNKBYUATR-GXTWGEPZSA-N 1 0 265.353 1.184 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140178145 936684442 /nfs/dbraw/zinc/68/44/42/936684442.db2.gz ANVIQDCYZZGICC-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO C[C@@]1(CO)C[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1O ZINC001140463207 936712205 /nfs/dbraw/zinc/71/22/05/936712205.db2.gz VXGYURXYUNUCLN-KGLIPLIRSA-N 1 0 285.771 1.611 20 10 CDCDRO Cc1c(O)ccc(CN2CC[C@H](S(C)(=O)=O)C2)c1O ZINC001140745608 936748781 /nfs/dbraw/zinc/74/87/81/936748781.db2.gz MNGJXJZUZLAQCZ-NSHDSACASA-N 1 0 285.365 1.025 20 10 CDCDRO COCCC[NH+]1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140748777 936749621 /nfs/dbraw/zinc/74/96/21/936749621.db2.gz JTSHJDNPYGPLPM-UHFFFAOYSA-N 1 0 294.395 1.560 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c1O ZINC001140748004 936749804 /nfs/dbraw/zinc/74/98/04/936749804.db2.gz QQNBWILTMGYKFB-UHFFFAOYSA-N 1 0 291.351 1.054 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+]3CCC2CC3)c(OC)c1 ZINC001141029039 936794880 /nfs/dbraw/zinc/79/48/80/936794880.db2.gz IKTWWNHZMLVMDT-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](CO)C3)ccc21 ZINC001141142760 936819314 /nfs/dbraw/zinc/81/93/14/936819314.db2.gz ADYRYHAAYCCZIB-CYBMUJFWSA-N 1 0 262.353 1.329 20 10 CDCDRO COC(C[N@H+](C)Cc1ccc2c(c1)OCCN2C)OC ZINC001141143510 936819503 /nfs/dbraw/zinc/81/95/03/936819503.db2.gz BRDOWVFLBCYTMW-UHFFFAOYSA-N 1 0 280.368 1.566 20 10 CDCDRO COC(=O)[C@@H]1CCCCN1Cc1cc(O)ccc1O ZINC001141156528 936821477 /nfs/dbraw/zinc/82/14/77/936821477.db2.gz MNWUAEOTHUULRR-LBPRGKRZSA-N 1 0 265.309 1.625 20 10 CDCDRO C[C@]1(O)CCCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156859 936821612 /nfs/dbraw/zinc/82/16/12/936821612.db2.gz VQKSWAZHOIAZPS-AWEZNQCLSA-N 1 0 251.326 1.835 20 10 CDCDRO COC(=O)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141157618 936822409 /nfs/dbraw/zinc/82/24/09/936822409.db2.gz KETVJWNZHNOKBD-UHFFFAOYSA-N 1 0 265.309 1.483 20 10 CDCDRO CC[NH+]1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139195 936818752 /nfs/dbraw/zinc/81/87/52/936818752.db2.gz MPZYTMWAEZXCQT-UHFFFAOYSA-N 1 0 275.396 1.653 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N2CC[C@H]([NH3+])C2)cc1F ZINC001164281611 924750380 /nfs/dbraw/zinc/75/03/80/924750380.db2.gz IMBBRZHBTYEROK-ZETCQYMHSA-N 1 0 255.249 1.280 20 10 CDCDRO CCCC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001252112521 926686456 /nfs/dbraw/zinc/68/64/56/926686456.db2.gz POAPECCYWNXRSO-NSHDSACASA-N 1 0 269.341 1.487 20 10 CDCDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC(=O)c1ccc(O)c(O)c1)C2 ZINC001169108042 927757305 /nfs/dbraw/zinc/75/73/05/927757305.db2.gz NDNBJSRZAANSGD-XYYAHUGASA-N 1 0 290.363 1.495 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@]2(CO)CCOC2)c1O ZINC000862427383 929414791 /nfs/dbraw/zinc/41/47/91/929414791.db2.gz XDYRPSSRWKWBPU-AWEZNQCLSA-N 1 0 251.326 1.284 20 10 CDCDRO CC[C@@](C)([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272489 929804728 /nfs/dbraw/zinc/80/47/28/929804728.db2.gz XODQYLXULZMCEM-OAHLLOKOSA-N 1 0 273.384 1.976 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825253204 931497701 /nfs/dbraw/zinc/49/77/01/931497701.db2.gz DZCAGWBBCWSUEE-ZDUSSCGKSA-N 1 0 273.760 1.841 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H](CC)C(=O)NC)ccc1OC ZINC000825315429 931500454 /nfs/dbraw/zinc/50/04/54/931500454.db2.gz AGWXEEMYRXQQJW-AWEZNQCLSA-N 1 0 294.395 1.846 20 10 CDCDRO CN1CCOc2cc(CN3CC[C@H]4[C@@H]3CC[N@@H+]4C)ccc21 ZINC001275419823 931783079 /nfs/dbraw/zinc/78/30/79/931783079.db2.gz PYKOSHXBPNWUTN-GJZGRUSLSA-N 1 0 287.407 1.794 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCCO1 ZINC001144500503 931859668 /nfs/dbraw/zinc/85/96/68/931859668.db2.gz VBHLFXVAWHPXPO-VIFPVBQESA-N 1 0 253.298 1.414 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](CF)C2)c(O)c1 ZINC001144509361 931875224 /nfs/dbraw/zinc/87/52/24/931875224.db2.gz USKMWNFVERVWLC-VIFPVBQESA-N 1 0 255.289 1.985 20 10 CDCDRO COC(=O)C1(C)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509352 931876116 /nfs/dbraw/zinc/87/61/16/931876116.db2.gz UJRUGTNKYWBTFW-UHFFFAOYSA-N 1 0 295.335 1.579 20 10 CDCDRO CN(CC[NH+]1CCCC1)Cc1c(O)cc(O)cc1O ZINC001144514519 931877401 /nfs/dbraw/zinc/87/74/01/931877401.db2.gz IXGOAYPHEHYIKA-UHFFFAOYSA-N 1 0 266.341 1.331 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC001144515744 931881373 /nfs/dbraw/zinc/88/13/73/931881373.db2.gz XAPSYVMBZXLWDK-LBPRGKRZSA-N 1 0 265.309 1.414 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c1O ZINC000846162989 931984362 /nfs/dbraw/zinc/98/43/62/931984362.db2.gz KARWPGFXNLXRIR-BXUZGUMPSA-N 1 0 295.379 1.839 20 10 CDCDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(O)c(O)c(O)c1 ZINC001148584854 932752772 /nfs/dbraw/zinc/75/27/72/932752772.db2.gz YDDKUEFRNPPMNR-UHFFFAOYSA-N 1 0 294.351 1.217 20 10 CDCDRO CC(C)N(C(=O)c1cc(O)c(O)c(O)c1)C(C)(C)C[NH3+] ZINC001148590360 932754314 /nfs/dbraw/zinc/75/43/14/932754314.db2.gz IMVGBFNBACQBGK-UHFFFAOYSA-N 1 0 282.340 1.391 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC001118866562 937673638 /nfs/dbraw/zinc/67/36/38/937673638.db2.gz ZKTYLNVPKDJFLH-RDBSUJKOSA-N 1 0 290.407 1.905 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000692128381 934548295 /nfs/dbraw/zinc/54/82/95/934548295.db2.gz BVLBHFKQMMWSHX-OAHLLOKOSA-N 1 0 262.353 1.652 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)C(=O)OC(C)(C)C)c1ccccc1O ZINC001253704794 935854456 /nfs/dbraw/zinc/85/44/56/935854456.db2.gz VILRGGQMIQAYGU-ZWNOBZJWSA-N 1 0 281.352 1.745 20 10 CDCDRO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)Cc1ccc(N)cc1 ZINC001157848709 938554993 /nfs/dbraw/zinc/55/49/93/938554993.db2.gz PFHJVSJBPBOBBE-DGCLKSJQSA-N 1 0 261.369 1.397 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c1 ZINC001206668889 938713945 /nfs/dbraw/zinc/71/39/45/938713945.db2.gz WPKWEAGOPOYBIZ-LBPRGKRZSA-N 1 0 256.296 1.869 20 10 CDCDRO CC(C)N(CCC[NH3+])c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC001164123106 939413804 /nfs/dbraw/zinc/41/38/04/939413804.db2.gz ZZAXXCBDXMFHKX-NSHDSACASA-N 1 0 277.368 1.970 20 10 CDCDRO COc1cc(OC)c(N2CC[C@H]([NH3+])C2)cc1C1OCCO1 ZINC001164281404 939445594 /nfs/dbraw/zinc/44/55/94/939445594.db2.gz BDOJLGVGLBDUGG-JTQLQIEISA-N 1 0 294.351 1.287 20 10 CDCDRO COc1cccc(C[NH+]2CC3(C2)CCN(C(C)=O)C3)c1O ZINC001203593188 939694918 /nfs/dbraw/zinc/69/49/18/939694918.db2.gz KNLLGEQECDHEEW-UHFFFAOYSA-N 1 0 290.363 1.455 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c1O ZINC001203597093 939695576 /nfs/dbraw/zinc/69/55/76/939695576.db2.gz UUNOMZRSEPXUAV-PWSUYJOCSA-N 1 0 251.326 1.746 20 10 CDCDRO COc1cccc(C[N@H+](C)Cc2cncnc2)c1O ZINC001203601854 939695671 /nfs/dbraw/zinc/69/56/71/939695671.db2.gz NUAARTAZUKQVEV-UHFFFAOYSA-N 1 0 259.309 1.823 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(O)c1 ZINC001203620390 939696809 /nfs/dbraw/zinc/69/68/09/939696809.db2.gz DACGIIDMBHSCFC-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC001203627534 939698023 /nfs/dbraw/zinc/69/80/23/939698023.db2.gz HTSWWUSBPCJJSR-GFCCVEGCSA-N 1 0 279.336 1.786 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC001203937143 939715075 /nfs/dbraw/zinc/71/50/75/939715075.db2.gz MRFLBCCDLDAWDG-ZDUSSCGKSA-N 1 0 275.396 1.805 20 10 CDCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(OC)c1 ZINC001204343458 939757526 /nfs/dbraw/zinc/75/75/26/939757526.db2.gz QWOPTIRSBHBIKA-NSHDSACASA-N 1 0 267.325 1.717 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204344752 939758723 /nfs/dbraw/zinc/75/87/23/939758723.db2.gz YERGSDZOTJXWRS-SNVBAGLBSA-N 1 0 281.308 1.101 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001205363725 939885907 /nfs/dbraw/zinc/88/59/07/939885907.db2.gz QMIFDAXBJPIYEN-HZPDHXFCSA-N 1 0 284.359 1.563 20 10 CDCDRO CC(C)Cn1ccc(-c2cnn(CC[NH+](C)C)c2)cc1=O ZINC001206367368 940027339 /nfs/dbraw/zinc/02/73/39/940027339.db2.gz FFEAPBMKCCPFIG-UHFFFAOYSA-N 1 0 288.395 1.929 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)c(O)cc1O ZINC001276516815 940167229 /nfs/dbraw/zinc/16/72/29/940167229.db2.gz QRCWLNPHGSDYDC-YOGCLGLASA-N 1 0 278.352 1.518 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)C2)c1 ZINC000311083440 941318222 /nfs/dbraw/zinc/31/82/22/941318222.db2.gz GNIIAMFZRFJWKP-LBPRGKRZSA-N 1 0 250.342 1.537 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000316614709 941490284 /nfs/dbraw/zinc/49/02/84/941490284.db2.gz RCBCYYZJBPKNOF-GFCCVEGCSA-N 1 0 251.326 1.651 20 10 CDCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222095347 941563680 /nfs/dbraw/zinc/56/36/80/941563680.db2.gz PMODVMYFALRTSY-UHFFFAOYSA-N 1 0 297.349 1.198 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(O)c(O)c(O)c1 ZINC001276830367 941598211 /nfs/dbraw/zinc/59/82/11/941598211.db2.gz KWPCSOCVCIJVMR-QWRGUYRKSA-N 1 0 264.325 1.082 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001231586122 942935852 /nfs/dbraw/zinc/93/58/52/942935852.db2.gz AMKDBJSCUFUPOD-CZUORRHYSA-N 1 0 287.359 1.721 20 10 CDCDRO COc1cc(C[N@H+]2CCC[C@H](OC)C2)c(O)cc1O ZINC001231634117 942949174 /nfs/dbraw/zinc/94/91/74/942949174.db2.gz IIJAGKAESHUMPM-NSHDSACASA-N 1 0 267.325 1.717 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c(O)c1 ZINC001277566890 943017814 /nfs/dbraw/zinc/01/78/14/943017814.db2.gz DALBTPKUFCBXBX-FDRIWYBQSA-N 1 0 274.364 1.690 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)cc1Cl ZINC001231868788 943034772 /nfs/dbraw/zinc/03/47/72/943034772.db2.gz YRURAAXXANAVOA-CABCVRRESA-N 1 0 299.798 1.919 20 10 CDCDRO C[NH+](C)C1CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261235 943192711 /nfs/dbraw/zinc/19/27/11/943192711.db2.gz XIZLSMJUMHBHIW-UHFFFAOYSA-N 1 0 256.733 1.497 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)Cc2cnn(C)c2)c(O)c1 ZINC001232835094 943412603 /nfs/dbraw/zinc/41/26/03/943412603.db2.gz VQPGOELLFDBXRC-UHFFFAOYSA-N 1 0 274.368 1.824 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232835194 943412816 /nfs/dbraw/zinc/41/28/16/943412816.db2.gz ZFERWMQOCNDEDA-CYBMUJFWSA-N 1 0 292.379 1.843 20 10 CDCDRO Oc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc(O)c1O ZINC001233012700 943461795 /nfs/dbraw/zinc/46/17/95/943461795.db2.gz IFUVWFTYXLVPJQ-CQSZACIVSA-N 1 0 265.309 1.416 20 10 CDCDRO Oc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc(O)c1O ZINC001233011709 943462470 /nfs/dbraw/zinc/46/24/70/943462470.db2.gz FPXQFZZVYAXTRM-LLVKDONJSA-N 1 0 264.325 1.083 20 10 CDCDRO Oc1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc(O)c1O ZINC001233013973 943462876 /nfs/dbraw/zinc/46/28/76/943462876.db2.gz VUNRGZMRQRHTRO-LBPRGKRZSA-N 1 0 278.352 1.474 20 10 CDCDRO Oc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc(O)c1O ZINC001233015880 943464841 /nfs/dbraw/zinc/46/48/41/943464841.db2.gz CLPSNAUGUDXILK-QWRGUYRKSA-N 1 0 265.309 1.272 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]12 ZINC001233017637 943465524 /nfs/dbraw/zinc/46/55/24/943465524.db2.gz IWGMNJCQDFBURR-WDEREUQCSA-N 1 0 277.320 1.604 20 10 CDCDRO CCN(CC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233482582 943591596 /nfs/dbraw/zinc/59/15/96/943591596.db2.gz TXLPAMOKAPDGDM-UHFFFAOYSA-N 1 0 254.330 1.187 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCCC[C@H](O)C2)cc1O ZINC001233483151 943593117 /nfs/dbraw/zinc/59/31/17/943593117.db2.gz PFAFBWOZYIEPQH-JTQLQIEISA-N 1 0 253.298 1.150 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487385 943595516 /nfs/dbraw/zinc/59/55/16/943595516.db2.gz BHCQTFLZUMIAAZ-CQSZACIVSA-N 1 0 281.308 1.188 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001236027766 944382585 /nfs/dbraw/zinc/38/25/85/944382585.db2.gz ONTLEMHWVRVNGQ-ZYHUDNBSSA-N 1 0 272.270 1.944 20 10 CDCDRO COC(=O)[C@@H]1CN(Cc2ccc(C(C)C)cc2O)C[C@H]1[NH3+] ZINC001236347117 944479104 /nfs/dbraw/zinc/47/91/04/944479104.db2.gz AGIDYXIPSHQYPG-ZIAGYGMSSA-N 1 0 292.379 1.448 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001236783606 944565894 /nfs/dbraw/zinc/56/58/94/944565894.db2.gz MXYQMFQNCOAVAR-HZPDHXFCSA-N 1 0 279.380 1.520 20 10 CDCDRO COc1cc(C)c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(O)c1 ZINC001236808584 944575087 /nfs/dbraw/zinc/57/50/87/944575087.db2.gz QPLPRENNKRIUFR-GFCCVEGCSA-N 1 0 297.395 1.663 20 10 CDCDRO COc1cc(C)c(C[N@H+](C)CCC2OCCO2)c(O)c1 ZINC001236810786 944575383 /nfs/dbraw/zinc/57/53/83/944575383.db2.gz JDPOEAPJEWZFSJ-UHFFFAOYSA-N 1 0 281.352 1.904 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001236808566 944576124 /nfs/dbraw/zinc/57/61/24/944576124.db2.gz PUWLAGHKNRAKSH-JSGCOSHPSA-N 1 0 269.316 1.614 20 10 CDCDRO COc1cc(C)c(C[NH+]2CCN(C3CC3)CC2)c(O)c1 ZINC001236819544 944580870 /nfs/dbraw/zinc/58/08/70/944580870.db2.gz WJBLYWAQFSRTGG-UHFFFAOYSA-N 1 0 276.380 1.989 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)cc1F ZINC001236869162 944598808 /nfs/dbraw/zinc/59/88/08/944598808.db2.gz URKOGPXMWZQXRF-AWEZNQCLSA-N 1 0 295.402 1.831 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001237488017 944814886 /nfs/dbraw/zinc/81/48/86/944814886.db2.gz PDIAMNONMOTOIP-UHFFFAOYSA-N 1 0 287.319 1.460 20 10 CDCDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)C2)c(O)c(OC)c1 ZINC001237676133 944919536 /nfs/dbraw/zinc/91/95/36/944919536.db2.gz JFZQALTUGITDAR-GFCCVEGCSA-N 1 0 280.368 1.545 20 10 CDCDRO Oc1ccc(C[NH2+][C@H]2CC3CCN(CC3)C2)c(O)c1 ZINC001254840627 947619340 /nfs/dbraw/zinc/61/93/40/947619340.db2.gz KXUNJVDHMSXNGM-ZDUSSCGKSA-N 1 0 262.353 1.672 20 10 CDCDRO CC1(C)C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCO1 ZINC001255528323 947966516 /nfs/dbraw/zinc/96/65/16/947966516.db2.gz KUMZIOCKEFNOII-NSHDSACASA-N 1 0 279.336 1.828 20 10 CDCDRO CC[NH+](CC)CC[C@H](C)NCC(=O)c1ccc(O)c(O)c1 ZINC001255949487 948134972 /nfs/dbraw/zinc/13/49/72/948134972.db2.gz XCWFAYPYLRKKPT-LBPRGKRZSA-N 1 0 294.395 1.991 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)CN1 ZINC001246862556 948487050 /nfs/dbraw/zinc/48/70/50/948487050.db2.gz LFLJVWCAJRCRJA-OLZOCXBDSA-N 1 0 278.352 1.118 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+]2CCC[C@H](OC)C2)c(O)c1 ZINC001249173206 949444483 /nfs/dbraw/zinc/44/44/83/949444483.db2.gz RWMHNXNGIMCSKK-AWEZNQCLSA-N 1 0 293.363 1.719 20 10 CDCDRO COc1cccc([C@@H](O)C[NH2+]Cc2ccc(O)c(O)c2)c1 ZINC001250740060 950339052 /nfs/dbraw/zinc/33/90/52/950339052.db2.gz OXJIRLPRONKUNE-INIZCTEOSA-N 1 0 289.331 1.930 20 10 CDCDRO CCCCOC[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001252529407 951412139 /nfs/dbraw/zinc/41/21/39/951412139.db2.gz GVBBDCIZFBHHEL-ZDUSSCGKSA-N 1 0 269.341 1.365 20 10 CDCDRO CCCCOC[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001252533255 951419250 /nfs/dbraw/zinc/41/92/50/951419250.db2.gz WHAMNZCKEDPEFP-GFCCVEGCSA-N 1 0 269.341 1.365 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCCCC[NH3+])cc1F ZINC001326115913 954222482 /nfs/dbraw/zinc/22/24/82/954222482.db2.gz MRXSLBUYFZVCHE-UHFFFAOYSA-N 1 0 282.363 1.430 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]([NH3+])C2CCCCC2)c(O)c1 ZINC001326339071 954330757 /nfs/dbraw/zinc/33/07/57/954330757.db2.gz IUYFUPNRRVRCCZ-OAHLLOKOSA-N 1 0 292.379 1.925 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1ccccc1O ZINC001308010448 956457451 /nfs/dbraw/zinc/45/74/51/956457451.db2.gz OTACYAMIVVSDGP-SNVBAGLBSA-N 1 0 284.319 1.579 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)C(C)C)c(O)c1OC ZINC001334186917 958918804 /nfs/dbraw/zinc/91/88/04/958918804.db2.gz KESFQSMCAOBADI-LLVKDONJSA-N 1 0 269.341 1.516 20 10 CDCDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323759463 960955202 /nfs/dbraw/zinc/95/52/02/960955202.db2.gz IVHFCERZJPDBJB-OAHLLOKOSA-N 1 0 287.407 1.984 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001338793759 961998360 /nfs/dbraw/zinc/99/83/60/961998360.db2.gz UVOUVBWIVOCEDP-ZYHUDNBSSA-N 1 0 262.357 1.148 20 10 CDCDRO O=C(NCc1c(O)cccc1F)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC001342614658 963779671 /nfs/dbraw/zinc/77/96/71/963779671.db2.gz VTDWLIGOHLJUON-NWDGAFQWSA-N 1 0 292.354 1.783 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(N(C)C)cc1C ZINC001348492954 966021315 /nfs/dbraw/zinc/02/13/15/966021315.db2.gz NDGNBHHHPWZWEO-LSDHHAIUSA-N 1 0 292.379 1.169 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@H]2F)cc1 ZINC001521145495 970264271 /nfs/dbraw/zinc/26/42/71/970264271.db2.gz VZGIOQITWUPVAG-YNEHKIRRSA-N 1 0 265.332 1.227 20 10 CDCDRO COC(=O)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465889 345242422 /nfs/dbraw/zinc/24/24/22/345242422.db2.gz KSRLZDUTIOTJNE-UHFFFAOYSA-N 1 0 292.379 1.770 20 10 CDCDRO Cn1cc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000112017369 365853371 /nfs/dbraw/zinc/85/33/71/365853371.db2.gz HAXPDTJOBSDALX-UHFFFAOYSA-N 1 0 275.308 1.187 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCOCC2)cc1 ZINC000112716999 366126056 /nfs/dbraw/zinc/12/60/56/366126056.db2.gz JAJBQWZNFLTCAT-UHFFFAOYSA-N 1 0 264.369 1.384 20 10 CDCDRO C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C[NH+](C)C ZINC000293714987 198743099 /nfs/dbraw/zinc/74/30/99/198743099.db2.gz JJWRQOIQPWFJPM-ZRQQLDRUSA-N 1 0 278.352 1.425 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCOC1)OCO2 ZINC000042880191 357082997 /nfs/dbraw/zinc/08/29/97/357082997.db2.gz GSAJQPUVODTGHB-SECBINFHSA-N 1 0 251.282 1.247 20 10 CDCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(O)c1O ZINC000185725214 357570507 /nfs/dbraw/zinc/57/05/07/357570507.db2.gz GRWVFUZJAZXPKX-PWSUYJOCSA-N 1 0 278.352 1.510 20 10 CDCDRO COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(C)ccc1O ZINC000188789046 357937463 /nfs/dbraw/zinc/93/74/63/357937463.db2.gz GICGTMUPZKBUHE-ZIAGYGMSSA-N 1 0 279.336 1.199 20 10 CDCDRO CC(C)C[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880393 358983689 /nfs/dbraw/zinc/98/36/89/358983689.db2.gz QBOROEOTEKLUMR-LLVKDONJSA-N 1 0 267.325 1.618 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O ZINC000093103148 360290304 /nfs/dbraw/zinc/29/03/04/360290304.db2.gz UOECOFYSRYGQQA-MNOVXSKESA-N 1 0 285.727 1.154 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000237292569 361450893 /nfs/dbraw/zinc/45/08/93/361450893.db2.gz XREIXLVBRHKSDR-NSHDSACASA-N 1 0 277.368 1.334 20 10 CDCDRO CC(C)[C@H](C(=O)NCc1ccccc1O)[NH+](C)C ZINC000269153186 364147580 /nfs/dbraw/zinc/14/75/80/364147580.db2.gz QYWVYITXJUJGTR-CYBMUJFWSA-N 1 0 250.342 1.595 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(CCC(N)=O)CC2)c1 ZINC000271798825 364999318 /nfs/dbraw/zinc/99/93/18/364999318.db2.gz KKTZKIPJXCJSQU-UHFFFAOYSA-N 1 0 292.379 1.878 20 10 CDCDRO Cc1cccc(CN2CCC([N@H+](C)CCCO)CC2)c1O ZINC000271757407 364996348 /nfs/dbraw/zinc/99/63/48/364996348.db2.gz CYZGNKLFZQCXBV-UHFFFAOYSA-N 1 0 292.423 1.979 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273367509 365490287 /nfs/dbraw/zinc/49/02/87/365490287.db2.gz BRVJGBOZMIMSSV-SMDDNHRTSA-N 1 0 279.380 1.929 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000280427339 367388313 /nfs/dbraw/zinc/38/83/13/367388313.db2.gz ZXKLBPQYOIJJHP-LSDHHAIUSA-N 1 0 278.396 1.487 20 10 CDCDRO CCCC[N@H+](CC(=O)NC)Cc1ccccc1O ZINC000282497123 367914064 /nfs/dbraw/zinc/91/40/64/367914064.db2.gz QLAFZEORHUUXEM-UHFFFAOYSA-N 1 0 250.342 1.740 20 10 CDCDRO Cc1cccc(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000284291075 368510131 /nfs/dbraw/zinc/51/01/31/368510131.db2.gz IBTIXNSQSSRBEB-KBPBESRZSA-N 1 0 278.396 1.588 20 10 CDCDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000266603638 370914665 /nfs/dbraw/zinc/91/46/65/370914665.db2.gz FNUNQABFCZJLJW-AWEZNQCLSA-N 1 0 267.325 1.882 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@H](C)CO)CC2)cc1 ZINC000129337298 375189247 /nfs/dbraw/zinc/18/92/47/375189247.db2.gz CXYHUSJZUVYDJU-GFCCVEGCSA-N 1 0 264.369 1.634 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000296086463 378716842 /nfs/dbraw/zinc/71/68/42/378716842.db2.gz XTEZOOGQUGRLKM-WQGWLQIFSA-N 1 0 259.252 1.081 20 10 CDCDRO Oc1cc(F)c(F)cc1CN[C@H]1C[NH2+]CC12CC2 ZINC001580888489 1172565080 /nfs/dbraw/zinc/56/50/80/1172565080.db2.gz MODGXTJUJRJYJN-LBPRGKRZSA-N 1 0 254.280 1.512 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cc(C)ccc1O ZINC000133287689 390935786 /nfs/dbraw/zinc/93/57/86/390935786.db2.gz AKZHEWOSGWNOSD-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000121476705 390887131 /nfs/dbraw/zinc/88/71/31/390887131.db2.gz WXVKUGMLWGFQGI-UHFFFAOYSA-N 1 0 286.379 1.828 20 10 CDCDRO Oc1ccc(F)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373468296 391120359 /nfs/dbraw/zinc/12/03/59/391120359.db2.gz UXNSLGIAMBHSHE-JTQLQIEISA-N 1 0 251.301 2.000 20 10 CDCDRO CCS(=O)(=O)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000113329288 391158309 /nfs/dbraw/zinc/15/83/09/391158309.db2.gz CFXOIPMNDFJGIH-UHFFFAOYSA-N 1 0 292.788 1.075 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179579444 391213287 /nfs/dbraw/zinc/21/32/87/391213287.db2.gz YLJGYEKYZFIUNF-HNNXBMFYSA-N 1 0 295.379 1.764 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649347600 392083239 /nfs/dbraw/zinc/08/32/39/392083239.db2.gz HOIPBTAWZRIZOF-AWEZNQCLSA-N 1 0 289.379 1.476 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089459562 260236911 /nfs/dbraw/zinc/23/69/11/260236911.db2.gz DQHZNMBMKUFFKJ-UKRRQHHQSA-N 1 0 275.396 1.744 20 10 CDCDRO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000178674873 261755664 /nfs/dbraw/zinc/75/56/64/261755664.db2.gz VBJWIWYGCUTZNF-LLVKDONJSA-N 1 0 286.379 1.956 20 10 CDCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000187152981 262126739 /nfs/dbraw/zinc/12/67/39/262126739.db2.gz PSZFGKDUEBBWLA-NSHDSACASA-N 1 0 278.352 1.512 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000279793481 423786632 /nfs/dbraw/zinc/78/66/32/423786632.db2.gz VGTDORZNFKVMLD-MRXNPFEDSA-N 1 0 287.407 1.996 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000368881920 267210224 /nfs/dbraw/zinc/21/02/24/267210224.db2.gz JJEWUXGRCMHFPS-NEPJUHHUSA-N 1 0 269.316 1.696 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000077458046 326923560 /nfs/dbraw/zinc/92/35/60/326923560.db2.gz QLPZILQWGLVOHX-QWHCGFSZSA-N 1 0 283.393 1.838 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)NC)c(O)c1 ZINC000093899432 327146172 /nfs/dbraw/zinc/14/61/72/327146172.db2.gz HKWCZOQQQBGLGL-LBPRGKRZSA-N 1 0 294.395 1.995 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377698880 329025628 /nfs/dbraw/zinc/02/56/28/329025628.db2.gz MXCOFCSOJJRKHZ-DZGCQCFKSA-N 1 0 263.337 1.772 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000262591133 330022347 /nfs/dbraw/zinc/02/23/47/330022347.db2.gz CKPCBRPJCOAPBY-HNNXBMFYSA-N 1 0 275.396 1.835 20 10 CDCDRO CCCOc1ccc(C[NH2+]C2(CO)CCOCC2)c(O)c1 ZINC000265221573 520363743 /nfs/dbraw/zinc/36/37/43/520363743.db2.gz HEDIVGPYHGADEM-UHFFFAOYSA-N 1 0 295.379 1.812 20 10 CDCDRO CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278281709 521688604 /nfs/dbraw/zinc/68/86/04/521688604.db2.gz TUZWVZWWXOIMSK-UHFFFAOYSA-N 1 0 295.339 1.447 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)C2CC2)cc1OC ZINC000289536276 522782680 /nfs/dbraw/zinc/78/26/80/522782680.db2.gz WMMXUCQTHIEGOR-GFCCVEGCSA-N 1 0 267.325 1.270 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H](O)COC)c1ccc(C)cc1O ZINC000280245557 522850253 /nfs/dbraw/zinc/85/02/53/522850253.db2.gz WGKSXEGTNDHLDC-DGCLKSJQSA-N 1 0 253.342 1.749 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C12CCC[NH+]1CCC2 ZINC000278826287 523379217 /nfs/dbraw/zinc/37/92/17/523379217.db2.gz JJIKZFQUPGZANB-UHFFFAOYSA-N 1 0 274.364 1.979 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1cc(C)ccc1O ZINC000071409291 523605625 /nfs/dbraw/zinc/60/56/25/523605625.db2.gz XRUXFRGJJOYTMD-UHFFFAOYSA-N 1 0 252.358 1.368 20 10 CDCDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC000279891802 523990591 /nfs/dbraw/zinc/99/05/91/523990591.db2.gz SUOFWVGCOWUDMQ-CMPLNLGQSA-N 1 0 276.336 1.264 20 10 CDCDRO Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)c(C)n1-c1ccccn1 ZINC000237740229 524096452 /nfs/dbraw/zinc/09/64/52/524096452.db2.gz BOKJTUQUANTZNB-HNNXBMFYSA-N 1 0 298.390 1.956 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1O ZINC000228094840 525583652 /nfs/dbraw/zinc/58/36/52/525583652.db2.gz KLRHJCUOFNMSKH-TVQRCGJNSA-N 1 0 255.289 1.161 20 10 CDCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000725849693 574444763 /nfs/dbraw/zinc/44/47/63/574444763.db2.gz UZHYUDCHJPUCKE-SNVBAGLBSA-N 1 0 287.319 1.632 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000727644786 574592952 /nfs/dbraw/zinc/59/29/52/574592952.db2.gz RMBVUTSGOHCSQE-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000773740985 575837215 /nfs/dbraw/zinc/83/72/15/575837215.db2.gz RJELDMGOVZUGSP-DGCLKSJQSA-N 1 0 292.379 1.629 20 10 CDCDRO CC1(O)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768463442 576286954 /nfs/dbraw/zinc/28/69/54/576286954.db2.gz IYQJQRGLHQJQGP-ZDUSSCGKSA-N 1 0 279.336 1.165 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(OC)ccc2O)CCOC1 ZINC000768532291 576293522 /nfs/dbraw/zinc/29/35/22/576293522.db2.gz DTBZMWFOLZXJFP-HNNXBMFYSA-N 1 0 295.335 1.213 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC[C@@H](C)O)c(O)c1 ZINC000769450428 576355217 /nfs/dbraw/zinc/35/52/17/576355217.db2.gz CTTHXKVFXZGOSG-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@H]2COCCO2)ccc1OC ZINC000747855050 576887170 /nfs/dbraw/zinc/88/71/70/576887170.db2.gz YCWARGCLFGJZQQ-HNNXBMFYSA-N 1 0 295.379 1.737 20 10 CDCDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322742 576905633 /nfs/dbraw/zinc/90/56/33/576905633.db2.gz UHLYWQUPTKYMJU-MWLCHTKSSA-N 1 0 268.382 1.866 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000748460344 576913945 /nfs/dbraw/zinc/91/39/45/576913945.db2.gz OFGQDFFJSLKZPW-UONOGXRCSA-N 1 0 289.379 1.818 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(F)ccc1O ZINC000756511988 576993267 /nfs/dbraw/zinc/99/32/67/576993267.db2.gz UKFBWYLWHJMVCY-ZWNOBZJWSA-N 1 0 283.343 1.969 20 10 CDCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC1(CO)COC1 ZINC000757386201 577039495 /nfs/dbraw/zinc/03/94/95/577039495.db2.gz BKUWSJDPYXEAKO-UHFFFAOYSA-N 1 0 292.423 1.972 20 10 CDCDRO C[C@@H]1CCN(CC[NH2+]Cc2cc(F)ccc2O)C1 ZINC000779120221 617411135 /nfs/dbraw/zinc/41/11/35/617411135.db2.gz FEAWGJFENWYLPG-LLVKDONJSA-N 1 0 252.333 1.963 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000892156616 617512866 /nfs/dbraw/zinc/51/28/66/617512866.db2.gz PHEYQSYCEQLLSW-SKDRFNHKSA-N 1 0 299.321 1.750 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)c(O)c1OC ZINC000892668786 617574948 /nfs/dbraw/zinc/57/49/48/617574948.db2.gz MWGUPXZKHJCIOD-VIFPVBQESA-N 1 0 295.257 1.422 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCN(C3CC3)C1)OCO2 ZINC000044687868 617584185 /nfs/dbraw/zinc/58/41/85/617584185.db2.gz HJRDSXREHFUUMX-NSHDSACASA-N 1 0 276.336 1.447 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c(O)c1OC ZINC000893368076 617710817 /nfs/dbraw/zinc/71/08/17/617710817.db2.gz SARRVTUNXJTLMC-CMPLNLGQSA-N 1 0 279.336 1.436 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c(O)c1OC ZINC000893707119 617894123 /nfs/dbraw/zinc/89/41/23/617894123.db2.gz NNVXNFVDPVPCKL-VXGBXAGGSA-N 1 0 281.352 1.658 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1OC ZINC000840975455 617963923 /nfs/dbraw/zinc/96/39/23/617963923.db2.gz YLAVQDPOLFXONL-JTQLQIEISA-N 1 0 296.367 1.412 20 10 CDCDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1(F)F ZINC000894160078 618638832 /nfs/dbraw/zinc/63/88/32/618638832.db2.gz KGRBLKIKMFSIAW-QWHCGFSZSA-N 1 0 298.333 1.897 20 10 CDCDRO CC[C@](C)(O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894164116 618642138 /nfs/dbraw/zinc/64/21/38/618642138.db2.gz CUTXWLWIVPSALG-AWEZNQCLSA-N 1 0 253.342 1.960 20 10 CDCDRO Fc1cc(CN[C@@H]2CCC[NH2+]C2)ccc1N1CCOCC1 ZINC000841042275 618677838 /nfs/dbraw/zinc/67/78/38/618677838.db2.gz IITCECWHVKHCIE-CQSZACIVSA-N 1 0 293.386 1.504 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831779 618698457 /nfs/dbraw/zinc/69/84/57/618698457.db2.gz FBNQAUFGUHCQIT-LBPRGKRZSA-N 1 0 274.368 1.209 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCO[C@H](C)C2)c1O ZINC000894241813 618745995 /nfs/dbraw/zinc/74/59/95/618745995.db2.gz MBRDTHBKHFDJFI-CYBMUJFWSA-N 1 0 294.395 1.520 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000894314824 618760231 /nfs/dbraw/zinc/76/02/31/618760231.db2.gz KPJGECIAACLGHW-WCQYABFASA-N 1 0 265.353 1.960 20 10 CDCDRO COCC1([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894352463 618811787 /nfs/dbraw/zinc/81/17/87/618811787.db2.gz VIQHUSXPBKSQKX-UHFFFAOYSA-N 1 0 251.326 1.978 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000894453302 618894190 /nfs/dbraw/zinc/89/41/90/618894190.db2.gz OCNSUYCMGNAMMT-WLRWDXFRSA-N 1 0 285.409 1.908 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c1OC ZINC000894973800 619171056 /nfs/dbraw/zinc/17/10/56/619171056.db2.gz YVLAAMCUTZHTCD-GFCCVEGCSA-N 1 0 294.351 1.120 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1 ZINC000895316383 619546342 /nfs/dbraw/zinc/54/63/42/619546342.db2.gz IFFRDAJPIBPUEU-ZDUSSCGKSA-N 1 0 261.369 1.367 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1 ZINC000895332627 619571798 /nfs/dbraw/zinc/57/17/98/619571798.db2.gz XBXBMGRAIFLJQR-JSGCOSHPSA-N 1 0 251.326 1.018 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000895336824 619579742 /nfs/dbraw/zinc/57/97/42/619579742.db2.gz USGSELFNWYZQOA-SNVBAGLBSA-N 1 0 251.326 1.712 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1 ZINC000895746116 619821398 /nfs/dbraw/zinc/82/13/98/619821398.db2.gz BVZJCGYFPXSJPB-OCCSQVGLSA-N 1 0 281.352 1.420 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896383799 620080411 /nfs/dbraw/zinc/08/04/11/620080411.db2.gz FGUFMYDZWGGMJO-NSHDSACASA-N 1 0 279.336 1.596 20 10 CDCDRO CN(C)c1ccc([C@H](CN=c2nc[nH]n2C)[NH+](C)C)cc1 ZINC000897522015 620899503 /nfs/dbraw/zinc/89/95/03/620899503.db2.gz KODVSYTVSLLCSM-AWEZNQCLSA-N 1 0 288.399 1.018 20 10 CDCDRO CC(C)NC(=O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000035136022 621347666 /nfs/dbraw/zinc/34/76/66/621347666.db2.gz VBZTXFRAMFVHHI-UHFFFAOYSA-N 1 0 291.395 1.137 20 10 CDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(OC)c1O ZINC000898541100 621786412 /nfs/dbraw/zinc/78/64/12/621786412.db2.gz FOHJDIBEMVCKLL-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO CC(C)[C@H](C(=O)NCc1ccc(O)cc1O)[NH+](C)C ZINC000910950146 629114795 /nfs/dbraw/zinc/11/47/95/629114795.db2.gz DCYQIMRNWRSDRX-CYBMUJFWSA-N 1 0 266.341 1.300 20 10 CDCDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921604663 633098236 /nfs/dbraw/zinc/09/82/36/633098236.db2.gz UXKBKESTJFRFIF-UHFFFAOYSA-N 1 0 298.408 1.041 20 10 CDCDRO CNc1ccccc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170281636 1162330797 /nfs/dbraw/zinc/33/07/97/1162330797.db2.gz GRQOVCYFFXJDBE-KFWWJZLASA-N 1 0 279.384 1.865 20 10 CDCDRO O=C(CNc1ccc2c(c1)C[NH2+]C2)c1ccc(O)c(O)c1 ZINC001170315194 1162334959 /nfs/dbraw/zinc/33/49/59/1162334959.db2.gz TVGBKTDSOBHWSR-UHFFFAOYSA-N 1 0 284.315 1.996 20 10 CDCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1O ZINC001580886035 1172564686 /nfs/dbraw/zinc/56/46/86/1172564686.db2.gz VNZVIIHEEABZHQ-MNOVXSKESA-N 1 0 291.178 1.511 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2cccc(OC)c2O)CC1 ZINC000155352837 1178158723 /nfs/dbraw/zinc/15/87/23/1178158723.db2.gz WINGCHOLNZSKQW-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846112222 753843581 /nfs/dbraw/zinc/84/35/81/753843581.db2.gz YJMSFEIJTUGAGB-HNNXBMFYSA-N 1 0 281.352 1.422 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853096933 753850006 /nfs/dbraw/zinc/85/00/06/753850006.db2.gz QHRBEFQBUMLTLV-MRXNPFEDSA-N 1 0 271.364 1.971 20 10 CDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984825 753883776 /nfs/dbraw/zinc/88/37/76/753883776.db2.gz HWLOWUDWWGLFBY-UHFFFAOYSA-N 1 0 283.347 1.391 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC[NH3+])cc1 ZINC000841921968 753899196 /nfs/dbraw/zinc/89/91/96/753899196.db2.gz VSFPGARMZKCFIX-UHFFFAOYSA-N 1 0 278.400 1.633 20 10 CDCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)CS1 ZINC000817770159 753916882 /nfs/dbraw/zinc/91/68/82/753916882.db2.gz GFWDXNAZUSWXHN-SECBINFHSA-N 1 0 254.355 1.620 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970872 753933916 /nfs/dbraw/zinc/93/39/16/753933916.db2.gz GNAFJKRNKBGUPO-MDZLAQPJSA-N 1 0 292.379 1.970 20 10 CDCDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000839195366 754013750 /nfs/dbraw/zinc/01/37/50/754013750.db2.gz HTDYDJBOZQKJLF-SECBINFHSA-N 1 0 268.744 1.661 20 10 CDCDRO CCCN(C(=O)Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC000236802646 754158109 /nfs/dbraw/zinc/15/81/09/754158109.db2.gz FYIJDHCCJCBZAI-UHFFFAOYSA-N 1 0 275.396 1.802 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000825158781 754231335 /nfs/dbraw/zinc/23/13/35/754231335.db2.gz ZZLSAABQLOWELL-INIZCTEOSA-N 1 0 278.396 1.583 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(F)cc1[O-] ZINC000817984401 754240148 /nfs/dbraw/zinc/24/01/48/754240148.db2.gz XOBDFIJSBSNGAV-ONGXEEELSA-N 1 0 254.305 1.170 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000848900266 754290642 /nfs/dbraw/zinc/29/06/42/754290642.db2.gz ZOKGRALUFQSNRF-WFASDCNBSA-N 1 0 278.396 1.763 20 10 CDCDRO COc1ccc(N(C)C[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000258785276 754304007 /nfs/dbraw/zinc/30/40/07/754304007.db2.gz BOVWVZYRPBLPON-LLVKDONJSA-N 1 0 250.342 1.750 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000322967803 754391763 /nfs/dbraw/zinc/39/17/63/754391763.db2.gz WEPZEXMAKYTPJV-MRVPVSSYSA-N 1 0 286.759 1.668 20 10 CDCDRO COc1cc(O)c(C[NH2+]C2CCN(OC)CC2)cc1OC ZINC000817418656 754393728 /nfs/dbraw/zinc/39/37/28/754393728.db2.gz AXHHRYDNHPDIFU-UHFFFAOYSA-N 1 0 296.367 1.525 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c(O)c1 ZINC000877031119 754514503 /nfs/dbraw/zinc/51/45/03/754514503.db2.gz NEGRPOAVLVIZNS-CQSZACIVSA-N 1 0 263.385 1.036 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825336875 754564708 /nfs/dbraw/zinc/56/47/08/754564708.db2.gz AGRLCJCNGGRILX-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841295565 754608669 /nfs/dbraw/zinc/60/86/69/754608669.db2.gz BLIOIMWMZDDLHD-GHMZBOCLSA-N 1 0 262.357 1.825 20 10 CDCDRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CCS1(=O)=O ZINC000311082446 754679537 /nfs/dbraw/zinc/67/95/37/754679537.db2.gz ORTSMZORSGEZIE-LDYMZIIASA-N 1 0 273.329 1.197 20 10 CDCDRO Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(O)c1 ZINC000876686943 754682138 /nfs/dbraw/zinc/68/21/38/754682138.db2.gz CDAGDVGROJKUER-HOTGVXAUSA-N 1 0 290.407 1.732 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3CC[NH2+]3)ccc21 ZINC000827914170 754695619 /nfs/dbraw/zinc/69/56/19/754695619.db2.gz ZRUCVOCDIFJTAF-CYBMUJFWSA-N 1 0 259.353 1.047 20 10 CDCDRO OCCOCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816529425 754699148 /nfs/dbraw/zinc/69/91/48/754699148.db2.gz RZKIEBDBTGGJNX-UHFFFAOYSA-N 1 0 261.321 1.644 20 10 CDCDRO CCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740607 754738661 /nfs/dbraw/zinc/73/86/61/754738661.db2.gz UOXHTNMJGBGIAM-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C(N)=O ZINC000182412406 754768591 /nfs/dbraw/zinc/76/85/91/754768591.db2.gz MHMHTFQSGZDDRP-KCJUWKMLSA-N 1 0 252.314 1.315 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C2(C)CC2)cc1 ZINC000842784509 754804497 /nfs/dbraw/zinc/80/44/97/754804497.db2.gz HHLRZBFOIVETFS-ZDUSSCGKSA-N 1 0 297.424 1.224 20 10 CDCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC000876789997 754818460 /nfs/dbraw/zinc/81/84/60/754818460.db2.gz PFHFYLWIOZDCTN-LBPRGKRZSA-N 1 0 298.408 1.214 20 10 CDCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000824708019 754873289 /nfs/dbraw/zinc/87/32/89/754873289.db2.gz COQHCPZQYYXFBZ-GDBMZVCRSA-N 1 0 278.396 1.894 20 10 CDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877641057 754885303 /nfs/dbraw/zinc/88/53/03/754885303.db2.gz VFTKLRKBZFBWOF-SJORKVTESA-N 1 0 290.407 1.915 20 10 CDCDRO COc1cccc(CNC(=O)NCCC[NH2+]C2CC2)c1O ZINC000841918681 754886359 /nfs/dbraw/zinc/88/63/59/754886359.db2.gz UCQAMNSCSQYYQW-UHFFFAOYSA-N 1 0 293.367 1.342 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(C)cc1O ZINC000877579660 754897494 /nfs/dbraw/zinc/89/74/94/754897494.db2.gz XNBHAGLVXJSTEV-UHFFFAOYSA-N 1 0 250.342 1.705 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COC(C)C)c1 ZINC000182362494 754955767 /nfs/dbraw/zinc/95/57/67/754955767.db2.gz OQDIAKRQDPBGIU-NWDGAFQWSA-N 1 0 283.368 1.837 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000230663346 754988375 /nfs/dbraw/zinc/98/83/75/754988375.db2.gz NXMKQKPNDFBWNO-NEPJUHHUSA-N 1 0 253.342 1.749 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1O ZINC000817419192 755056915 /nfs/dbraw/zinc/05/69/15/755056915.db2.gz QTRSVXUANXZGQH-GFCCVEGCSA-N 1 0 273.340 1.182 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2c(O)cccc2Cl)CCCO1 ZINC000313356419 755058276 /nfs/dbraw/zinc/05/82/76/755058276.db2.gz QMDAMWWOULFWPQ-JTQLQIEISA-N 1 0 270.760 1.595 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000829528061 755158602 /nfs/dbraw/zinc/15/86/02/755158602.db2.gz KAOHPPWJYGOKNK-GXFFZTMASA-N 1 0 297.449 1.741 20 10 CDCDRO CCc1cccc(CN2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000848887351 755171488 /nfs/dbraw/zinc/17/14/88/755171488.db2.gz UKLZPJOBDKOMMG-AWEZNQCLSA-N 1 0 293.363 1.719 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311954029 755229661 /nfs/dbraw/zinc/22/96/61/755229661.db2.gz YGLJHKFYIOADAE-WBIUFABUSA-N 1 0 263.337 1.509 20 10 CDCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCS1(=O)=O ZINC000382014926 755229713 /nfs/dbraw/zinc/22/97/13/755229713.db2.gz NWYZMGSFOOQGBP-ZWNOBZJWSA-N 1 0 281.377 1.287 20 10 CDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000777219937 755321274 /nfs/dbraw/zinc/32/12/74/755321274.db2.gz OHTFBGRSILLOPY-HUUCEWRRSA-N 1 0 295.379 1.611 20 10 CDCDRO Cc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c(O)c1 ZINC000877488910 755411515 /nfs/dbraw/zinc/41/15/15/755411515.db2.gz PSEUTCSUCSXEGF-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO CC(C)C[C@@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227442309 755455444 /nfs/dbraw/zinc/45/54/44/755455444.db2.gz MEMDFSAQBNBOMK-LLVKDONJSA-N 1 0 267.325 1.618 20 10 CDCDRO C[C@H](O)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788524001 755540625 /nfs/dbraw/zinc/54/06/25/755540625.db2.gz JWDHXEPGVJPKAJ-ZDUSSCGKSA-N 1 0 296.386 1.913 20 10 CDCDRO COc1ccc(O)c(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000086467088 755553756 /nfs/dbraw/zinc/55/37/56/755553756.db2.gz FDBYPWYZWMKETG-GHMZBOCLSA-N 1 0 250.342 1.583 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc(F)ccc1O ZINC000717363410 755645760 /nfs/dbraw/zinc/64/57/60/755645760.db2.gz CJKIUXNGKVRXIM-ONGXEEELSA-N 1 0 256.321 1.104 20 10 CDCDRO COc1c(O)c(CN2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047670 755669843 /nfs/dbraw/zinc/66/98/43/755669843.db2.gz UYVMCVOTSIIFST-SNVBAGLBSA-N 1 0 281.312 1.232 20 10 CDCDRO C[C@]1(C(=O)NCCCSc2nccs2)CC[NH2+]C1 ZINC000237755830 755673051 /nfs/dbraw/zinc/67/30/51/755673051.db2.gz XAFSKBPQRXFZTN-LBPRGKRZSA-N 1 0 285.438 1.741 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC000876654925 755686175 /nfs/dbraw/zinc/68/61/75/755686175.db2.gz UJUDKLCMGLTDQR-CYBMUJFWSA-N 1 0 260.337 1.507 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NC2C[NH2+]C2)cc1F ZINC000841798931 755732705 /nfs/dbraw/zinc/73/27/05/755732705.db2.gz NYSHMKOSVGEADM-UHFFFAOYSA-N 1 0 294.374 1.443 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000779199752 755800943 /nfs/dbraw/zinc/80/09/43/755800943.db2.gz KVJLTWNMIZSBJH-JQWIXIFHSA-N 1 0 251.326 1.604 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000877779887 755815361 /nfs/dbraw/zinc/81/53/61/755815361.db2.gz HHXVVOCTMQKAKN-LBPRGKRZSA-N 1 0 283.393 1.701 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000389661135 755849135 /nfs/dbraw/zinc/84/91/35/755849135.db2.gz BQUBXFXJCGPWLP-JTQLQIEISA-N 1 0 264.325 1.312 20 10 CDCDRO CCc1nn(C)cc1C[NH2+]CCc1ccc(N)cc1 ZINC000841035927 755851012 /nfs/dbraw/zinc/85/10/12/755851012.db2.gz QKEURRTWDVWFJY-UHFFFAOYSA-N 1 0 258.369 1.897 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824655956 755869969 /nfs/dbraw/zinc/86/99/69/755869969.db2.gz CNOBGMWTCIFIGE-SECBINFHSA-N 1 0 286.169 1.969 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000877688986 755871503 /nfs/dbraw/zinc/87/15/03/755871503.db2.gz KMPOTAZTHJZCBK-UHFFFAOYSA-N 1 0 299.440 1.090 20 10 CDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069141212 755926212 /nfs/dbraw/zinc/92/62/12/755926212.db2.gz MTYYWPBVLRCXNQ-ZDUSSCGKSA-N 1 0 281.377 1.288 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@](F)(CO)C2)ccc1N(C)C ZINC000815111142 755947475 /nfs/dbraw/zinc/94/74/75/755947475.db2.gz HZWWURPQDKQJRO-HNNXBMFYSA-N 1 0 266.360 1.967 20 10 CDCDRO OCC[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000775029495 755972813 /nfs/dbraw/zinc/97/28/13/755972813.db2.gz ORAFXIUMOPLCJC-ZDUSSCGKSA-N 1 0 271.744 1.677 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000846168312 756014257 /nfs/dbraw/zinc/01/42/57/756014257.db2.gz RYIVIIWDWSDJKM-VHSXEESVSA-N 1 0 284.331 1.526 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1ccccc1O ZINC000879648763 756084414 /nfs/dbraw/zinc/08/44/14/756084414.db2.gz CSQOIHCSMPWWDU-MCIONIFRSA-N 1 0 295.379 1.599 20 10 CDCDRO COC[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000846166500 756164817 /nfs/dbraw/zinc/16/48/17/756164817.db2.gz XZEMNOQPPUMATP-GHMZBOCLSA-N 1 0 269.341 1.713 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCC(=O)NC1=O ZINC000799125971 756184310 /nfs/dbraw/zinc/18/43/10/756184310.db2.gz VZZTYRVAZNTZRX-LBPRGKRZSA-N 1 0 276.336 1.409 20 10 CDCDRO COc1ccc(N2CC[C@@H](N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000849349528 756243620 /nfs/dbraw/zinc/24/36/20/756243620.db2.gz CCJCSCGVXLPBOG-UONOGXRCSA-N 1 0 275.396 1.616 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CC[NH3+])c1 ZINC000841968087 756314329 /nfs/dbraw/zinc/31/43/29/756314329.db2.gz TWGWOCFIOXDXRR-UWVGGRQHSA-N 1 0 281.356 1.498 20 10 CDCDRO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1c([O-])cccc1F ZINC000886631068 756358336 /nfs/dbraw/zinc/35/83/36/756358336.db2.gz BQGHURNPPMTWCI-HZMBPMFUSA-N 1 0 269.316 1.723 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000036795073 756369277 /nfs/dbraw/zinc/36/92/77/756369277.db2.gz WYUNUHDSUWAGKY-JTQLQIEISA-N 1 0 266.341 1.405 20 10 CDCDRO C[C@H]([NH3+])CC(=O)NCCCSc1nccs1 ZINC000829527824 756388203 /nfs/dbraw/zinc/38/82/03/756388203.db2.gz GTLMUGSGLKTUSK-QMMMGPOBSA-N 1 0 259.400 1.479 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841760612 756391859 /nfs/dbraw/zinc/39/18/59/756391859.db2.gz KVBOONDKKNRPGM-SNVBAGLBSA-N 1 0 282.363 1.428 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1C ZINC000093523028 756436164 /nfs/dbraw/zinc/43/61/64/756436164.db2.gz XTXJKKGDFADEPJ-UHFFFAOYSA-N 1 0 285.409 1.916 20 10 CDCDRO CC[NH+](CC)CCNC(=O)NCc1cc(C)ccc1O ZINC000874979916 756470645 /nfs/dbraw/zinc/47/06/45/756470645.db2.gz RNNNCLQIIHBLQV-UHFFFAOYSA-N 1 0 279.384 1.842 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(F)c(F)c1[O-] ZINC000703594212 756485980 /nfs/dbraw/zinc/48/59/80/756485980.db2.gz NUAPAVCFRCFITE-UHFFFAOYSA-N 1 0 275.295 1.765 20 10 CDCDRO C[C@@H]1[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC[N@@H+]1C ZINC000788306765 756530718 /nfs/dbraw/zinc/53/07/18/756530718.db2.gz IGSJEQSXNCDJOA-ZYHUDNBSSA-N 1 0 278.352 1.097 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COCC[C@H]2OC)c1 ZINC000724880316 756539694 /nfs/dbraw/zinc/53/96/94/756539694.db2.gz OULAKUBDQOCFLN-WDBKCZKBSA-N 1 0 281.352 1.855 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCOC1 ZINC000840939736 756543553 /nfs/dbraw/zinc/54/35/53/756543553.db2.gz PESLEKGQGINMRZ-INIZCTEOSA-N 1 0 278.396 1.956 20 10 CDCDRO CSC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000877055614 756638374 /nfs/dbraw/zinc/63/83/74/756638374.db2.gz CUQMNBCVYWZCIJ-ZDUSSCGKSA-N 1 0 255.383 1.904 20 10 CDCDRO C[C@@H](NC(=O)NCC1([NH3+])CCC1)c1ccc(N(C)C)cc1 ZINC000841883237 756660565 /nfs/dbraw/zinc/66/05/65/756660565.db2.gz UAPFQVATEUDPRN-GFCCVEGCSA-N 1 0 290.411 1.994 20 10 CDCDRO COc1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)c(O)c1 ZINC000832178028 756743836 /nfs/dbraw/zinc/74/38/36/756743836.db2.gz LAUSWFYUYANZPV-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCSCCCO ZINC000877013484 756767800 /nfs/dbraw/zinc/76/78/00/756767800.db2.gz AKHMXXQYCNUMSI-UHFFFAOYSA-N 1 0 255.383 1.906 20 10 CDCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC1 ZINC000848993550 756775707 /nfs/dbraw/zinc/77/57/07/756775707.db2.gz IUBIISJEEZAVNE-UHFFFAOYSA-N 1 0 292.358 1.392 20 10 CDCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000824708930 756784852 /nfs/dbraw/zinc/78/48/52/756784852.db2.gz LJIZBGPVLVVOQP-QMTHXVAHSA-N 1 0 269.316 1.672 20 10 CDCDRO Cc1cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1N(C)C ZINC000923297437 756803085 /nfs/dbraw/zinc/80/30/85/756803085.db2.gz PFADTKYYUGAEEY-XJKSGUPXSA-N 1 0 277.412 1.609 20 10 CDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922074084 756831253 /nfs/dbraw/zinc/83/12/53/756831253.db2.gz RGICJZZEPLVBDY-MLGOLLRUSA-N 1 0 277.364 1.641 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)c(O)c1 ZINC000840884989 756851364 /nfs/dbraw/zinc/85/13/64/756851364.db2.gz UDDPKCWJXGFMJL-NSHDSACASA-N 1 0 283.393 1.928 20 10 CDCDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000305756861 756859183 /nfs/dbraw/zinc/85/91/83/756859183.db2.gz BFXJCOBIDQSOJR-XJKSGUPXSA-N 1 0 278.396 1.945 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000877477451 756867429 /nfs/dbraw/zinc/86/74/29/756867429.db2.gz FDNVPIMEXWXEEX-VOJFVSQTSA-N 1 0 267.394 1.901 20 10 CDCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000865666845 756891622 /nfs/dbraw/zinc/89/16/22/756891622.db2.gz PCLGSTNBGUFJBX-DOTOQJQBSA-N 1 0 285.343 1.909 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCSC[C@@H]2CO)c(O)c1 ZINC000877780116 756916671 /nfs/dbraw/zinc/91/66/71/756916671.db2.gz KPFWARLFHCMPFI-LBPRGKRZSA-N 1 0 283.393 1.701 20 10 CDCDRO CC[C@@H](C(=O)NCc1ccc(OC)cc1O)[NH+](C)C ZINC000794380032 756975333 /nfs/dbraw/zinc/97/53/33/756975333.db2.gz WBCLXXDNHARJRK-LBPRGKRZSA-N 1 0 266.341 1.357 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OC)c2O)[C@@H]1C ZINC000787420282 757161914 /nfs/dbraw/zinc/16/19/14/757161914.db2.gz FHDUIFGPWURZSU-PWSUYJOCSA-N 1 0 279.336 1.784 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCS(=O)(=O)CC1 ZINC000812833816 757466452 /nfs/dbraw/zinc/46/64/52/757466452.db2.gz YAPASXQYMZTTTM-UHFFFAOYSA-N 1 0 296.436 1.728 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000862757834 757565612 /nfs/dbraw/zinc/56/56/12/757565612.db2.gz FXGDNXYDMHFMDO-CYBMUJFWSA-N 1 0 292.379 1.285 20 10 CDCDRO CCOc1ccc(O)c(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000843043870 757665478 /nfs/dbraw/zinc/66/54/78/757665478.db2.gz NLMAAFDJHIBOGH-GFCCVEGCSA-N 1 0 250.342 1.714 20 10 CDCDRO COc1cccc(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1O ZINC000831212893 757683576 /nfs/dbraw/zinc/68/35/76/757683576.db2.gz XVUCLDGRKXQTHB-NXEZZACHSA-N 1 0 281.356 1.326 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000828666695 757854956 /nfs/dbraw/zinc/85/49/56/757854956.db2.gz HNWOQRLJTUOSCX-XCBNKYQSSA-N 1 0 288.294 1.561 20 10 CDCDRO COCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@H](C)C(N)=O ZINC000840914839 757866607 /nfs/dbraw/zinc/86/66/07/757866607.db2.gz ZPEWLBQPVDWRDZ-CYBMUJFWSA-N 1 0 293.411 1.383 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000877613336 757901024 /nfs/dbraw/zinc/90/10/24/757901024.db2.gz FMVLDLPMIUBCHY-LBPRGKRZSA-N 1 0 274.364 1.801 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843116225 757950484 /nfs/dbraw/zinc/95/04/84/757950484.db2.gz VWUPRWCIVNWRHO-CQSZACIVSA-N 1 0 295.339 1.480 20 10 CDCDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000826995288 757964278 /nfs/dbraw/zinc/96/42/78/757964278.db2.gz SQSICQAFPRJMDM-GFCCVEGCSA-N 1 0 262.309 1.419 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1=O ZINC000776151663 758003401 /nfs/dbraw/zinc/00/34/01/758003401.db2.gz SCFLOAXTUIGIFD-VIFPVBQESA-N 1 0 272.707 1.505 20 10 CDCDRO CCn1nccc1C[NH2+]Cc1c(O)cccc1OC ZINC000853093123 758065522 /nfs/dbraw/zinc/06/55/22/758065522.db2.gz CWXCLYVFNDSDLD-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167946 758084030 /nfs/dbraw/zinc/08/40/30/758084030.db2.gz PHLVZUCJTMLWSQ-WDEREUQCSA-N 1 0 269.341 1.449 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846212961 758257946 /nfs/dbraw/zinc/25/79/46/758257946.db2.gz ORZZITQUSHCFJE-LRDDRELGSA-N 1 0 295.379 1.983 20 10 CDCDRO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841653192 758322364 /nfs/dbraw/zinc/32/23/64/758322364.db2.gz HXGGFNQTDRCDGA-AWEZNQCLSA-N 1 0 290.411 1.646 20 10 CDCDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)n(C)n1 ZINC000879649206 758344938 /nfs/dbraw/zinc/34/49/38/758344938.db2.gz NUAKZTXRFOEHAL-LLVKDONJSA-N 1 0 288.351 1.723 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CNCCO2)cc1 ZINC000817983745 758476874 /nfs/dbraw/zinc/47/68/74/758476874.db2.gz PIYGZHZGBWMDRA-CZUORRHYSA-N 1 0 277.412 1.782 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886558821 758577212 /nfs/dbraw/zinc/57/72/12/758577212.db2.gz STYODXOFNABPRB-UWVGGRQHSA-N 1 0 257.305 1.579 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000858547674 758582830 /nfs/dbraw/zinc/58/28/30/758582830.db2.gz IDKNLCPWCLOYET-VXGBXAGGSA-N 1 0 280.368 1.118 20 10 CDCDRO Cc1ccc(CN2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC000877184238 758818958 /nfs/dbraw/zinc/81/89/58/758818958.db2.gz KUUCHHMEKRDROT-UHFFFAOYSA-N 1 0 262.353 1.753 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000877034483 1165963222 /nfs/dbraw/zinc/96/32/22/1165963222.db2.gz IOGHEGCDEDTGHP-CQSZACIVSA-N 1 0 253.342 1.578 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000877493477 1166048596 /nfs/dbraw/zinc/04/85/96/1166048596.db2.gz BWHTWJGNXPRWLI-CHWSQXEVSA-N 1 0 265.353 1.435 20 10 CDCDRO Oc1cc(Br)ccc1CN[C@H]1C[NH2+]CC12CC2 ZINC001580888689 1167725411 /nfs/dbraw/zinc/72/54/11/1167725411.db2.gz VXHRNDTXERRBPW-LBPRGKRZSA-N 1 0 297.196 1.996 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173769539 912834220 /nfs/dbraw/zinc/83/42/20/912834220.db2.gz NBGYLACBUMDKLX-ZIAGYGMSSA-N 1 0 287.367 1.994 20 10 CDCDRO Cn1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167431295 895658759 /nfs/dbraw/zinc/65/87/59/895658759.db2.gz QQFZVMMEQPDJEI-UHFFFAOYSA-N 1 0 285.395 1.784 20 10 CDCDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)cc1O ZINC001235074244 914010820 /nfs/dbraw/zinc/01/08/20/914010820.db2.gz BIOUWSNTFIPJGE-GHMZBOCLSA-N 1 0 264.325 1.043 20 10 CDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1c(O)ccc(F)c1F)C2 ZINC001235993298 914506077 /nfs/dbraw/zinc/50/60/77/914506077.db2.gz QZDCUKXSUKQABD-SDBXPKJASA-N 1 0 254.280 1.594 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC2(F)F)cc1C ZINC001126782126 908821343 /nfs/dbraw/zinc/82/13/43/908821343.db2.gz NVAJKQZIWPKTKE-GFCCVEGCSA-N 1 0 298.333 1.865 20 10 CDCDRO CC1(C)C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CO1 ZINC001172271266 911488490 /nfs/dbraw/zinc/48/84/90/911488490.db2.gz KHFWJQQXAZBWQJ-NSHDSACASA-N 1 0 251.326 1.797 20 10 CDCDRO COc1cc(CN2C[C@@H](C)OC[C@H]2C)c(O)cc1O ZINC001231638509 911796260 /nfs/dbraw/zinc/79/62/60/911796260.db2.gz CMTXKSQHENXGDV-NXEZZACHSA-N 1 0 267.325 1.716 20 10 CDCDRO Cc1cc(Br)cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC001236291566 914893225 /nfs/dbraw/zinc/89/32/25/914893225.db2.gz LVDJOJKVNDJYJZ-JQWIXIFHSA-N 1 0 297.196 1.867 20 10 CDCDRO C[C@H](C(=O)N1CCc2cccc(O)c2C1)[NH+]1CCCC1 ZINC001180578733 916437390 /nfs/dbraw/zinc/43/73/90/916437390.db2.gz JQNNCZHCEBGNML-GFCCVEGCSA-N 1 0 274.364 1.761 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H]([NH3+])C[C@H](F)C2)c1O ZINC001206447467 916990650 /nfs/dbraw/zinc/99/06/50/916990650.db2.gz YCLOOARBCSMBPW-WDEREUQCSA-N 1 0 288.750 1.925 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1 ZINC001181507179 917112452 /nfs/dbraw/zinc/11/24/52/917112452.db2.gz ZMDKKRMZDHSCRO-YGRLFVJLSA-N 1 0 251.326 1.604 20 10 CDCDRO C[NH+](C)C[C@H]1COCCN1Cc1cccc(F)c1O ZINC001138129727 936475592 /nfs/dbraw/zinc/47/55/92/936475592.db2.gz TWHFYVFYRHZVKZ-LBPRGKRZSA-N 1 0 268.332 1.294 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)cc1Cl ZINC001205190116 918431126 /nfs/dbraw/zinc/43/11/26/918431126.db2.gz LOXDIVBLPBLVIM-LDYMZIIASA-N 1 0 270.760 1.976 20 10 CDCDRO Cc1cc(CN2CCOC[C@@H]2C[NH+](C)C)ccc1N(C)C ZINC001139674099 936634457 /nfs/dbraw/zinc/63/44/57/936634457.db2.gz PKZNFRXNDYYMQS-INIZCTEOSA-N 1 0 291.439 1.823 20 10 CDCDRO OCCC[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140463259 936712300 /nfs/dbraw/zinc/71/23/00/936712300.db2.gz YDZYSQUUHKBSTQ-UHFFFAOYSA-N 1 0 284.787 1.546 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC001140742188 936748112 /nfs/dbraw/zinc/74/81/12/936748112.db2.gz JPOJELYPUQZQDE-JOYOIKCWSA-N 1 0 251.326 1.609 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+](C)[C@H]2CCN(C)C2)c1O ZINC001140745355 936749060 /nfs/dbraw/zinc/74/90/60/936749060.db2.gz GSALJZGBGJDRHY-LBPRGKRZSA-N 1 0 250.342 1.542 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1O ZINC001140744534 936749129 /nfs/dbraw/zinc/74/91/29/936749129.db2.gz AZGIAPBXHRZHNK-INIZCTEOSA-N 1 0 290.363 1.508 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCN3CCC2CC3)c1O ZINC001140748984 936749334 /nfs/dbraw/zinc/74/93/34/936749334.db2.gz MVUSXAHLOLXYAY-UHFFFAOYSA-N 1 0 262.353 1.686 20 10 CDCDRO CC[N@H+](Cc1ccc(O)c(C)c1O)CC(C)(C)O ZINC001140748441 936749876 /nfs/dbraw/zinc/74/98/76/936749876.db2.gz GMPHWJATBQWPCJ-UHFFFAOYSA-N 1 0 253.342 1.999 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001140921378 936776196 /nfs/dbraw/zinc/77/61/96/936776196.db2.gz BHKPCHCGFODISI-FZMZJTMJSA-N 1 0 284.787 1.191 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001140924031 936776475 /nfs/dbraw/zinc/77/64/75/936776475.db2.gz AYEGWNXWWFWCGR-LLVKDONJSA-N 1 0 281.787 1.713 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(OC)c1 ZINC001141032157 936795854 /nfs/dbraw/zinc/79/58/54/936795854.db2.gz UKJDEZQWTOMHAG-AAEUAGOBSA-N 1 0 285.315 1.314 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@@H]3CO)ccc21 ZINC001141139588 936818673 /nfs/dbraw/zinc/81/86/73/936818673.db2.gz YBODOICXTREAGF-CQSZACIVSA-N 1 0 276.380 1.862 20 10 CDCDRO COCC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141139058 936818917 /nfs/dbraw/zinc/81/89/17/936818917.db2.gz HNVUIGJKJLZCPZ-UHFFFAOYSA-N 1 0 250.342 1.593 20 10 CDCDRO C[N@@H+]1CCC[C@](C)(NC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193247093 923562377 /nfs/dbraw/zinc/56/23/77/923562377.db2.gz KSVDQPIHWRQVKG-AWEZNQCLSA-N 1 0 298.770 1.965 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnnn1C ZINC000822273280 925614712 /nfs/dbraw/zinc/61/47/12/925614712.db2.gz DHMMRTUUUQUNGS-SNVBAGLBSA-N 1 0 258.325 1.601 20 10 CDCDRO CN1CC[C@]2(CC[N@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001273265104 925661756 /nfs/dbraw/zinc/66/17/56/925661756.db2.gz BPQUGPNBGDUTAD-OAHLLOKOSA-N 1 0 278.327 1.586 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(O)cc1O ZINC001206631923 937203125 /nfs/dbraw/zinc/20/31/25/937203125.db2.gz CVXSQPBPVKDQAM-NSHDSACASA-N 1 0 280.368 1.667 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)CO1 ZINC001169326668 927956876 /nfs/dbraw/zinc/95/68/76/927956876.db2.gz MCTBEYLWYXXHSC-GXTWGEPZSA-N 1 0 279.336 1.593 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1O ZINC000691452472 928870675 /nfs/dbraw/zinc/87/06/75/928870675.db2.gz KDHIAZQUOPEAGK-CYBMUJFWSA-N 1 0 283.393 1.621 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](CC)C(=O)NC)c1O ZINC000697827780 937286385 /nfs/dbraw/zinc/28/63/85/937286385.db2.gz MNARCCZUVVGGBN-GFCCVEGCSA-N 1 0 250.342 1.569 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(CC)c1O ZINC000691481131 928997541 /nfs/dbraw/zinc/99/75/41/928997541.db2.gz FWLBPUVMOGILGS-SNVBAGLBSA-N 1 0 250.342 1.569 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H](COC)OC)c1O ZINC000691494399 929065495 /nfs/dbraw/zinc/06/54/95/929065495.db2.gz NWTUOHBUPMENFQ-ZDUSSCGKSA-N 1 0 253.342 1.706 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1COCCN1 ZINC000863650134 929584126 /nfs/dbraw/zinc/58/41/26/929584126.db2.gz OQVLLCZDWMATAR-CQSZACIVSA-N 1 0 263.385 1.139 20 10 CDCDRO C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112399 931665610 /nfs/dbraw/zinc/66/56/10/931665610.db2.gz DJVSCPWNIPSRKM-INIZCTEOSA-N 1 0 292.379 1.721 20 10 CDCDRO CN1CCOc2cc(CN3CC4(CC[N@@H+]4C)C3)ccc21 ZINC001275418507 931783722 /nfs/dbraw/zinc/78/37/22/931783722.db2.gz CWXQAPYBLFFIDL-UHFFFAOYSA-N 1 0 273.380 1.405 20 10 CDCDRO OC[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500577 931859724 /nfs/dbraw/zinc/85/97/24/931859724.db2.gz VJVYBEPMEFJPFK-VIFPVBQESA-N 1 0 253.298 1.008 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144508942 931874141 /nfs/dbraw/zinc/87/41/41/931874141.db2.gz DYSBSZVAKAZLTR-CYBMUJFWSA-N 1 0 253.298 1.150 20 10 CDCDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(O)cc(O)cc2O)C1 ZINC001144514861 931877267 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0 265.353 1.994 20 10 CDCDRO COc1c(O)c(C[NH+]2CC(C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000297305606 200142194 /nfs/dbraw/zinc/14/21/94/200142194.db2.gz BWSKLUVFQNDHPB-UHFFFAOYSA-N 1 0 296.323 1.512 20 10 CDCDRO CN(Cc1ccccc1O)c1cc[nH+]cc1C(N)=O ZINC000302621212 364530213 /nfs/dbraw/zinc/53/02/13/364530213.db2.gz GZAZXDDLUIQDER-UHFFFAOYSA-N 1 0 257.293 1.523 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)CCC(=O)NC)c(O)c1 ZINC000179411805 364991699 /nfs/dbraw/zinc/99/16/99/364991699.db2.gz LEEQOIZUIUOBKC-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO C[N@H+](CCCOC(=O)NC(N)=O)Cc1ccccc1O ZINC000271422156 364983573 /nfs/dbraw/zinc/98/35/73/364983573.db2.gz YOBBOHPKLKWBCG-UHFFFAOYSA-N 1 0 281.312 1.019 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(O)c1O ZINC000272770562 365389038 /nfs/dbraw/zinc/38/90/38/365389038.db2.gz SBBXUZGCESPEIA-MFKMUULPSA-N 1 0 290.363 1.619 20 10 CDCDRO Cc1cc(O)c(C[NH2+]Cc2cc(C(N)=O)no2)cc1C ZINC000273377594 365490426 /nfs/dbraw/zinc/49/04/26/365490426.db2.gz HAKNATWBKXVNRL-UHFFFAOYSA-N 1 0 275.308 1.386 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000273584269 365510315 /nfs/dbraw/zinc/51/03/15/365510315.db2.gz NIGJHMANOVRCLA-CHWSQXEVSA-N 1 0 294.395 1.772 20 10 CDCDRO CS(=O)(=O)[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000282674061 367985402 /nfs/dbraw/zinc/98/54/02/367985402.db2.gz HTQDQZWDUQOFQC-VIFPVBQESA-N 1 0 289.784 1.665 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cc(F)ccc1O ZINC000282835833 368061222 /nfs/dbraw/zinc/06/12/22/368061222.db2.gz VDUNVEQQXGPBIN-UHFFFAOYSA-N 1 0 257.305 1.362 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282842879 368063849 /nfs/dbraw/zinc/06/38/49/368063849.db2.gz CSZQNDNHXMPEHF-GFCCVEGCSA-N 1 0 276.336 1.362 20 10 CDCDRO [NH3+]C[C@]12CC[C@H]1CCN2Cc1cc(F)c(F)cc1O ZINC001580253229 1172385001 /nfs/dbraw/zinc/38/50/01/1172385001.db2.gz JHVVDLYWXSRJTE-IINYFYTJSA-N 1 0 268.307 1.984 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)OCCO)cc1C ZINC000288324052 369431220 /nfs/dbraw/zinc/43/12/20/369431220.db2.gz ABSHNROLUGOEHO-UHFFFAOYSA-N 1 0 267.369 1.886 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC(F)F)c1 ZINC000271858542 371082567 /nfs/dbraw/zinc/08/25/67/371082567.db2.gz SYFJMPXFEDCJJO-QMMMGPOBSA-N 1 0 288.294 1.433 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000295178930 371140616 /nfs/dbraw/zinc/14/06/16/371140616.db2.gz VKDYNBORGWEQDC-CYBMUJFWSA-N 1 0 294.351 1.673 20 10 CDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000295198263 371144770 /nfs/dbraw/zinc/14/47/70/371144770.db2.gz OTXGWLCFTSCROQ-SNVBAGLBSA-N 1 0 279.359 1.648 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCOCCO)c(O)c1 ZINC000293589745 378575534 /nfs/dbraw/zinc/57/55/34/378575534.db2.gz FIHVPMSDYVLXFE-LBPRGKRZSA-N 1 0 253.342 1.669 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000093809167 390904259 /nfs/dbraw/zinc/90/42/59/390904259.db2.gz UWEMUIXQGAEPRQ-GFCCVEGCSA-N 1 0 262.353 1.788 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000373143291 391107777 /nfs/dbraw/zinc/10/77/77/391107777.db2.gz WSJIKSSHOUMUGV-DZGCQCFKSA-N 1 0 281.327 1.959 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C)C1=O ZINC000174372152 391121272 /nfs/dbraw/zinc/12/12/72/391121272.db2.gz TVAAADMGHAVHCZ-CYBMUJFWSA-N 1 0 262.353 1.835 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000179562238 391210541 /nfs/dbraw/zinc/21/05/41/391210541.db2.gz LPQUINVTVHRJFE-OAHLLOKOSA-N 1 0 276.380 1.689 20 10 CDCDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccccc1O ZINC000179578868 391212934 /nfs/dbraw/zinc/21/29/34/391212934.db2.gz LMQNORYLFRIONK-LBPRGKRZSA-N 1 0 281.377 1.873 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000361049746 391678837 /nfs/dbraw/zinc/67/88/37/391678837.db2.gz DNSXRQXSIVLANF-GDBMZVCRSA-N 1 0 294.370 1.562 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@H]3CCOC3)C1)OCO2 ZINC000372175261 391841188 /nfs/dbraw/zinc/84/11/88/391841188.db2.gz GRQLWPAIVKMYIJ-NEPJUHHUSA-N 1 0 291.347 1.979 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2cc(C)ccc2O)CCOCC1 ZINC000152541543 261065288 /nfs/dbraw/zinc/06/52/88/261065288.db2.gz QZVDHHKPWPHAPQ-UHFFFAOYSA-N 1 0 293.363 1.903 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000363886020 262008351 /nfs/dbraw/zinc/00/83/51/262008351.db2.gz HTFQGAAEYFNSJB-AWEZNQCLSA-N 1 0 262.353 1.217 20 10 CDCDRO OCCCSCC[NH2+]Cc1cc(F)ccc1O ZINC000226606476 262379510 /nfs/dbraw/zinc/37/95/10/262379510.db2.gz MTBJNVQFDXUZOM-UHFFFAOYSA-N 1 0 259.346 1.737 20 10 CDCDRO CCNC(=O)C1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000276822568 263038263 /nfs/dbraw/zinc/03/82/63/263038263.db2.gz ATLWPNCTNMFNDV-UHFFFAOYSA-N 1 0 280.343 1.927 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000368131606 267146898 /nfs/dbraw/zinc/14/68/98/267146898.db2.gz AWNGWLCSTQFXGG-JTQLQIEISA-N 1 0 264.325 1.098 20 10 CDCDRO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000297002637 275642489 /nfs/dbraw/zinc/64/24/89/275642489.db2.gz SUPDBABVRGRJES-CHWSQXEVSA-N 1 0 274.364 1.978 20 10 CDCDRO OCCOCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296273064 304825981 /nfs/dbraw/zinc/82/59/81/304825981.db2.gz CIDGNUGTACHXTB-GFCCVEGCSA-N 1 0 251.326 1.368 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1O ZINC000272900308 328201252 /nfs/dbraw/zinc/20/12/52/328201252.db2.gz UYLMZRSTROEWSA-ABAIWWIYSA-N 1 0 265.353 1.830 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)c1cccc(O)c1O ZINC000126320473 329591452 /nfs/dbraw/zinc/59/14/52/329591452.db2.gz WZMTVNUKLQGCET-SECBINFHSA-N 1 0 252.314 1.168 20 10 CDCDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccccc1O ZINC000228055280 333293805 /nfs/dbraw/zinc/29/38/05/333293805.db2.gz HIVLFSLCHTXTNZ-OSAQELSMSA-N 1 0 265.353 1.973 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000581199677 336023663 /nfs/dbraw/zinc/02/36/63/336023663.db2.gz LDFVIWOHYOUFOH-JTQLQIEISA-N 1 0 263.341 1.086 20 10 CDCDRO COc1ccc(CN2CC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000134182410 1175812901 /nfs/dbraw/zinc/81/29/01/1175812901.db2.gz ZHHXCYKJTVTXRX-LBPRGKRZSA-N 1 0 250.342 1.537 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1O ZINC000071299505 521363764 /nfs/dbraw/zinc/36/37/64/521363764.db2.gz MQFATIIDLQKAON-GFCCVEGCSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CC(C)(CO)CO)c1O ZINC000093502668 521331327 /nfs/dbraw/zinc/33/13/27/521331327.db2.gz SRIQDLNCUZHEAW-UHFFFAOYSA-N 1 0 283.368 1.214 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1 ZINC000292650254 522208257 /nfs/dbraw/zinc/20/82/57/522208257.db2.gz KZOCBSCUYMCYOX-CABCVRRESA-N 1 0 264.369 1.382 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000290113684 522209265 /nfs/dbraw/zinc/20/92/65/522209265.db2.gz LIIXWMQVRCHTKR-AWEZNQCLSA-N 1 0 296.436 1.667 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000281003997 522687326 /nfs/dbraw/zinc/68/73/26/522687326.db2.gz NTPMXMZAVHRNPH-FZMZJTMJSA-N 1 0 279.380 1.929 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000278682998 522750598 /nfs/dbraw/zinc/75/05/98/522750598.db2.gz PDVRVVKPHUDCMH-HOCLYGCPSA-N 1 0 277.364 1.905 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000289744183 523412484 /nfs/dbraw/zinc/41/24/84/523412484.db2.gz VZDKFFYQPKITTE-CHWSQXEVSA-N 1 0 262.353 1.739 20 10 CDCDRO CN1CCC2(CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC000365827824 523787230 /nfs/dbraw/zinc/78/72/30/523787230.db2.gz DBNGVYASWCHEEU-UHFFFAOYSA-N 1 0 274.364 1.837 20 10 CDCDRO COCCOCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000044693650 524010374 /nfs/dbraw/zinc/01/03/74/524010374.db2.gz MBVZQWQWJZGAKZ-NSHDSACASA-N 1 0 269.341 1.714 20 10 CDCDRO COc1ccc(N2CC[NH+](CCC3OCCO3)CC2)cc1 ZINC000123613909 524423545 /nfs/dbraw/zinc/42/35/45/524423545.db2.gz MYBGWDGRUAKHPM-UHFFFAOYSA-N 1 0 292.379 1.580 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(O)c1O ZINC000279305000 524573739 /nfs/dbraw/zinc/57/37/39/524573739.db2.gz NUBJQVXTOIGKOL-CABZTGNLSA-N 1 0 276.336 1.310 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000129790779 525343698 /nfs/dbraw/zinc/34/36/98/525343698.db2.gz DDVHVCOFKVACBQ-UHFFFAOYSA-N 1 0 290.407 1.997 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000278484819 525352779 /nfs/dbraw/zinc/35/27/79/525352779.db2.gz KFPFOAOHWIVRNM-AWEZNQCLSA-N 1 0 251.326 1.332 20 10 CDCDRO CSCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000040464523 525578733 /nfs/dbraw/zinc/57/87/33/525578733.db2.gz WXNYDFDCLBHCHV-AWEZNQCLSA-N 1 0 295.452 1.791 20 10 CDCDRO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279956328 526408904 /nfs/dbraw/zinc/40/89/04/526408904.db2.gz SOTOUQCXUCXJKN-CYBMUJFWSA-N 1 0 290.363 1.383 20 10 CDCDRO OC[C@@H](CC1CCC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000279615539 527578545 /nfs/dbraw/zinc/57/85/45/527578545.db2.gz AHUJNLVZAQDWDA-GFCCVEGCSA-N 1 0 279.336 1.762 20 10 CDCDRO C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+](C)C ZINC000078756119 538397051 /nfs/dbraw/zinc/39/70/51/538397051.db2.gz DLKMFQKCZXELTN-NSHDSACASA-N 1 0 277.368 1.428 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H]2COCCO2)c(O)c1 ZINC000725846571 574443962 /nfs/dbraw/zinc/44/39/62/574443962.db2.gz IBTBFPSGAXQIIT-CYBMUJFWSA-N 1 0 267.325 1.296 20 10 CDCDRO CN(Cc1ccccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000749297038 574534562 /nfs/dbraw/zinc/53/45/62/574534562.db2.gz JVJORLPSKRAJFQ-AWEZNQCLSA-N 1 0 264.369 1.281 20 10 CDCDRO CC[N@H+](CCNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000732282071 575086485 /nfs/dbraw/zinc/08/64/85/575086485.db2.gz JHBBFALNGQZRRU-UHFFFAOYSA-N 1 0 254.355 1.668 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)c1 ZINC000769501325 575353221 /nfs/dbraw/zinc/35/32/21/575353221.db2.gz AXLQMRDJKMESHU-UHFFFAOYSA-N 1 0 291.395 1.082 20 10 CDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCO1 ZINC000768447260 576284175 /nfs/dbraw/zinc/28/41/75/576284175.db2.gz NTSKLWFVPCOSOT-CQSZACIVSA-N 1 0 293.363 1.819 20 10 CDCDRO C[C@H]1COCCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462445 576286668 /nfs/dbraw/zinc/28/66/68/576286668.db2.gz LMTKLDPXELFCSG-IINYFYTJSA-N 1 0 279.336 1.429 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(O)(COC)CC2)c(O)c1 ZINC000769452354 576355179 /nfs/dbraw/zinc/35/51/79/576355179.db2.gz XFCNYJGKSJCMBM-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO CN(Cc1cnnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761220634 576560804 /nfs/dbraw/zinc/56/08/04/576560804.db2.gz HQFRLVRVOXYUOS-UHFFFAOYSA-N 1 0 289.383 1.392 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2cc(C)c(C)cc2O)CCOC1 ZINC000763479398 576738616 /nfs/dbraw/zinc/73/86/16/576738616.db2.gz IQJICLZOUDNNTQ-HNNXBMFYSA-N 1 0 265.353 1.904 20 10 CDCDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756777168 577003781 /nfs/dbraw/zinc/00/37/81/577003781.db2.gz WJXCEEUBAQBOFZ-ISVAXAHUSA-N 1 0 297.305 1.788 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000759174488 577157241 /nfs/dbraw/zinc/15/72/41/577157241.db2.gz UFJPWOARZHGPFE-NHYWBVRUSA-N 1 0 295.335 1.405 20 10 CDCDRO COCCN1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC000123026973 1175247680 /nfs/dbraw/zinc/24/76/80/1175247680.db2.gz GTZSQFSJVSLNAH-UHFFFAOYSA-N 1 0 280.368 1.165 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892043600 617437448 /nfs/dbraw/zinc/43/74/48/617437448.db2.gz DOMSKTPLNAUXSJ-UWVGGRQHSA-N 1 0 251.330 1.347 20 10 CDCDRO COc1ccc(C[N@H+](C)CC2(O)CCC2)c(O)c1OC ZINC000893576488 617609408 /nfs/dbraw/zinc/60/94/08/617609408.db2.gz AALXLJYMPLMULU-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCC[C@@H]2C)c(O)c1OC ZINC000893355316 617656169 /nfs/dbraw/zinc/65/61/69/617656169.db2.gz CSLTYGOWKDGGIP-LBPRGKRZSA-N 1 0 294.395 1.983 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000892792207 617752489 /nfs/dbraw/zinc/75/24/89/617752489.db2.gz RJGAULLTXAKTLR-ZYHUDNBSSA-N 1 0 269.366 1.305 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709880 617991021 /nfs/dbraw/zinc/99/10/21/617991021.db2.gz NQOPNUGTYMKUSC-LBPRGKRZSA-N 1 0 276.384 1.433 20 10 CDCDRO COc1ccc(C[NH2+]CC(=O)NC(C)C)c(O)c1OC ZINC000892409224 618163690 /nfs/dbraw/zinc/16/36/90/618163690.db2.gz YQMMLAHPTHDVQK-UHFFFAOYSA-N 1 0 282.340 1.024 20 10 CDCDRO COc1ccc(C[NH2+]CCSC)c(O)c1OC ZINC000892437941 618203523 /nfs/dbraw/zinc/20/35/23/618203523.db2.gz WBMTWKYXPMXNGS-UHFFFAOYSA-N 1 0 257.355 1.862 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cc(C)nn2C)c(O)c1OC ZINC000894287752 618487938 /nfs/dbraw/zinc/48/79/38/618487938.db2.gz REWDVCDAOJLEDZ-UHFFFAOYSA-N 1 0 291.351 1.741 20 10 CDCDRO CN(C)c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1F ZINC000841043877 618677998 /nfs/dbraw/zinc/67/79/98/618677998.db2.gz YHCGLZJEITZQCW-GFCCVEGCSA-N 1 0 251.349 1.733 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894219146 618730927 /nfs/dbraw/zinc/73/09/27/618730927.db2.gz FQDHLIUQPHDITQ-UHFFFAOYSA-N 1 0 287.381 1.234 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCN2CCOC2=O)c1O ZINC000894227084 618737764 /nfs/dbraw/zinc/73/77/64/618737764.db2.gz XLTXGNRGYWRSTA-UHFFFAOYSA-N 1 0 294.351 1.641 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1O ZINC000894595321 618986394 /nfs/dbraw/zinc/98/63/94/618986394.db2.gz OHMJOLYWGLUMEX-NHYWBVRUSA-N 1 0 281.352 1.339 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000895253164 619498210 /nfs/dbraw/zinc/49/82/10/619498210.db2.gz BZBHRIDFVRCWTP-NSHDSACASA-N 1 0 265.353 1.960 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCN(C=O)CC2)c1O ZINC000895355045 619597808 /nfs/dbraw/zinc/59/78/08/619597808.db2.gz WSDASTZHDHMKCI-UHFFFAOYSA-N 1 0 278.352 1.373 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2)c(O)c1OC ZINC000895471030 619678944 /nfs/dbraw/zinc/67/89/44/619678944.db2.gz HTANVKQIYCQUQK-MGCOHNPYSA-N 1 0 253.298 1.022 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000901130598 623889972 /nfs/dbraw/zinc/88/99/72/623889972.db2.gz DKZSHAGIJZYYGF-NSHDSACASA-N 1 0 278.352 1.587 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042544473 624494524 /nfs/dbraw/zinc/49/45/24/624494524.db2.gz XWLLTLJUKSCESQ-WDEREUQCSA-N 1 0 250.342 1.756 20 10 CDCDRO O=C(CCCC[NH+]1CCCC1)NCc1ccc(O)cc1O ZINC000910952025 629115291 /nfs/dbraw/zinc/11/52/91/629115291.db2.gz PGIONOZYEJWDMU-UHFFFAOYSA-N 1 0 292.379 1.980 20 10 CDCDRO CC1=NO[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911668203 629386848 /nfs/dbraw/zinc/38/68/48/629386848.db2.gz WDLYIYFAIOIHOF-UONOGXRCSA-N 1 0 290.367 1.033 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c1O ZINC000152959116 631434700 /nfs/dbraw/zinc/43/47/00/631434700.db2.gz KWCIWNJZILTNNB-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC[NH3+] ZINC000032113269 631528666 /nfs/dbraw/zinc/52/86/66/631528666.db2.gz DNFKISBUBMNSGO-UHFFFAOYSA-N 1 0 263.385 1.838 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000921029717 632869787 /nfs/dbraw/zinc/86/97/87/632869787.db2.gz VAOQCGWXBNUOGP-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO CC(=O)NCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921502519 633038114 /nfs/dbraw/zinc/03/81/14/633038114.db2.gz OPWUFFNAQORLFA-UHFFFAOYSA-N 1 0 262.353 1.627 20 10 CDCDRO C[C@@H]1CCN(C(=O)CCc2ccc(O)c(O)c2)C[C@@H]1[NH3+] ZINC001157804687 1162437612 /nfs/dbraw/zinc/43/76/12/1162437612.db2.gz VPTDYHSRIIXLEN-PWSUYJOCSA-N 1 0 278.352 1.226 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876748537 1165906766 /nfs/dbraw/zinc/90/67/66/1165906766.db2.gz DZIFFGZTJMBCMX-ZDUSSCGKSA-N 1 0 251.326 1.548 20 10 CDCDRO Cc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)c(O)c1 ZINC000877020851 1165960473 /nfs/dbraw/zinc/96/04/73/1165960473.db2.gz GCXSZDNUERBPBH-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO COc1ccc(CN2CC[NH2+][C@H](C)[C@@H]2C)c(O)c1OC ZINC001579214047 1172117049 /nfs/dbraw/zinc/11/70/49/1172117049.db2.gz UVTAOTQQJRHBSD-MNOVXSKESA-N 1 0 280.368 1.592 20 10 CDCDRO [NH3+][C@@H](Cc1ccncc1)C(=O)NCc1c(O)cccc1F ZINC001580369223 1172414407 /nfs/dbraw/zinc/41/44/07/1172414407.db2.gz TXUFHUIWLVDGDB-ZDUSSCGKSA-N 1 0 289.310 1.113 20 10 CDCDRO COc1ccc(O)c(CN(C)C[C@@H]2CCC[NH2+]2)c1 ZINC000234964785 1178228929 /nfs/dbraw/zinc/22/89/29/1178228929.db2.gz FTZBTFRGVMDIGR-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCN1CC[C@H](O)C1)CC2 ZINC000858601053 758858438 /nfs/dbraw/zinc/85/84/38/758858438.db2.gz AWPPLYQJYSUFIW-QWHCGFSZSA-N 1 0 262.353 1.036 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000779050920 758862390 /nfs/dbraw/zinc/86/23/90/758862390.db2.gz YWIDSOKIJOCSAI-LBPRGKRZSA-N 1 0 251.257 1.948 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000092660472 758930961 /nfs/dbraw/zinc/93/09/61/758930961.db2.gz FZYXYQMCSGTHIV-LBPRGKRZSA-N 1 0 292.379 1.878 20 10 CDCDRO Cc1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC000877627106 758953219 /nfs/dbraw/zinc/95/32/19/758953219.db2.gz JKAZBVJGZUMEQO-OAHLLOKOSA-N 1 0 276.380 1.607 20 10 CDCDRO OCC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000779202582 759033263 /nfs/dbraw/zinc/03/32/63/759033263.db2.gz OULRDVWVIIYROZ-LLVKDONJSA-N 1 0 265.309 1.468 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000825158405 769638537 /nfs/dbraw/zinc/63/85/37/769638537.db2.gz KPTGJQZGKLZNSQ-AWEZNQCLSA-N 1 0 285.771 1.876 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000248422066 769693790 /nfs/dbraw/zinc/69/37/90/769693790.db2.gz YLSPQQVSTZXOFB-NWDGAFQWSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@H](CCCCO)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817942567 769827367 /nfs/dbraw/zinc/82/73/67/769827367.db2.gz PPIPTBDQWJPRRF-BBRMVZONSA-N 1 0 279.428 1.893 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CNCCO2)cc1C ZINC000841098125 768816987 /nfs/dbraw/zinc/81/69/87/768816987.db2.gz CRRJOUKIOQTUII-ZDUSSCGKSA-N 1 0 250.342 1.087 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC[NH2+]C2CC2)cc1 ZINC000040825895 768825240 /nfs/dbraw/zinc/82/52/40/768825240.db2.gz SBONCWPLVSDZKY-UHFFFAOYSA-N 1 0 261.369 1.511 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000399001030 768843043 /nfs/dbraw/zinc/84/30/43/768843043.db2.gz SRYPTDLGRIOKQG-HNNXBMFYSA-N 1 0 275.396 1.838 20 10 CDCDRO CCC[N@H+](CCc1c[nH]nn1)Cc1ccccc1O ZINC000851792683 768861784 /nfs/dbraw/zinc/86/17/84/768861784.db2.gz QSZJFIMISIGCEB-UHFFFAOYSA-N 1 0 260.341 1.965 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)CS(=O)(=O)CC)c1O ZINC000848896290 768880179 /nfs/dbraw/zinc/88/01/79/768880179.db2.gz XKYDVHPWPNPOIN-LLVKDONJSA-N 1 0 285.409 1.867 20 10 CDCDRO COCC(COC)[NH2+]Cc1cc(OC)ccc1O ZINC000388396866 768970281 /nfs/dbraw/zinc/97/02/81/768970281.db2.gz JGSXZQQRZDERLU-UHFFFAOYSA-N 1 0 255.314 1.152 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccncc2)cc1 ZINC000844163025 769319154 /nfs/dbraw/zinc/31/91/54/769319154.db2.gz SHJRYUTZTRFSPL-MRXNPFEDSA-N 1 0 298.390 1.506 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000817996588 769345310 /nfs/dbraw/zinc/34/53/10/769345310.db2.gz KLFCCUXCNHMEPU-YMTOWFKASA-N 1 0 278.352 1.705 20 10 CDCDRO COc1cccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1O ZINC000843066303 769370087 /nfs/dbraw/zinc/37/00/87/769370087.db2.gz UOCGKDZQVJIFEX-PHIMTYICSA-N 1 0 250.342 1.583 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000724896695 769380973 /nfs/dbraw/zinc/38/09/73/769380973.db2.gz LFPHLNUBLGBLDF-CHWSQXEVSA-N 1 0 251.326 1.594 20 10 CDCDRO CC(C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852793998 769560308 /nfs/dbraw/zinc/56/03/08/769560308.db2.gz KBFCXHISVOVWTO-UHFFFAOYSA-N 1 0 291.395 1.137 20 10 CDCDRO CC(C)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1=O ZINC000708409345 769677940 /nfs/dbraw/zinc/67/79/40/769677940.db2.gz MNFMBSJSRZWPTJ-LBPRGKRZSA-N 1 0 284.306 1.769 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000884310345 769726540 /nfs/dbraw/zinc/72/65/40/769726540.db2.gz VRAOENWPGFRPRX-GWCFXTLKSA-N 1 0 292.379 1.824 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)[NH+](C)C ZINC000820041453 769776796 /nfs/dbraw/zinc/77/67/96/769776796.db2.gz MEGADVWJUUTLSH-GFCCVEGCSA-N 1 0 263.385 1.627 20 10 CDCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000226648364 769783384 /nfs/dbraw/zinc/78/33/84/769783384.db2.gz NWBJIMCJLLIBSU-NSHDSACASA-N 1 0 283.803 1.381 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)cc1F ZINC000873029823 769804335 /nfs/dbraw/zinc/80/43/35/769804335.db2.gz RXVIRFJMLQYEQT-LBPRGKRZSA-N 1 0 279.359 1.650 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)cc2)CC1 ZINC000865662475 769806819 /nfs/dbraw/zinc/80/68/19/769806819.db2.gz CSQFLNFKQMJBBZ-IYBDPMFKSA-N 1 0 289.423 1.299 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(N)nc2)cc1 ZINC000876506644 769815614 /nfs/dbraw/zinc/81/56/14/769815614.db2.gz NAVJFINFMNTXPC-CQSZACIVSA-N 1 0 299.378 1.160 20 10 CDCDRO C[NH2+][C@@H](C)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880995576 769820514 /nfs/dbraw/zinc/82/05/14/769820514.db2.gz BRLYAUVXYUJFGU-QMMMGPOBSA-N 1 0 292.314 1.654 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000876624984 769827057 /nfs/dbraw/zinc/82/70/57/769827057.db2.gz NFNLYYULNQPSPL-ZDUSSCGKSA-N 1 0 289.379 1.690 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000862754790 769861106 /nfs/dbraw/zinc/86/11/06/769861106.db2.gz KKASTFRSARLNSX-DGCLKSJQSA-N 1 0 262.353 1.657 20 10 CDCDRO C[NH2+]C[C@@H](C)NCc1cc(OC)c(OC)cc1O ZINC000853249867 769868418 /nfs/dbraw/zinc/86/84/18/769868418.db2.gz XBSPHNTWGAOBDB-SECBINFHSA-N 1 0 254.330 1.107 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000857061174 770000775 /nfs/dbraw/zinc/00/07/75/770000775.db2.gz LEVNLAQBPFFZBE-WCQYABFASA-N 1 0 265.353 1.851 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H](C)CC(=O)NC)ccc1OC ZINC000825068854 770068703 /nfs/dbraw/zinc/06/87/03/770068703.db2.gz YYAJEAPMWPZJJD-LBPRGKRZSA-N 1 0 294.395 1.846 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000799163876 770113788 /nfs/dbraw/zinc/11/37/88/770113788.db2.gz OAMDSFCUXKIHLJ-DOMZBBRYSA-N 1 0 293.363 1.819 20 10 CDCDRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1O ZINC000776008340 770164130 /nfs/dbraw/zinc/16/41/30/770164130.db2.gz QPKKKIBSWHSUTO-MELADBBJSA-N 1 0 276.380 1.906 20 10 CDCDRO C[C@@]1(C[NH2+]Cc2c(O)cccc2Cl)CCC(=O)N1 ZINC000835059567 770236960 /nfs/dbraw/zinc/23/69/60/770236960.db2.gz BYEJWZLQQVNZRS-ZDUSSCGKSA-N 1 0 268.744 1.804 20 10 CDCDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000808229244 770306831 /nfs/dbraw/zinc/30/68/31/770306831.db2.gz OSZKAIFIGCBSQA-GFCCVEGCSA-N 1 0 288.391 1.968 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2cccc(OC)c2O)CC1=O ZINC000846094303 770379425 /nfs/dbraw/zinc/37/94/25/770379425.db2.gz SGEBCHJCIVVEPW-LLVKDONJSA-N 1 0 278.352 1.359 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000841656060 770403007 /nfs/dbraw/zinc/40/30/07/770403007.db2.gz VFJPYSKWQXGZPG-KGLIPLIRSA-N 1 0 290.411 1.822 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1O ZINC000846167850 770475062 /nfs/dbraw/zinc/47/50/62/770475062.db2.gz FSDQRPUOXKTPQW-UWVGGRQHSA-N 1 0 264.325 1.188 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)CC(C)(C)[NH3+])cc1 ZINC000084170080 770556774 /nfs/dbraw/zinc/55/67/74/770556774.db2.gz REIFUHGLRXPKBZ-UHFFFAOYSA-N 1 0 263.385 1.838 20 10 CDCDRO COc1cc(Cl)cc(CN2CCO[C@@H](C[NH3+])C2)c1O ZINC000164662145 770558115 /nfs/dbraw/zinc/55/81/15/770558115.db2.gz PJXCNLJTYPDHFD-NSHDSACASA-N 1 0 286.759 1.214 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](C)O ZINC000824921093 770691624 /nfs/dbraw/zinc/69/16/24/770691624.db2.gz FEFOYLJDACFGGF-KOLCDFICSA-N 1 0 269.341 1.658 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C2CC2)cc1 ZINC000037495213 770832432 /nfs/dbraw/zinc/83/24/32/770832432.db2.gz BJVOSILBUCQWLR-UHFFFAOYSA-N 1 0 261.369 1.463 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC000840974505 770834189 /nfs/dbraw/zinc/83/41/89/770834189.db2.gz BYTGVPJXMZYSPO-GDBMZVCRSA-N 1 0 287.359 1.721 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@]1(O)CCCOC1)CC2 ZINC000846211022 770883483 /nfs/dbraw/zinc/88/34/83/770883483.db2.gz FLPCSTGFJURHRV-CZUORRHYSA-N 1 0 277.364 1.901 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000863544664 770896876 /nfs/dbraw/zinc/89/68/76/770896876.db2.gz AVTAJHJWDZIPEM-ZBFHGGJFSA-N 1 0 277.412 1.782 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000828666900 770997858 /nfs/dbraw/zinc/99/78/58/770997858.db2.gz JWJAGARYYDKTMU-QWRGUYRKSA-N 1 0 278.352 1.578 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(F)ccc1O ZINC000094617262 771119648 /nfs/dbraw/zinc/11/96/48/771119648.db2.gz NPTJOIUWQJREFA-BXKDBHETSA-N 1 0 266.316 1.851 20 10 CDCDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1cc(F)ccc1O ZINC000927079493 771166633 /nfs/dbraw/zinc/16/66/33/771166633.db2.gz FEBCAMZLTRRVFO-PWSUYJOCSA-N 1 0 269.316 1.987 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC000827699117 771302585 /nfs/dbraw/zinc/30/25/85/771302585.db2.gz FFRGTTWZIBJZOE-ABAIWWIYSA-N 1 0 265.353 1.851 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088594 771340669 /nfs/dbraw/zinc/34/06/69/771340669.db2.gz JIFLUXBPHOYLDW-MNOVXSKESA-N 1 0 290.363 1.815 20 10 CDCDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000312032290 771431755 /nfs/dbraw/zinc/43/17/55/771431755.db2.gz YDKKRKYJEHZNGF-SWLSCSKDSA-N 1 0 266.385 1.801 20 10 CDCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000817414855 771501313 /nfs/dbraw/zinc/50/13/13/771501313.db2.gz PJPSTXQMMRLKDQ-PBHICJAKSA-N 1 0 290.407 1.868 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000827500571 771536166 /nfs/dbraw/zinc/53/61/66/771536166.db2.gz DDVQIKIBDCUOPO-BETUJISGSA-N 1 0 262.353 1.794 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000815105781 771599759 /nfs/dbraw/zinc/59/97/59/771599759.db2.gz KYNHPSCKIGBIFG-MRXNPFEDSA-N 1 0 275.396 1.840 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)ccc2O)C[C@H]1C ZINC000250355019 771615301 /nfs/dbraw/zinc/61/53/01/771615301.db2.gz RZCSHLBXRQIYCT-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000883269289 771635394 /nfs/dbraw/zinc/63/53/94/771635394.db2.gz FIQWZFZVSUTYHB-ZDUSSCGKSA-N 1 0 291.347 1.935 20 10 CDCDRO Cc1ccc(C[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)c(O)c1 ZINC000877487054 771654476 /nfs/dbraw/zinc/65/44/76/771654476.db2.gz BONWLFDXUBDNNV-KGLIPLIRSA-N 1 0 278.396 1.588 20 10 CDCDRO Cc1cc(C[NH2+][C@@H](CO)C2CCOCC2)ccc1N(C)C ZINC000815092097 771804056 /nfs/dbraw/zinc/80/40/56/771804056.db2.gz WWBCKGOXLCCEEC-INIZCTEOSA-N 1 0 292.423 1.938 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c(O)c1 ZINC000841078575 771838331 /nfs/dbraw/zinc/83/83/31/771838331.db2.gz JAGHELHKTMSCGF-RYUDHWBXSA-N 1 0 268.332 1.581 20 10 CDCDRO CC1(C(=O)NCCCSc2nccs2)C[NH2+]C1 ZINC000817942079 771890710 /nfs/dbraw/zinc/89/07/10/771890710.db2.gz WOTZPAGGJFVUQO-UHFFFAOYSA-N 1 0 271.411 1.351 20 10 CDCDRO CCC[NH2+]CCN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817963709 771892719 /nfs/dbraw/zinc/89/27/19/771892719.db2.gz XGTFLSFJAQQVLM-NSHDSACASA-N 1 0 280.368 1.829 20 10 CDCDRO O=C1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1 ZINC000396735234 771896261 /nfs/dbraw/zinc/89/62/61/771896261.db2.gz UWXOLLSVTRTXSO-CYBMUJFWSA-N 1 0 260.337 1.380 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C2(CO)CC2)c1O ZINC000827903063 772015824 /nfs/dbraw/zinc/01/58/24/772015824.db2.gz AKZPJKWOCJUQTR-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[NH2+]C ZINC000851682128 772047409 /nfs/dbraw/zinc/04/74/09/772047409.db2.gz ULFZOMKLNPISSE-CYBMUJFWSA-N 1 0 292.427 1.892 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000710868657 772075231 /nfs/dbraw/zinc/07/52/31/772075231.db2.gz DBMZWPAVSLZWND-MPKXVKKWSA-N 1 0 251.326 1.501 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000872140930 772274764 /nfs/dbraw/zinc/27/47/64/772274764.db2.gz DTARKAUPRRUGMT-BZUAXINKSA-N 1 0 278.396 1.943 20 10 CDCDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000862387126 772312845 /nfs/dbraw/zinc/31/28/45/772312845.db2.gz HEBKKNNCETXQEL-SNVBAGLBSA-N 1 0 298.339 1.902 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841987316 772330668 /nfs/dbraw/zinc/33/06/68/772330668.db2.gz MDWWZVLROJEONX-LBPRGKRZSA-N 1 0 290.411 1.774 20 10 CDCDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817941175 772334712 /nfs/dbraw/zinc/33/47/12/772334712.db2.gz NBTZDZSTKNLVTP-SNVBAGLBSA-N 1 0 279.340 1.951 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000093520834 772334873 /nfs/dbraw/zinc/33/48/73/772334873.db2.gz SKTXATLFCQFPHY-UHFFFAOYSA-N 1 0 284.425 1.665 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1O ZINC000843352143 772336708 /nfs/dbraw/zinc/33/67/08/772336708.db2.gz RAQBLZGUUMBRSV-UWVGGRQHSA-N 1 0 280.343 1.916 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(O)c1 ZINC000877497139 772390200 /nfs/dbraw/zinc/39/02/00/772390200.db2.gz GWGJHOPYMYWUTM-OLZOCXBDSA-N 1 0 276.336 1.631 20 10 CDCDRO Cn1cc(CCN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000700899880 772440917 /nfs/dbraw/zinc/44/09/17/772440917.db2.gz XLNAPRFIGNKNRS-UHFFFAOYSA-N 1 0 270.380 1.874 20 10 CDCDRO O=C(NCCN1CC=CCC1)C1=CC(=O)CS1 ZINC000795758232 772451003 /nfs/dbraw/zinc/45/10/03/772451003.db2.gz JAZOIEKEWLWNNB-UHFFFAOYSA-N 1 0 252.339 1.445 20 10 CDCDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(F)ccc1O ZINC000840882149 772451786 /nfs/dbraw/zinc/45/17/86/772451786.db2.gz GJSROWDZTJVHOO-SECBINFHSA-N 1 0 287.356 1.759 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955607 772522863 /nfs/dbraw/zinc/52/28/63/772522863.db2.gz HYNVIMLIVJIVJE-DOMZBBRYSA-N 1 0 290.411 1.723 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC000922220951 772527525 /nfs/dbraw/zinc/52/75/25/772527525.db2.gz DJEKJNWRBCXIQY-CQSZACIVSA-N 1 0 288.391 1.970 20 10 CDCDRO C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849728 772560345 /nfs/dbraw/zinc/56/03/45/772560345.db2.gz VEXMUDIWKGQPST-BBRMVZONSA-N 1 0 287.407 1.711 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000877052196 772567177 /nfs/dbraw/zinc/56/71/77/772567177.db2.gz QEBKKUJGPIZJEU-GFCCVEGCSA-N 1 0 262.353 1.800 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2OCCO2)c1 ZINC000180251171 772576046 /nfs/dbraw/zinc/57/60/46/772576046.db2.gz WPYNZYOOIQPJPA-VIFPVBQESA-N 1 0 253.298 1.424 20 10 CDCDRO COC(=O)N1CCC(C[NH2+]Cc2ccccc2O)CC1 ZINC000796500545 772581802 /nfs/dbraw/zinc/58/18/02/772581802.db2.gz OISHBEVHKQDNDM-UHFFFAOYSA-N 1 0 278.352 1.960 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](CO)(COC)C2)c1 ZINC000825158536 772598477 /nfs/dbraw/zinc/59/84/77/772598477.db2.gz OZTSBZWPOBTJQO-MRXNPFEDSA-N 1 0 295.379 1.622 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000797414118 772660184 /nfs/dbraw/zinc/66/01/84/772660184.db2.gz VCCYEWNQBKJJSZ-INIZCTEOSA-N 1 0 292.379 1.667 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(O)c1O ZINC000300548683 772662183 /nfs/dbraw/zinc/66/21/83/772662183.db2.gz NRBNEPDHRJZTKV-LLVKDONJSA-N 1 0 278.352 1.654 20 10 CDCDRO Cc1cccc(O)c1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000876688702 772723754 /nfs/dbraw/zinc/72/37/54/772723754.db2.gz VYOASUSSSKUQLJ-RDJZCZTQSA-N 1 0 290.407 1.732 20 10 CDCDRO O=C1[C@H]([NH2+]Cc2ccccc2O)C[C@@H]2CCCCN12 ZINC000835075699 772777141 /nfs/dbraw/zinc/77/71/41/772777141.db2.gz ZOUIASPWPMMKFI-QWHCGFSZSA-N 1 0 260.337 1.635 20 10 CDCDRO CC[C@@H](O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877111980 772785044 /nfs/dbraw/zinc/78/50/44/772785044.db2.gz PVVKNGCJPYDKMH-MRXNPFEDSA-N 1 0 292.423 1.898 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894307861 772790730 /nfs/dbraw/zinc/79/07/30/772790730.db2.gz NMPLUIXFQHRUAU-LBPRGKRZSA-N 1 0 283.368 1.850 20 10 CDCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180227511 772819972 /nfs/dbraw/zinc/81/99/72/772819972.db2.gz LIFHYZRUKWZYNF-JTQLQIEISA-N 1 0 266.316 1.619 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(F)ccc1O ZINC000834908901 772856627 /nfs/dbraw/zinc/85/66/27/772856627.db2.gz MQOMFVQOMMBREQ-XPTSAGLGSA-N 1 0 266.316 1.851 20 10 CDCDRO Cc1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c(O)c1 ZINC000877008031 772875860 /nfs/dbraw/zinc/87/58/60/772875860.db2.gz DSXROBQCPBBDHZ-UHFFFAOYSA-N 1 0 286.397 1.118 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCCN(CC)C2=O)c(O)c1 ZINC000922641143 772893888 /nfs/dbraw/zinc/89/38/88/772893888.db2.gz YDRLEXPWBUQLOK-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO CC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000035011575 772911667 /nfs/dbraw/zinc/91/16/67/772911667.db2.gz RTQOGFGUIQNJRU-UHFFFAOYSA-N 1 0 275.396 1.853 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC000802660833 772931903 /nfs/dbraw/zinc/93/19/03/772931903.db2.gz XIYSVLRZOMPPHR-AWEZNQCLSA-N 1 0 269.316 1.697 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1F ZINC000874250483 772946104 /nfs/dbraw/zinc/94/61/04/772946104.db2.gz UBLFYSDKCGPWRM-UHFFFAOYSA-N 1 0 293.386 1.850 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000104901000 772961813 /nfs/dbraw/zinc/96/18/13/772961813.db2.gz RYONOWQHLZZYIR-GWCFXTLKSA-N 1 0 278.352 1.672 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000794716391 772976415 /nfs/dbraw/zinc/97/64/15/772976415.db2.gz RWSWYYYKIMEDOZ-OAHLLOKOSA-N 1 0 278.352 1.407 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)[NH2+]1 ZINC000843051486 772991627 /nfs/dbraw/zinc/99/16/27/772991627.db2.gz JHXCKTILCNECPQ-HUUCEWRRSA-N 1 0 289.423 1.705 20 10 CDCDRO CON(C)C(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000808748236 772993964 /nfs/dbraw/zinc/99/39/64/772993964.db2.gz KSSHAELXKLVMCC-GFCCVEGCSA-N 1 0 279.384 1.813 20 10 CDCDRO CCn1nccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000119224186 773023476 /nfs/dbraw/zinc/02/34/76/773023476.db2.gz WPYCIYIPVQBZEV-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000775748392 773026477 /nfs/dbraw/zinc/02/64/77/773026477.db2.gz XZWHXOWRUOAIKC-VXGBXAGGSA-N 1 0 278.352 1.061 20 10 CDCDRO Cc1cc(O)c(CN2CC[N@@H+](C)C[C@@H]2CO)cc1Cl ZINC000877643862 773039153 /nfs/dbraw/zinc/03/91/53/773039153.db2.gz KITNTGDYMWHAQV-GFCCVEGCSA-N 1 0 284.787 1.462 20 10 CDCDRO Cc1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000852927416 773085396 /nfs/dbraw/zinc/08/53/96/773085396.db2.gz HCRSUPHQACTYSV-KRWDZBQOSA-N 1 0 298.390 1.971 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000776253579 773091822 /nfs/dbraw/zinc/09/18/22/773091822.db2.gz YFTJGWGGUBGESR-OLZOCXBDSA-N 1 0 278.352 1.405 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1 ZINC000840825775 773154443 /nfs/dbraw/zinc/15/44/43/773154443.db2.gz LHZIEALZYOKOSQ-RYUDHWBXSA-N 1 0 262.353 1.877 20 10 CDCDRO COc1cccc(O)c1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000817412269 773298448 /nfs/dbraw/zinc/29/84/48/773298448.db2.gz HMOXKOWUZKHURU-NWDGAFQWSA-N 1 0 265.353 1.851 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CO)CCOC)c(O)c1 ZINC000798505720 773307124 /nfs/dbraw/zinc/30/71/24/773307124.db2.gz UXLWRHFBGDEUHN-GFCCVEGCSA-N 1 0 269.341 1.278 20 10 CDCDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccccc1O ZINC000783522429 773319408 /nfs/dbraw/zinc/31/94/08/773319408.db2.gz NUBFAWKVUUGCCF-LLVKDONJSA-N 1 0 260.341 1.897 20 10 CDCDRO CCC[C@H](CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000716934662 773333283 /nfs/dbraw/zinc/33/32/83/773333283.db2.gz MTFYQIJQQHEJIK-LLVKDONJSA-N 1 0 267.325 1.762 20 10 CDCDRO COc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000794391066 773356658 /nfs/dbraw/zinc/35/66/58/773356658.db2.gz UDGQBFWWLXPFDH-TXEJJXNPSA-N 1 0 292.379 1.890 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(c3cccnn3)CC2)c(O)c1 ZINC000876664661 773395153 /nfs/dbraw/zinc/39/51/53/773395153.db2.gz DCSHDLRAVYNKHG-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO Cc1nccn1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841772348 773501236 /nfs/dbraw/zinc/50/12/36/773501236.db2.gz ZNFOSGVXIRIXNW-UHFFFAOYSA-N 1 0 287.367 1.316 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccccc1O ZINC000717355558 773560702 /nfs/dbraw/zinc/56/07/02/773560702.db2.gz VJEZKOXBXKKGOW-YPMHNXCESA-N 1 0 252.358 1.355 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)CC2CC2)c(O)c1 ZINC001249171129 912460071 /nfs/dbraw/zinc/46/00/71/912460071.db2.gz AFTXNVRSEBUFGI-UHFFFAOYSA-N 1 0 263.337 1.950 20 10 CDCDRO COc1cc(CN2[C@@H](C)CC[C@H]2C[NH3+])c(O)cc1O ZINC001205076823 912795411 /nfs/dbraw/zinc/79/54/11/912795411.db2.gz WQEPKRFPPUDMIA-ONGXEEELSA-N 1 0 266.341 1.418 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)cc1O ZINC001233483365 912819520 /nfs/dbraw/zinc/81/95/20/912819520.db2.gz XGMXBCWTTHJNMN-NXEZZACHSA-N 1 0 271.288 1.098 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc2c(c1)OCCN2C ZINC001209873812 894885737 /nfs/dbraw/zinc/88/57/37/894885737.db2.gz GPCFOMDKMSQWBB-BETUJISGSA-N 1 0 275.396 1.697 20 10 CDCDRO O=S1(=O)CCCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000694583680 898555673 /nfs/dbraw/zinc/55/56/73/898555673.db2.gz GNNUJVMGKLRGTK-CHWSQXEVSA-N 1 0 295.404 1.936 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311954027 899126195 /nfs/dbraw/zinc/12/61/95/899126195.db2.gz YGLJHKFYIOADAE-NVBFEUDRSA-N 1 0 263.337 1.509 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H]2C[NH+](C)C)c(OC)c1 ZINC001141028320 899328048 /nfs/dbraw/zinc/32/80/48/899328048.db2.gz KQLMABIMWSNOSV-LBPRGKRZSA-N 1 0 294.395 1.935 20 10 CDCDRO O=C1CC[C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCN12 ZINC001172148783 911360963 /nfs/dbraw/zinc/36/09/63/911360963.db2.gz BVCUPMACFLKLKB-CABCVRRESA-N 1 0 286.375 1.865 20 10 CDCDRO O=C1CC[C@@H]2C[C@H]([NH2+]Cc3cccc(O)c3O)CCN12 ZINC001172164993 911412190 /nfs/dbraw/zinc/41/21/90/911412190.db2.gz LRBIBFMZFJAZJA-VXGBXAGGSA-N 1 0 276.336 1.341 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cc(O)c(O)c(O)c2)CC[C@H]1F ZINC001206185179 912128721 /nfs/dbraw/zinc/12/87/21/912128721.db2.gz LIFIPTVDHPICOX-ZJUUUORDSA-N 1 0 270.304 1.065 20 10 CDCDRO COc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c([O-])c1Cl ZINC001236800653 916477322 /nfs/dbraw/zinc/47/73/22/916477322.db2.gz CCSITQXERPADMQ-SNVBAGLBSA-N 1 0 287.743 1.247 20 10 CDCDRO Oc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)c1 ZINC001204277327 916570560 /nfs/dbraw/zinc/57/05/60/916570560.db2.gz ZMPKXOREMKVUST-RYUDHWBXSA-N 1 0 255.289 1.393 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[NH2+]CC2CC2)c1 ZINC000828667875 936382658 /nfs/dbraw/zinc/38/26/58/936382658.db2.gz VRYQBCGVCLSODK-SNVBAGLBSA-N 1 0 278.352 1.578 20 10 CDCDRO CCc1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206445327 916928136 /nfs/dbraw/zinc/92/81/36/916928136.db2.gz OFUNXMCPJJYZQF-STQMWFEESA-N 1 0 252.333 1.826 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1F ZINC001137841780 936420218 /nfs/dbraw/zinc/42/02/18/936420218.db2.gz VBVMUYJSQYTECX-QWRGUYRKSA-N 1 0 250.317 1.810 20 10 CDCDRO COCCC[NH+]1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238060336 917784941 /nfs/dbraw/zinc/78/49/41/917784941.db2.gz AASJVPOOLFLDTI-UHFFFAOYSA-N 1 0 296.386 1.994 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)cc(O)c1O ZINC001204342989 917891764 /nfs/dbraw/zinc/89/17/64/917891764.db2.gz PBUBWQXCKUTTSS-MNOVXSKESA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cccc(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)c1O ZINC001203596841 919268793 /nfs/dbraw/zinc/26/87/93/919268793.db2.gz ONJRLJPRIKXOTD-OCCSQVGLSA-N 1 0 276.380 1.927 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCCCO3)cc2)CC1 ZINC001139404466 936618041 /nfs/dbraw/zinc/61/80/41/936618041.db2.gz IMJSAIYHPQBRAD-UHFFFAOYSA-N 1 0 275.396 1.966 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@@H+](C)C2)c(O)c1 ZINC001186364590 919998615 /nfs/dbraw/zinc/99/86/15/919998615.db2.gz QTVRGRDETXWKHC-ZDUSSCGKSA-N 1 0 276.380 1.967 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001140744102 936748801 /nfs/dbraw/zinc/74/88/01/936748801.db2.gz LYWZCMOGIBRESC-ZUZCIYMTSA-N 1 0 265.353 1.999 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC(CO)C2)c(O)c1 ZINC001140855444 936764766 /nfs/dbraw/zinc/76/47/66/936764766.db2.gz ZHHJOCFKSKESJB-UHFFFAOYSA-N 1 0 264.369 1.663 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c1 ZINC001140950108 936783171 /nfs/dbraw/zinc/78/31/71/936783171.db2.gz NKQQUUBFJAXVOU-OLZOCXBDSA-N 1 0 260.337 1.221 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)c(O)c1 ZINC001140950767 936783330 /nfs/dbraw/zinc/78/33/30/936783330.db2.gz HNAIRYVXNRPXPG-UHFFFAOYSA-N 1 0 291.395 1.082 20 10 CDCDRO CNC(=O)C[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074807 936808859 /nfs/dbraw/zinc/80/88/59/936808859.db2.gz UAWZGHZDJSMOQZ-UHFFFAOYSA-N 1 0 287.407 1.563 20 10 CDCDRO O=C1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCN1 ZINC001141074401 936809180 /nfs/dbraw/zinc/80/91/80/936809180.db2.gz HMHJXXKOSDYVAC-UHFFFAOYSA-N 1 0 299.418 1.707 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](CO)C3)ccc21 ZINC001141139040 936818960 /nfs/dbraw/zinc/81/89/60/936818960.db2.gz HEPSUIULSOIQRF-AWEZNQCLSA-N 1 0 276.380 1.720 20 10 CDCDRO O=C1OCCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141162434 936822958 /nfs/dbraw/zinc/82/29/58/936822958.db2.gz RJSVALKRVDABNL-UHFFFAOYSA-N 1 0 277.320 1.627 20 10 CDCDRO CC[C@H]([NH2+]Cc1c(O)cccc1Cl)C(=O)NC ZINC000697828785 923962896 /nfs/dbraw/zinc/96/28/96/923962896.db2.gz ZAHOVSUCSGMKJR-JTQLQIEISA-N 1 0 256.733 1.660 20 10 CDCDRO C=CS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001198627014 925481975 /nfs/dbraw/zinc/48/19/75/925481975.db2.gz AHNHMONRRGXXPN-UHFFFAOYSA-N 1 0 295.408 1.001 20 10 CDCDRO C[NH+](C)[C@H]1CCN(Cc2cc(F)c(F)cc2O)C1 ZINC001142502834 937023405 /nfs/dbraw/zinc/02/34/05/937023405.db2.gz YLDRPDCDZRTCSB-JTQLQIEISA-N 1 0 256.296 1.806 20 10 CDCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCS(=O)(=O)CC1 ZINC000689925189 926562884 /nfs/dbraw/zinc/56/28/84/926562884.db2.gz ABWBPPDHEQWNMY-UHFFFAOYSA-N 1 0 296.436 1.939 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001168969093 927592440 /nfs/dbraw/zinc/59/24/40/927592440.db2.gz CBHOZOCXWVBMSP-MWLCHTKSSA-N 1 0 296.323 1.381 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)CC(C)(C)[NH3+])c1O ZINC000852755013 927861991 /nfs/dbraw/zinc/86/19/91/927861991.db2.gz TXABDHIGEBMAMX-UHFFFAOYSA-N 1 0 268.332 1.903 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000886743051 930951723 /nfs/dbraw/zinc/95/17/23/930951723.db2.gz RUZCHGBXOGBQHH-OAHLLOKOSA-N 1 0 290.411 1.819 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)C=CC2 ZINC001170995425 931197716 /nfs/dbraw/zinc/19/77/16/931197716.db2.gz KIGVSCVMGQKSSW-UHFFFAOYSA-N 1 0 260.337 1.584 20 10 CDCDRO C[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H]1CO ZINC001144499184 931858545 /nfs/dbraw/zinc/85/85/45/931858545.db2.gz DLRACCDNALZZGX-BXKDBHETSA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC001144500315 931859598 /nfs/dbraw/zinc/85/95/98/931859598.db2.gz RYRLICSEYBAZRP-UHFFFAOYSA-N 1 0 251.282 1.026 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC001144503804 931863770 /nfs/dbraw/zinc/86/37/70/931863770.db2.gz DHVJAILOTJLFPC-NSHDSACASA-N 1 0 293.241 1.303 20 10 CDCDRO CC(C)N1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1C ZINC001144515533 931878717 /nfs/dbraw/zinc/87/87/17/931878717.db2.gz ARKPNUXGSAUUFT-NSHDSACASA-N 1 0 280.368 1.718 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCc3nccn3CC2)c(O)c1 ZINC001144515657 931880606 /nfs/dbraw/zinc/88/06/06/931880606.db2.gz UNIQIBALDIGAJZ-UHFFFAOYSA-N 1 0 275.308 1.058 20 10 CDCDRO C[S@](=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000134742220 937578334 /nfs/dbraw/zinc/57/83/34/937578334.db2.gz XAWQJFPJNMTTKY-GOSISDBHSA-N 1 0 266.410 1.755 20 10 CDCDRO COc1ccc(N(CC[NH3+])CCO)cc1C(C)C ZINC001163836096 939339733 /nfs/dbraw/zinc/33/97/33/939339733.db2.gz MFUKNMWDMRNHNI-UHFFFAOYSA-N 1 0 252.358 1.576 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC001203549917 939692877 /nfs/dbraw/zinc/69/28/77/939692877.db2.gz CRSLXCDQYLOCNV-UHFFFAOYSA-N 1 0 264.325 1.666 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c(O)c1 ZINC001203620796 939697209 /nfs/dbraw/zinc/69/72/09/939697209.db2.gz IKBOIVWUBPWRKT-IAQYHMDHSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874977 939710413 /nfs/dbraw/zinc/71/04/13/939710413.db2.gz GFZHPNDHSDWSTN-JQWIXIFHSA-N 1 0 251.326 1.691 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882518 939711598 /nfs/dbraw/zinc/71/15/98/939711598.db2.gz KDKNHRQVIORHDN-ZYHUDNBSSA-N 1 0 279.336 1.729 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(O)c1 ZINC001204276570 939750759 /nfs/dbraw/zinc/75/07/59/939750759.db2.gz NKCWNKAQHHWMSJ-AWEZNQCLSA-N 1 0 269.316 1.784 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001205787392 939936373 /nfs/dbraw/zinc/93/63/73/939936373.db2.gz GKVCEXOEDPMCFQ-VIFPVBQESA-N 1 0 288.294 1.219 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2cc(F)c(F)cc2O)CC(F)(F)C1 ZINC001206130851 939984360 /nfs/dbraw/zinc/98/43/60/939984360.db2.gz CAIVRRAZLPRVMI-QMMMGPOBSA-N 1 0 278.249 1.839 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C[C@H](O)C2)cc1 ZINC001210400800 940688774 /nfs/dbraw/zinc/68/87/74/940688774.db2.gz UHOMQZJNZFIHST-SFHVURJKSA-N 1 0 299.418 1.860 20 10 CDCDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000400752419 940854609 /nfs/dbraw/zinc/85/46/09/940854609.db2.gz DHFCBDDCRXEHCG-CMPLNLGQSA-N 1 0 250.342 1.772 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000402041759 940887265 /nfs/dbraw/zinc/88/72/65/940887265.db2.gz JBOVQLRSHNDLQV-UKRRQHHQSA-N 1 0 276.380 1.790 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(CCF)CC2)c1 ZINC000402798465 940909772 /nfs/dbraw/zinc/90/97/72/940909772.db2.gz WOZVMGZYLAVHDC-UHFFFAOYSA-N 1 0 252.333 1.788 20 10 CDCDRO O[C@@H]1C[NH2+][C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217718482 941009923 /nfs/dbraw/zinc/00/99/23/941009923.db2.gz KVMUAJRUDANDNV-KBPBESRZSA-N 1 0 296.330 1.923 20 10 CDCDRO Nc1cccc2c1N(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC001219439054 941345475 /nfs/dbraw/zinc/34/54/75/941345475.db2.gz CVAJMMVEDCOLNX-UHFFFAOYSA-N 1 0 257.337 1.468 20 10 CDCDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)NCc1ccccc1O ZINC001219923701 941396516 /nfs/dbraw/zinc/39/65/16/941396516.db2.gz XXZGTESTLFEVSL-JQWIXIFHSA-N 1 0 250.342 1.772 20 10 CDCDRO C[NH+](C)CCCCCNC(=O)Cc1ccc(N)cc1 ZINC001219920492 941396944 /nfs/dbraw/zinc/39/69/44/941396944.db2.gz GSVQPAPHEWCDSE-UHFFFAOYSA-N 1 0 263.385 1.659 20 10 CDCDRO CN1CCCc2cc(C[NH+]3CC4(C[C@H]4C(N)=O)C3)ccc21 ZINC001277254513 942245731 /nfs/dbraw/zinc/24/57/31/942245731.db2.gz UTPVEVVFPHKODC-AWEZNQCLSA-N 1 0 285.391 1.376 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC001231848085 943029516 /nfs/dbraw/zinc/02/95/16/943029516.db2.gz GGVVCHOMVXFYJW-IYBDPMFKSA-N 1 0 294.395 1.607 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC001232836754 943413729 /nfs/dbraw/zinc/41/37/29/943413729.db2.gz SUIMWJCAOKUWQI-CQSZACIVSA-N 1 0 250.342 1.415 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001232838057 943415226 /nfs/dbraw/zinc/41/52/26/943415226.db2.gz AGNGQDCLKWVHNM-UHFFFAOYSA-N 1 0 262.353 1.823 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)c(O)c1 ZINC001232840815 943417279 /nfs/dbraw/zinc/41/72/79/943417279.db2.gz KLCHMUDQAZDMJO-UHFFFAOYSA-N 1 0 275.396 1.596 20 10 CDCDRO CC(C)[NH+]1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009814 943459813 /nfs/dbraw/zinc/45/98/13/943459813.db2.gz CCSDEPWDOPSPBR-UHFFFAOYSA-N 1 0 266.341 1.329 20 10 CDCDRO C[N@H+](CCc1ccncc1)Cc1cc(O)c(O)c(O)c1 ZINC001233014106 943463499 /nfs/dbraw/zinc/46/34/99/943463499.db2.gz ZHZSVXOLYVBTQI-UHFFFAOYSA-N 1 0 274.320 1.873 20 10 CDCDRO Oc1cc(C[N@@H+]2CCC[C@H](CF)C2)cc(O)c1O ZINC001233014018 943463677 /nfs/dbraw/zinc/46/36/77/943463677.db2.gz WSTWWHRDVMGGED-SECBINFHSA-N 1 0 255.289 1.985 20 10 CDCDRO CCOC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485483 943592437 /nfs/dbraw/zinc/59/24/37/943592437.db2.gz XLJXZXCAKNENLL-UHFFFAOYSA-N 1 0 267.325 1.804 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485358 943593019 /nfs/dbraw/zinc/59/30/19/943593019.db2.gz SCRVUMZHLAPGSY-LLVKDONJSA-N 1 0 266.341 1.329 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)[C@H]1C ZINC001233485903 943593716 /nfs/dbraw/zinc/59/37/16/943593716.db2.gz PQPQJVRSEWUACY-ONGXEEELSA-N 1 0 295.335 1.577 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487664 943595140 /nfs/dbraw/zinc/59/51/40/943595140.db2.gz NKPFEVJAMYNFEL-JTQLQIEISA-N 1 0 295.335 1.579 20 10 CDCDRO CO[C@@H](C)C1C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487129 943595732 /nfs/dbraw/zinc/59/57/32/943595732.db2.gz RCPQTHLNAPFNBX-QMMMGPOBSA-N 1 0 253.298 1.270 20 10 CDCDRO C[C@@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)c1ccccc1O ZINC001263175662 943775441 /nfs/dbraw/zinc/77/54/41/943775441.db2.gz IQNTZOBWTIIVKN-IAQYHMDHSA-N 1 0 278.352 1.074 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@H](C)C[NH+](C)C ZINC001234474229 943857003 /nfs/dbraw/zinc/85/70/03/943857003.db2.gz PFSDCZYXPNRHEF-MRVPVSSYSA-N 1 0 253.298 1.629 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1O ZINC001235001240 944003769 /nfs/dbraw/zinc/00/37/69/944003769.db2.gz LCAZDNDIIMLTRJ-NVXWUHKLSA-N 1 0 299.370 1.844 20 10 CDCDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000385893165 944092561 /nfs/dbraw/zinc/09/25/61/944092561.db2.gz DOJNXEUWPVVVIA-ZDUSSCGKSA-N 1 0 253.342 1.491 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)c(C)cc1O ZINC001236202192 944429809 /nfs/dbraw/zinc/42/98/09/944429809.db2.gz RNYVHCUOJJJZGW-PWSUYJOCSA-N 1 0 298.770 1.429 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236293607 944451942 /nfs/dbraw/zinc/45/19/42/944451942.db2.gz YSPTYNOITXUTCR-ZFWWWQNUSA-N 1 0 275.396 1.642 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001236782524 944566617 /nfs/dbraw/zinc/56/66/17/944566617.db2.gz CABCXFBILYIHFU-HNNXBMFYSA-N 1 0 265.353 1.538 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001236810204 944576064 /nfs/dbraw/zinc/57/60/64/944576064.db2.gz DFOMBVQJTDDEHR-GFCCVEGCSA-N 1 0 290.363 1.516 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c1 ZINC001236820979 944581292 /nfs/dbraw/zinc/58/12/92/944581292.db2.gz PVGGHFWFTLPZNB-GFCCVEGCSA-N 1 0 278.352 1.420 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC2COC2)c(O)c1 ZINC001237042751 944642860 /nfs/dbraw/zinc/64/28/60/944642860.db2.gz GTUILKCNBMDXCI-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO Oc1cc(O)c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237410297 944762904 /nfs/dbraw/zinc/76/29/04/944762904.db2.gz COEQQRICMAMGFM-PWSUYJOCSA-N 1 0 278.352 1.377 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001237486224 944810902 /nfs/dbraw/zinc/81/09/02/944810902.db2.gz YQCWUOXOZPWALJ-CABCVRRESA-N 1 0 265.353 1.266 20 10 CDCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237496489 944817589 /nfs/dbraw/zinc/81/75/89/944817589.db2.gz YVACMZORBUUVHF-CYBMUJFWSA-N 1 0 292.379 1.428 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c(OC)c1 ZINC001237680833 944923310 /nfs/dbraw/zinc/92/33/10/944923310.db2.gz MDJXVLSOVJYFJV-GFCCVEGCSA-N 1 0 294.351 1.120 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2cc(F)cc(C)c2O)C1 ZINC001238063497 945045247 /nfs/dbraw/zinc/04/52/47/945045247.db2.gz XCRJQMLMSBTJPC-UHFFFAOYSA-N 1 0 267.300 1.835 20 10 CDCDRO CC(=O)N1CC=C(c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001241968818 946538696 /nfs/dbraw/zinc/53/86/96/946538696.db2.gz OIZPNSUSGYPMIC-UHFFFAOYSA-N 1 0 285.391 1.732 20 10 CDCDRO CC[NH+](CC)CC[C@@H](C)NCC(=O)c1ccc(O)c(O)c1 ZINC001255949486 948135223 /nfs/dbraw/zinc/13/52/23/948135223.db2.gz XCWFAYPYLRKKPT-GFCCVEGCSA-N 1 0 294.395 1.991 20 10 CDCDRO O=C(CNC1CC[NH+](C2CC2)CC1)c1ccc(O)c(O)c1 ZINC001256069866 948193096 /nfs/dbraw/zinc/19/30/96/948193096.db2.gz ODFYFVXVLICQJP-UHFFFAOYSA-N 1 0 290.363 1.497 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001257029252 948485994 /nfs/dbraw/zinc/48/59/94/948485994.db2.gz FDCHUKDXPIINPN-NEPJUHHUSA-N 1 0 279.336 1.919 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001257043632 948495986 /nfs/dbraw/zinc/49/59/86/948495986.db2.gz XSQIVPZUDQZQSI-PWSUYJOCSA-N 1 0 279.336 1.919 20 10 CDCDRO C[C@@H]1CC([NH2+]CC(=O)c2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC001257081344 948521782 /nfs/dbraw/zinc/52/17/82/948521782.db2.gz OSLWZQYPXDIUGV-NXEZZACHSA-N 1 0 279.336 1.826 20 10 CDCDRO COC(=O)CC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258345826 948766098 /nfs/dbraw/zinc/76/60/98/948766098.db2.gz KKIVRYBYKGTGOQ-RNCFNFMXSA-N 1 0 283.324 1.063 20 10 CDCDRO CCOC[C@@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252034339 951081424 /nfs/dbraw/zinc/08/14/24/951081424.db2.gz OUCVNYHWCDGONQ-HNNXBMFYSA-N 1 0 266.385 1.582 20 10 CDCDRO CC(C)(O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252355723 951213471 /nfs/dbraw/zinc/21/34/71/951213471.db2.gz LDPIDQYOXUWPPC-UHFFFAOYSA-N 1 0 251.326 1.617 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CN1CCc2cccc(O)c2C1 ZINC001253192944 951790818 /nfs/dbraw/zinc/79/08/18/951790818.db2.gz CEGAHCJSKSWVPJ-AWEZNQCLSA-N 1 0 278.396 1.453 20 10 CDCDRO CCOC(=O)C[C@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001253810332 952131797 /nfs/dbraw/zinc/13/17/97/952131797.db2.gz CJDFFNPXDODHFE-LBPRGKRZSA-N 1 0 281.352 1.413 20 10 CDCDRO C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001327840618 955071004 /nfs/dbraw/zinc/07/10/04/955071004.db2.gz PWAADGDUJKOXOR-ZJUUUORDSA-N 1 0 267.329 1.807 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC(=O)NCC(C)C)c1O ZINC001329675555 956055083 /nfs/dbraw/zinc/05/50/83/956055083.db2.gz PUZRKAZFVJWTHX-NSHDSACASA-N 1 0 280.368 1.824 20 10 CDCDRO O=C(NC[C@@H]1C[NH+]2CCC1CC2)C1=CC(=O)CS1 ZINC001304527096 956199216 /nfs/dbraw/zinc/19/92/16/956199216.db2.gz ZVDAATBYZFCMIU-SNVBAGLBSA-N 1 0 266.366 1.525 20 10 CDCDRO CC(C)c1ccc(O)c(C[NH+]2CCN(CC(N)=O)CC2)c1 ZINC001308621696 956554507 /nfs/dbraw/zinc/55/45/07/956554507.db2.gz APYXUVZITNBMAT-UHFFFAOYSA-N 1 0 291.395 1.119 20 10 CDCDRO COc1cc(C)c(C[NH2+]CCC2(CO)CC2)c(O)c1 ZINC001308766665 956574650 /nfs/dbraw/zinc/57/46/50/956574650.db2.gz RWGFUCGNCUXQOP-UHFFFAOYSA-N 1 0 265.353 1.961 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccnc(N)c2)cc1 ZINC001332047222 957414099 /nfs/dbraw/zinc/41/40/99/957414099.db2.gz HXBULQSWVHGYAN-AWEZNQCLSA-N 1 0 299.378 1.160 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001337019321 960857486 /nfs/dbraw/zinc/85/74/86/960857486.db2.gz SHTDUHFSKAOOPL-CQSZACIVSA-N 1 0 290.411 1.941 20 10 CDCDRO NC(=O)COC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001337043048 960884515 /nfs/dbraw/zinc/88/45/15/960884515.db2.gz XNUHLPAPIWIFNK-UHFFFAOYSA-N 1 0 298.770 1.512 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CC[N@@H+]1C ZINC001338731337 961966369 /nfs/dbraw/zinc/96/63/69/961966369.db2.gz GTVDRNTVJDWDAL-FZMZJTMJSA-N 1 0 276.384 1.551 20 10 CDCDRO CN(C)c1cc[nH+]c(CNC(=O)Cc2ccc(N)cc2)c1 ZINC001342466131 963745588 /nfs/dbraw/zinc/74/55/88/963745588.db2.gz SPCAWMDDGOKAJW-UHFFFAOYSA-N 1 0 284.363 1.589 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CC(C)(C)O)c1 ZINC000093414703 342428158 /nfs/dbraw/zinc/42/81/58/342428158.db2.gz HBTJDZPEIFVTEF-UHFFFAOYSA-N 1 0 253.342 1.994 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1F ZINC000271235206 282289744 /nfs/dbraw/zinc/28/97/44/282289744.db2.gz WJGZXJZHPRNOIE-AWEZNQCLSA-N 1 0 252.333 1.848 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1C ZINC000295118808 199355972 /nfs/dbraw/zinc/35/59/72/199355972.db2.gz MXGYBXZFBMTMOP-INIZCTEOSA-N 1 0 292.423 1.940 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCCN(CCCO)C2)c1O ZINC000295124821 199358189 /nfs/dbraw/zinc/35/81/89/199358189.db2.gz NTJALKXLKREAJP-HNNXBMFYSA-N 1 0 278.396 1.637 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000180681574 357283265 /nfs/dbraw/zinc/28/32/65/357283265.db2.gz GGIJNZSLPLNXPL-JTQLQIEISA-N 1 0 296.367 1.223 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2O)cc1OC ZINC000187675222 357794049 /nfs/dbraw/zinc/79/40/49/357794049.db2.gz HOJZWTPDUJSGMX-VXGBXAGGSA-N 1 0 281.352 1.803 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000192104544 358175809 /nfs/dbraw/zinc/17/58/09/358175809.db2.gz NAJNSQABSQZCKM-NWDGAFQWSA-N 1 0 275.396 1.669 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](C)CCCO)c1O ZINC000294821381 199199007 /nfs/dbraw/zinc/19/90/07/199199007.db2.gz OXHBTYPSXYHLRG-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO COc1cccc(C[NH2+]CCC(C)(C)CO)c1O ZINC000294915729 199245960 /nfs/dbraw/zinc/24/59/60/199245960.db2.gz YIMXOVKMFVYGJE-UHFFFAOYSA-N 1 0 253.342 1.899 20 10 CDCDRO COc1cccc(C[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000282434961 359600128 /nfs/dbraw/zinc/60/01/28/359600128.db2.gz ROPOVUVQBMOLRK-GOSISDBHSA-N 1 0 269.366 1.402 20 10 CDCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(F)ccc1O ZINC000226615460 359704979 /nfs/dbraw/zinc/70/49/79/359704979.db2.gz JLXAOZBMJIHEPA-VVVCHXIZSA-N 1 0 259.346 1.778 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CC(C(C)(C)O)C2)c1 ZINC000297518712 200216927 /nfs/dbraw/zinc/21/69/27/200216927.db2.gz XYFUHHJJKBCOEI-UHFFFAOYSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+](CC)CC ZINC000269204822 364156246 /nfs/dbraw/zinc/15/62/46/364156246.db2.gz MYXQCOAWIVOHMN-CYBMUJFWSA-N 1 0 294.395 1.877 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@H](COC)OC)ccc1OC ZINC000272627297 365328313 /nfs/dbraw/zinc/32/83/13/365328313.db2.gz AEFHJOXFNNIHDP-OAHLLOKOSA-N 1 0 297.395 1.983 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)NCCF ZINC000282783115 368036109 /nfs/dbraw/zinc/03/61/09/368036109.db2.gz VWDYHQPGZXDGIR-JTQLQIEISA-N 1 0 285.338 1.456 20 10 CDCDRO Cc1n[nH]c(CC[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000296469895 371439987 /nfs/dbraw/zinc/43/99/87/371439987.db2.gz OIBPCWFCEKMCOO-NSHDSACASA-N 1 0 258.325 1.638 20 10 CDCDRO CNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298691256 372242983 /nfs/dbraw/zinc/24/29/83/372242983.db2.gz CUKVFGMCXRYLCL-UHFFFAOYSA-N 1 0 263.385 1.709 20 10 CDCDRO Nc1ccc(CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237932050 376007953 /nfs/dbraw/zinc/00/79/53/376007953.db2.gz NLQPOIPPQQPVTN-VHRNVKJDSA-N 1 0 287.407 1.848 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1cc(C)ccc1O ZINC000133612800 390936961 /nfs/dbraw/zinc/93/69/61/390936961.db2.gz IFNHFEGSISRXLL-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CCCOc1ccc(C[N@H+](CCO)CCCO)c(O)c1 ZINC000093324080 390901789 /nfs/dbraw/zinc/90/17/89/390901789.db2.gz UVNOWZWUVGNQRJ-UHFFFAOYSA-N 1 0 283.368 1.358 20 10 CDCDRO CC(C)N1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000177676341 391174120 /nfs/dbraw/zinc/17/41/20/391174120.db2.gz HESDZLJCVUHNKU-ZDUSSCGKSA-N 1 0 262.353 1.833 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C2(CO)CCC2)c1 ZINC000178638919 391189946 /nfs/dbraw/zinc/18/99/46/391189946.db2.gz BGRWWHZRCCNPMM-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000179574463 391211514 /nfs/dbraw/zinc/21/15/14/391211514.db2.gz CVQMYEGYPGBUOD-CQSZACIVSA-N 1 0 295.379 1.764 20 10 CDCDRO CNC(=O)CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179578418 391212702 /nfs/dbraw/zinc/21/27/02/391212702.db2.gz XVZRUROSXVCTPZ-UHFFFAOYSA-N 1 0 262.353 1.740 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000179578981 391213030 /nfs/dbraw/zinc/21/30/30/391213030.db2.gz KVGYASHYMKFKDR-CQSZACIVSA-N 1 0 265.353 1.674 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237167841 391280784 /nfs/dbraw/zinc/28/07/84/391280784.db2.gz ICVHSCPWBVQEPN-CYBMUJFWSA-N 1 0 278.352 1.119 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000172921825 391858469 /nfs/dbraw/zinc/85/84/69/391858469.db2.gz NCKKVPPBYNTFRO-CQSZACIVSA-N 1 0 265.353 1.856 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)OCCO)c1 ZINC000288414991 392728124 /nfs/dbraw/zinc/72/81/24/392728124.db2.gz JEFKZYSLGGFTHM-UHFFFAOYSA-N 1 0 253.342 1.578 20 10 CDCDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccccc1O ZINC000020141608 171027960 /nfs/dbraw/zinc/02/79/60/171027960.db2.gz ZGLJZFAZQIIXRV-ZDUSSCGKSA-N 1 0 264.369 1.765 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)c(O)c1 ZINC000035601341 172289745 /nfs/dbraw/zinc/28/97/45/172289745.db2.gz VWIJBGBQCGHFDU-OAHLLOKOSA-N 1 0 259.305 1.921 20 10 CDCDRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccc(N)cc2)n1 ZINC000166727818 227125943 /nfs/dbraw/zinc/12/59/43/227125943.db2.gz LZCCYSGUKIWVLK-UHFFFAOYSA-N 1 0 287.367 1.208 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000176754282 261667108 /nfs/dbraw/zinc/66/71/08/261667108.db2.gz DMOAFRQDVNZMRF-AWEZNQCLSA-N 1 0 266.410 1.710 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@]2(CO)CCOC2)ccc1OC ZINC000184182853 262012143 /nfs/dbraw/zinc/01/21/43/262012143.db2.gz NECALEZHUOOXQJ-MRXNPFEDSA-N 1 0 295.379 1.473 20 10 CDCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000185226448 262047100 /nfs/dbraw/zinc/04/71/00/262047100.db2.gz SLJPXYVXVCNDKJ-QMMMGPOBSA-N 1 0 277.773 1.741 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299251200 263236335 /nfs/dbraw/zinc/23/63/35/263236335.db2.gz OVDPHIOBBHHSFJ-CYBMUJFWSA-N 1 0 277.368 1.628 20 10 CDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1O ZINC000368975404 267215456 /nfs/dbraw/zinc/21/54/56/267215456.db2.gz RAYGUIVNLZQVMN-JKOKRWQUSA-N 1 0 260.337 1.478 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000377275795 268063185 /nfs/dbraw/zinc/06/31/85/268063185.db2.gz BISDVRDVXYTPQX-GFCCVEGCSA-N 1 0 262.288 1.570 20 10 CDCDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000120432380 280067713 /nfs/dbraw/zinc/06/77/13/280067713.db2.gz UDOKYSWNIAUGOY-CZUORRHYSA-N 1 0 276.380 1.790 20 10 CDCDRO COc1cccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000529669257 281352542 /nfs/dbraw/zinc/35/25/42/281352542.db2.gz TXNHKGUZVKTTQH-IYBDPMFKSA-N 1 0 295.379 1.214 20 10 CDCDRO COCCOC[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093755232 327199940 /nfs/dbraw/zinc/19/99/40/327199940.db2.gz JJZROHSAYVRNPN-CYBMUJFWSA-N 1 0 295.379 1.886 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(F)ccc1O ZINC000228059080 333293938 /nfs/dbraw/zinc/29/39/38/333293938.db2.gz JCHNBXYDTOJYLR-RBZYPMLTSA-N 1 0 269.316 1.722 20 10 CDCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(N)cc1 ZINC000236848833 333375988 /nfs/dbraw/zinc/37/59/88/333375988.db2.gz GMSSRTSCXOIEJB-CVEARBPZSA-N 1 0 287.407 1.897 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1 ZINC000135204675 334119596 /nfs/dbraw/zinc/11/95/96/334119596.db2.gz VKVIYUQZRFAUCM-VHSXEESVSA-N 1 0 265.309 1.636 20 10 CDCDRO C[C@H]1CC[NH2+][C@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000126751403 1160164768 /nfs/dbraw/zinc/16/47/68/1160164768.db2.gz IMSVPCXNGRAMCW-AAEUAGOBSA-N 1 0 262.353 1.739 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CC(C)(CO)CO)cc1 ZINC000093502895 520891735 /nfs/dbraw/zinc/89/17/35/520891735.db2.gz AQSQZDCCDPKXDP-UHFFFAOYSA-N 1 0 294.439 1.956 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000264219792 521598777 /nfs/dbraw/zinc/59/87/77/521598777.db2.gz JSVRMOIBKZFPLE-ZDUSSCGKSA-N 1 0 262.353 1.883 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1F ZINC000278518616 522214776 /nfs/dbraw/zinc/21/47/76/522214776.db2.gz RJUAZKUGSMAIPR-OAHLLOKOSA-N 1 0 282.359 1.523 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)CO)c1O ZINC000228672155 522540528 /nfs/dbraw/zinc/54/05/28/522540528.db2.gz DIDQDQFTYWSUAN-MRVPVSSYSA-N 1 0 259.733 1.772 20 10 CDCDRO COC(=O)N1CC([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297137396 523428991 /nfs/dbraw/zinc/42/89/91/523428991.db2.gz ZFNVDLKMCDLUFA-LLVKDONJSA-N 1 0 262.309 1.420 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280294779 524748686 /nfs/dbraw/zinc/74/86/86/524748686.db2.gz OLOZOUYXZVGMMY-BLLLJJGKSA-N 1 0 293.363 1.781 20 10 CDCDRO C[C@]1(C(=O)NCCc2ccc(N)cc2)CCCC[NH2+]1 ZINC000237761344 525207324 /nfs/dbraw/zinc/20/73/24/525207324.db2.gz IWLFJSSUCCAZQP-OAHLLOKOSA-N 1 0 261.369 1.460 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000279885433 525345772 /nfs/dbraw/zinc/34/57/72/525345772.db2.gz UUVZDLKOQXHGNX-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000071407214 525353335 /nfs/dbraw/zinc/35/33/35/525353335.db2.gz HSQLOCLDFUTINM-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO Cc1cc(C(=O)NC(C)(C)C[NH3+])c(C)n1-c1ccccn1 ZINC000262546596 526263567 /nfs/dbraw/zinc/26/35/67/526263567.db2.gz MNTCUQGVLGMMKI-UHFFFAOYSA-N 1 0 286.379 1.956 20 10 CDCDRO Cc1cc(C[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])ccc1N(C)C ZINC001600197082 1174401767 /nfs/dbraw/zinc/40/17/67/1174401767.db2.gz REIDZDKSZYUFSI-OAHLLOKOSA-N 1 0 291.395 1.310 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000366459151 527476896 /nfs/dbraw/zinc/47/68/96/527476896.db2.gz FLJDIMVVCCKPLU-TZMCWYRMSA-N 1 0 259.353 1.022 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)CCOC)c(O)c1 ZINC000734846792 575387617 /nfs/dbraw/zinc/38/76/17/575387617.db2.gz RBCFPBQAWDSFCZ-HNNXBMFYSA-N 1 0 283.368 1.668 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000773753620 575837885 /nfs/dbraw/zinc/83/78/85/575837885.db2.gz LPXFZQHZYAOHKY-OAHLLOKOSA-N 1 0 275.396 1.805 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768447063 576284147 /nfs/dbraw/zinc/28/41/47/576284147.db2.gz QRCNXUNZDWQDFV-IUODEOHRSA-N 1 0 292.379 1.344 20 10 CDCDRO COc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c(O)cc1C ZINC000768445830 576284153 /nfs/dbraw/zinc/28/41/53/576284153.db2.gz JRXUQXCDSDBGFG-LBPRGKRZSA-N 1 0 278.352 1.372 20 10 CDCDRO COC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768446384 576284190 /nfs/dbraw/zinc/28/41/90/576284190.db2.gz JZYYUDAOBIQNQW-IAQYHMDHSA-N 1 0 293.363 1.676 20 10 CDCDRO CCOc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC000769483544 576357800 /nfs/dbraw/zinc/35/78/00/576357800.db2.gz OHUFRCVQRGYRKS-HIFRSBDPSA-N 1 0 292.379 1.306 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000743638982 576648749 /nfs/dbraw/zinc/64/87/49/576648749.db2.gz TXDKJZPSVDYLRB-IUCAKERBSA-N 1 0 254.355 1.666 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc1 ZINC000762790202 576672530 /nfs/dbraw/zinc/67/25/30/576672530.db2.gz YJJWXLFGLTYPOQ-YOEHRIQHSA-N 1 0 291.439 1.860 20 10 CDCDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322740 576905611 /nfs/dbraw/zinc/90/56/11/576905611.db2.gz UHLYWQUPTKYMJU-GXSJLCMTSA-N 1 0 268.382 1.866 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000748460342 576913384 /nfs/dbraw/zinc/91/33/84/576913384.db2.gz OFGQDFFJSLKZPW-KGLIPLIRSA-N 1 0 289.379 1.818 20 10 CDCDRO C[NH+](C)CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000756327979 576986183 /nfs/dbraw/zinc/98/61/83/576986183.db2.gz XXXUMGOJQOGWGK-OAHLLOKOSA-N 1 0 278.396 1.935 20 10 CDCDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893324756 617573149 /nfs/dbraw/zinc/57/31/49/617573149.db2.gz YIQTYYSLXPLBTP-AWEZNQCLSA-N 1 0 269.341 1.660 20 10 CDCDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000044539895 617583135 /nfs/dbraw/zinc/58/31/35/617583135.db2.gz NRTQLYOCEHVZRV-LLVKDONJSA-N 1 0 262.357 1.732 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000840938415 617615934 /nfs/dbraw/zinc/61/59/34/617615934.db2.gz DSGCYNXWVKWLAZ-QGZVFWFLSA-N 1 0 289.423 1.577 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)c1ccccc1O ZINC000892281115 617684936 /nfs/dbraw/zinc/68/49/36/617684936.db2.gz OILGVKGFDOTCRY-KGYLQXTDSA-N 1 0 277.368 1.893 20 10 CDCDRO CC(C)([NH3+])CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000892847248 617826527 /nfs/dbraw/zinc/82/65/27/617826527.db2.gz NRMHXOGVKPLSLN-UHFFFAOYSA-N 1 0 263.341 1.545 20 10 CDCDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC000892330236 617849047 /nfs/dbraw/zinc/84/90/47/617849047.db2.gz GRKUEAZZBMUWCU-NSHDSACASA-N 1 0 297.786 1.939 20 10 CDCDRO CC1(C)CC[C@H](CNC(=O)NCc2ccccc2O)[NH2+]C1 ZINC000892388822 618121615 /nfs/dbraw/zinc/12/16/15/618121615.db2.gz YTQCSZMVCRHETL-CYBMUJFWSA-N 1 0 291.395 1.970 20 10 CDCDRO COc1cc(Cl)cc(CN[C@H]2CC[NH2+]C2)c1O ZINC000841044831 618678752 /nfs/dbraw/zinc/67/87/52/618678752.db2.gz JNDKRZIAOSMTEQ-JTQLQIEISA-N 1 0 256.733 1.506 20 10 CDCDRO CC[C@H]([NH3+])CNCc1cc(Cl)cc(OC)c1O ZINC000841072264 618681569 /nfs/dbraw/zinc/68/15/69/618681569.db2.gz MXYAVCYNQNRSQT-JTQLQIEISA-N 1 0 258.749 1.881 20 10 CDCDRO [NH3+]CC[C@@H](NCc1ccc(N2CCOCC2)cc1)C(F)F ZINC000841071938 618681642 /nfs/dbraw/zinc/68/16/42/618681642.db2.gz JYIDDYBCMJLWRP-CQSZACIVSA-N 1 0 299.365 1.595 20 10 CDCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC000843058010 618691846 /nfs/dbraw/zinc/69/18/46/618691846.db2.gz KYODSMSIUYJWLF-GFCCVEGCSA-N 1 0 278.352 1.695 20 10 CDCDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H]1COCCO1 ZINC000877628382 618697480 /nfs/dbraw/zinc/69/74/80/618697480.db2.gz HIZJTLFHLLNFMM-GFCCVEGCSA-N 1 0 251.326 1.548 20 10 CDCDRO COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1(F)F ZINC000894213676 618729263 /nfs/dbraw/zinc/72/92/63/618729263.db2.gz PKACJZJUKLUENS-DGCLKSJQSA-N 1 0 297.301 1.765 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CC(N)=O)c1O ZINC000894342205 618799598 /nfs/dbraw/zinc/79/95/98/618799598.db2.gz JJOGFQRCWFQHFK-VIFPVBQESA-N 1 0 252.314 1.063 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)CO)c1O ZINC000894358913 618819051 /nfs/dbraw/zinc/81/90/51/618819051.db2.gz KINZMKFYGCUSHS-UHFFFAOYSA-N 1 0 253.342 1.817 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000894538343 618948970 /nfs/dbraw/zinc/94/89/70/618948970.db2.gz JUJABSXTXCVHCO-CMPLNLGQSA-N 1 0 251.326 1.664 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000894543399 618953265 /nfs/dbraw/zinc/95/32/65/618953265.db2.gz XCQMKJUKXXAVQK-UHFFFAOYSA-N 1 0 278.352 1.934 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000895332626 619570913 /nfs/dbraw/zinc/57/09/13/619570913.db2.gz XBXBMGRAIFLJQR-GXTWGEPZSA-N 1 0 251.326 1.018 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C2(CO)CC2)c(O)c1OC ZINC000895344588 619588868 /nfs/dbraw/zinc/58/88/68/619588868.db2.gz RMJYCFXDHZIXRM-SNVBAGLBSA-N 1 0 281.352 1.660 20 10 CDCDRO CON(C)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000883172307 619856589 /nfs/dbraw/zinc/85/65/89/619856589.db2.gz CXBGRMXYDPZNKP-UHFFFAOYSA-N 1 0 255.337 1.475 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000896360516 620072198 /nfs/dbraw/zinc/07/21/98/620072198.db2.gz DZSWMPYFSGNBOK-CYBMUJFWSA-N 1 0 292.379 1.890 20 10 CDCDRO COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1OC ZINC000897676708 621063519 /nfs/dbraw/zinc/06/35/19/621063519.db2.gz WKHDICZDABVODS-ONGXEEELSA-N 1 0 267.325 1.222 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000927083282 621693753 /nfs/dbraw/zinc/69/37/53/621693753.db2.gz KJYDYKRSTGBAHG-NWDGAFQWSA-N 1 0 281.352 1.857 20 10 CDCDRO [NH3+]CC[C@H](NCc1ccc2c(c1)CCO2)C(F)F ZINC000841072251 624402002 /nfs/dbraw/zinc/40/20/02/624402002.db2.gz MKUOWIBTDQYIKB-NSHDSACASA-N 1 0 256.296 1.694 20 10 CDCDRO COc1ccc(N2CCN(C[C@H]3CCC[NH2+]3)CC2)cc1F ZINC000903444906 625998708 /nfs/dbraw/zinc/99/87/08/625998708.db2.gz DPSGLHRVNSLRND-CYBMUJFWSA-N 1 0 293.386 1.708 20 10 CDCDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000905340911 626775382 /nfs/dbraw/zinc/77/53/82/626775382.db2.gz JSIILLFIWMEJPG-UHFFFAOYSA-N 1 0 293.367 1.262 20 10 CDCDRO CCNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905531775 626855043 /nfs/dbraw/zinc/85/50/43/626855043.db2.gz UVZVWAKLWNIXTA-UHFFFAOYSA-N 1 0 292.452 1.422 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000905694894 626941229 /nfs/dbraw/zinc/94/12/29/626941229.db2.gz KMWZDUPBYNSXMA-GFCCVEGCSA-N 1 0 293.363 1.904 20 10 CDCDRO C[C@@H]([NH2+]CCCS(N)(=O)=O)c1ccc(N(C)C)cc1 ZINC000045069400 630571389 /nfs/dbraw/zinc/57/13/89/630571389.db2.gz OPTJHESBDDMPDI-LLVKDONJSA-N 1 0 285.413 1.082 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000154125631 632052076 /nfs/dbraw/zinc/05/20/76/632052076.db2.gz QZCNBXSOEXZMDK-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)S(C)(=O)=O ZINC000921821350 633320623 /nfs/dbraw/zinc/32/06/23/633320623.db2.gz XNZQNAORDBRBFH-UHFFFAOYSA-N 1 0 297.420 1.924 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2cnco2)cc1C ZINC001132040685 1163150903 /nfs/dbraw/zinc/15/09/03/1163150903.db2.gz FCSXXLAPYYOTLK-UHFFFAOYSA-N 1 0 289.335 1.511 20 10 CDCDRO Cc1ccc(O)c(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)c1 ZINC001605875406 1163702577 /nfs/dbraw/zinc/70/25/77/1163702577.db2.gz FRUNNLOOAQIGPA-UHFFFAOYSA-N 1 0 296.334 1.618 20 10 CDCDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001576502865 1171441820 /nfs/dbraw/zinc/44/18/20/1171441820.db2.gz IMCADULDEBJXMZ-CQSZACIVSA-N 1 0 289.339 1.660 20 10 CDCDRO COc1ccc(CN[C@H]2CC[NH2+]C2)cc1Cn1cccn1 ZINC001579217937 1172118386 /nfs/dbraw/zinc/11/83/86/1172118386.db2.gz INNHCKKBNCQPQC-HNNXBMFYSA-N 1 0 286.379 1.392 20 10 CDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1CC[NH2+]1 ZINC001580713591 1172521002 /nfs/dbraw/zinc/52/10/02/1172521002.db2.gz CUTRVTVIJFMJBY-CQSZACIVSA-N 1 0 286.379 1.224 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000228356327 777710222 /nfs/dbraw/zinc/71/02/22/777710222.db2.gz RAZDHUFKNFCEHG-NSHDSACASA-N 1 0 268.744 1.756 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000877558534 779789445 /nfs/dbraw/zinc/78/94/45/779789445.db2.gz JPHCHNRZSFFOGL-CQSZACIVSA-N 1 0 278.396 1.637 20 10 CDCDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000839196363 773803902 /nfs/dbraw/zinc/80/39/02/773803902.db2.gz VAAOPQZOQFAZBL-CYBMUJFWSA-N 1 0 260.337 1.237 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCN(C)S(C)(=O)=O ZINC000876929517 773803947 /nfs/dbraw/zinc/80/39/47/773803947.db2.gz ZPAMSOCGNHYFNK-UHFFFAOYSA-N 1 0 286.397 1.072 20 10 CDCDRO C[NH2+]C[C@H](C)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000853249574 773805288 /nfs/dbraw/zinc/80/52/88/773805288.db2.gz RJYHVZJJPLJQQJ-ZDUSSCGKSA-N 1 0 277.412 1.862 20 10 CDCDRO CC1(CNC(=O)Cc2ccc(N)cc2)CC[NH2+]CC1 ZINC000183347257 773885240 /nfs/dbraw/zinc/88/52/40/773885240.db2.gz JBJGKTLNLNRKLA-UHFFFAOYSA-N 1 0 261.369 1.317 20 10 CDCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CC[C@H]1O ZINC000858182984 773936883 /nfs/dbraw/zinc/93/68/83/773936883.db2.gz PHXAMGBSZBALFV-MWLCHTKSSA-N 1 0 272.142 1.768 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000848909680 773953487 /nfs/dbraw/zinc/95/34/87/773953487.db2.gz ZIWBKSJIWOKAHD-GXFFZTMASA-N 1 0 262.353 1.569 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c(O)c1 ZINC000877656802 773965971 /nfs/dbraw/zinc/96/59/71/773965971.db2.gz QZDFVYITMMQIHO-ZYHUDNBSSA-N 1 0 269.366 1.366 20 10 CDCDRO COCC(COC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167819 774041416 /nfs/dbraw/zinc/04/14/16/774041416.db2.gz FHNUIQSHLBDGFH-JTQLQIEISA-N 1 0 269.341 1.713 20 10 CDCDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c(F)ccc(O)c1O ZINC000825771652 774054358 /nfs/dbraw/zinc/05/43/58/774054358.db2.gz YUPVRTAHSJWSDO-SNVBAGLBSA-N 1 0 294.326 1.451 20 10 CDCDRO CC[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(C)cc1O ZINC000794817939 774068205 /nfs/dbraw/zinc/06/82/05/774068205.db2.gz RMTKMGLLFFQFJM-CQSZACIVSA-N 1 0 292.379 1.600 20 10 CDCDRO CN(C(=O)C1=CC(=O)CS1)C1CC[NH+](C)CC1 ZINC000854124669 774078640 /nfs/dbraw/zinc/07/86/40/774078640.db2.gz ZLTNCYODGWXAOJ-UHFFFAOYSA-N 1 0 254.355 1.620 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000775985538 774162113 /nfs/dbraw/zinc/16/21/13/774162113.db2.gz MURKAWZMANLBFC-NWDGAFQWSA-N 1 0 294.395 1.934 20 10 CDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000707591898 774187576 /nfs/dbraw/zinc/18/75/76/774187576.db2.gz BHJHUPWXAZUJOY-GASCZTMLSA-N 1 0 276.380 1.384 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000724874013 774189921 /nfs/dbraw/zinc/18/99/21/774189921.db2.gz SLTKYWPSZCECMV-HUUCEWRRSA-N 1 0 264.369 1.646 20 10 CDCDRO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@@H](C)C[NH2+]1 ZINC000841955448 774212617 /nfs/dbraw/zinc/21/26/17/774212617.db2.gz CGISXNWXPZZNGF-NEPJUHHUSA-N 1 0 276.384 1.203 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000848916734 774322213 /nfs/dbraw/zinc/32/22/13/774322213.db2.gz LQWDUIZQYGICMM-CQSZACIVSA-N 1 0 276.380 1.865 20 10 CDCDRO CCn1nccc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045802 774348204 /nfs/dbraw/zinc/34/82/04/774348204.db2.gz QJSDFGJOHKMHTL-MRXNPFEDSA-N 1 0 287.411 1.759 20 10 CDCDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817412052 774353577 /nfs/dbraw/zinc/35/35/77/774353577.db2.gz BUZGNPVEKLVEHM-QWRGUYRKSA-N 1 0 279.336 1.571 20 10 CDCDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000224856042 774390927 /nfs/dbraw/zinc/39/09/27/774390927.db2.gz YIGYDLBQYCDXDS-JQWIXIFHSA-N 1 0 255.383 1.903 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000842912774 774395069 /nfs/dbraw/zinc/39/50/69/774395069.db2.gz VXZNWLJLSFSXRG-XTWCZFFVSA-N 1 0 255.289 1.596 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC(C)(C)[NH3+])c1 ZINC000925737458 774478964 /nfs/dbraw/zinc/47/89/64/774478964.db2.gz IWDFTRWWGOWOCO-JTQLQIEISA-N 1 0 280.368 1.957 20 10 CDCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000842224287 774525650 /nfs/dbraw/zinc/52/56/50/774525650.db2.gz BRXZQLNCDVTQRK-YPMHNXCESA-N 1 0 273.760 1.657 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000877370077 774651165 /nfs/dbraw/zinc/65/11/65/774651165.db2.gz QDCBAZHOOUXEPQ-MRXNPFEDSA-N 1 0 295.379 1.883 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1=CCCOC1 ZINC000853562310 774711993 /nfs/dbraw/zinc/71/19/93/774711993.db2.gz KFQCIOFPTRADTR-HNNXBMFYSA-N 1 0 291.347 1.597 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c(O)c1 ZINC000877025285 774736207 /nfs/dbraw/zinc/73/62/07/774736207.db2.gz FWUJRPHNVCHCOP-ZIAGYGMSSA-N 1 0 278.396 1.899 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000877130238 774812395 /nfs/dbraw/zinc/81/23/95/774812395.db2.gz KNVXBABUQDYTKV-IUODEOHRSA-N 1 0 292.379 1.426 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C[NH3+])C2)c1O ZINC000843367734 774817765 /nfs/dbraw/zinc/81/77/65/774817765.db2.gz JBBWZSLCJCAZSX-LBPRGKRZSA-N 1 0 298.770 1.408 20 10 CDCDRO C[NH2+]CCN(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000070303474 774837498 /nfs/dbraw/zinc/83/74/98/774837498.db2.gz SLXMKOXCIPBQAU-UHFFFAOYSA-N 1 0 254.305 1.385 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000817996585 774849044 /nfs/dbraw/zinc/84/90/44/774849044.db2.gz KLFCCUXCNHMEPU-LKFCYVNXSA-N 1 0 278.352 1.705 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851655060 774866469 /nfs/dbraw/zinc/86/64/69/774866469.db2.gz OBLZDRHKJVTKOV-ZDUSSCGKSA-N 1 0 290.411 1.694 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCNC2=O)c(O)c1 ZINC000886745053 774873910 /nfs/dbraw/zinc/87/39/10/774873910.db2.gz MXOOFDYRQOSBPM-LLVKDONJSA-N 1 0 263.341 1.376 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCC1(O)CCOCC1 ZINC000877515559 775096269 /nfs/dbraw/zinc/09/62/69/775096269.db2.gz JBTUQZDCVPZAAR-UHFFFAOYSA-N 1 0 265.353 1.722 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000855162046 775122687 /nfs/dbraw/zinc/12/26/87/775122687.db2.gz UFSSTWHZKIDSFU-LLVKDONJSA-N 1 0 292.379 1.948 20 10 CDCDRO Cc1ccc(CN2CC[NH+](CC(C)(C)O)CC2)c(O)c1 ZINC000876679178 775287349 /nfs/dbraw/zinc/28/73/49/775287349.db2.gz NAHRVKZQJUALIK-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO COc1ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)c(O)c1 ZINC000794378003 775390141 /nfs/dbraw/zinc/39/01/41/775390141.db2.gz SJMQIAPBHIFTLO-AWEZNQCLSA-N 1 0 280.368 1.603 20 10 CDCDRO CN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(N)cc1 ZINC000877074974 775414830 /nfs/dbraw/zinc/41/48/30/775414830.db2.gz WTXBXESLSZIALL-GFCCVEGCSA-N 1 0 287.285 1.774 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000922055265 775495062 /nfs/dbraw/zinc/49/50/62/775495062.db2.gz OGTAQPLCLBKDRX-SWLSCSKDSA-N 1 0 290.411 1.817 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000825197353 775498999 /nfs/dbraw/zinc/49/89/99/775498999.db2.gz VUMABRWTZKMCEV-DGCLKSJQSA-N 1 0 267.325 1.294 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CN(C(C)=O)C[C@H]2C)cc1C ZINC001054305894 775539602 /nfs/dbraw/zinc/53/96/02/775539602.db2.gz PQLKWRXRNJEORN-DOMZBBRYSA-N 1 0 276.380 1.960 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(C)cc1O ZINC000858553252 775574387 /nfs/dbraw/zinc/57/43/87/775574387.db2.gz MYOWURDPUMKDRT-GZBFAFLISA-N 1 0 265.353 1.891 20 10 CDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000844177229 775636218 /nfs/dbraw/zinc/63/62/18/775636218.db2.gz CPTIWISLQULOSB-RISCZKNCSA-N 1 0 293.386 1.896 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(C)ccc1O ZINC000172069954 775645157 /nfs/dbraw/zinc/64/51/57/775645157.db2.gz NVIDYJIHROCKAT-AWEZNQCLSA-N 1 0 253.342 1.578 20 10 CDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000126751141 775811692 /nfs/dbraw/zinc/81/16/92/775811692.db2.gz IMSVPCXNGRAMCW-YPMHNXCESA-N 1 0 262.353 1.739 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnc3cnccn23)c(O)c1 ZINC000793388484 775819811 /nfs/dbraw/zinc/81/98/11/775819811.db2.gz OZFAXFAXVPEAIA-UHFFFAOYSA-N 1 0 284.319 1.733 20 10 CDCDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000843119664 775887100 /nfs/dbraw/zinc/88/71/00/775887100.db2.gz BDRTWUBBPYQKCH-GJZGRUSLSA-N 1 0 289.423 1.705 20 10 CDCDRO C[C@@H](CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858140713 776027276 /nfs/dbraw/zinc/02/72/76/776027276.db2.gz DGOADAXCQDOGDB-VIFPVBQESA-N 1 0 258.312 1.891 20 10 CDCDRO C[C@H](CCCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566403 776056578 /nfs/dbraw/zinc/05/65/78/776056578.db2.gz NHBPIJQJJHOYDW-CQSZACIVSA-N 1 0 292.423 1.898 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN1CCC[NH2+]CC1 ZINC000843047731 776155288 /nfs/dbraw/zinc/15/52/88/776155288.db2.gz YFWBERFAFAEIEE-UHFFFAOYSA-N 1 0 275.396 1.319 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc1 ZINC000828352985 776179906 /nfs/dbraw/zinc/17/99/06/776179906.db2.gz HQDQMWUIKVMROP-CABCVRRESA-N 1 0 289.379 1.127 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1(C)COC1 ZINC000863296488 776237111 /nfs/dbraw/zinc/23/71/11/776237111.db2.gz MUGQHTAVYPRZBC-ZDUSSCGKSA-N 1 0 279.336 1.286 20 10 CDCDRO Cc1ccc(CN2CCC([N@H+](C)CCCO)CC2)c(O)c1 ZINC000876736427 776301631 /nfs/dbraw/zinc/30/16/31/776301631.db2.gz LADUERHMDFICAD-UHFFFAOYSA-N 1 0 292.423 1.979 20 10 CDCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922183265 776305921 /nfs/dbraw/zinc/30/59/21/776305921.db2.gz QHMKFVLZMCWAAD-CABCVRRESA-N 1 0 279.380 1.623 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000704388937 776532180 /nfs/dbraw/zinc/53/21/80/776532180.db2.gz WISMTNSTGQRCRG-LLVKDONJSA-N 1 0 298.770 1.765 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)Nc1cnccn1)c1ccc(N(C)C)cc1 ZINC000851950662 776752427 /nfs/dbraw/zinc/75/24/27/776752427.db2.gz QWYKGXUZFNLJGR-GFCCVEGCSA-N 1 0 299.378 1.832 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000827699118 776828764 /nfs/dbraw/zinc/82/87/64/776828764.db2.gz FFRGTTWZIBJZOE-IAQYHMDHSA-N 1 0 265.353 1.851 20 10 CDCDRO C[NH+]1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844853936 776836681 /nfs/dbraw/zinc/83/66/81/776836681.db2.gz GWJYZCLNOAHSSR-UHFFFAOYSA-N 1 0 297.786 1.939 20 10 CDCDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000036780769 776857835 /nfs/dbraw/zinc/85/78/35/776857835.db2.gz LWQFQCVIOACYJV-LLVKDONJSA-N 1 0 250.342 1.877 20 10 CDCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922101067 776868635 /nfs/dbraw/zinc/86/86/35/776868635.db2.gz STTAQZNFPQZCFN-XHDPSFHLSA-N 1 0 274.364 1.626 20 10 CDCDRO O[C@@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)CCCOC1 ZINC000846108876 776875813 /nfs/dbraw/zinc/87/58/13/776875813.db2.gz FELGAMWKGDPRDN-MRXNPFEDSA-N 1 0 277.364 1.643 20 10 CDCDRO COc1ccc(N2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000883422688 776968805 /nfs/dbraw/zinc/96/88/05/776968805.db2.gz SHEAVNWVSWVBJY-KBPBESRZSA-N 1 0 293.386 1.517 20 10 CDCDRO CCOC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648298 776989996 /nfs/dbraw/zinc/98/99/96/776989996.db2.gz IYCSZXBVPVOPJY-LLVKDONJSA-N 1 0 294.351 1.064 20 10 CDCDRO CCCN(CC(=O)NC)Cc1cc(F)c(N(C)C)cc1F ZINC000862232362 777003032 /nfs/dbraw/zinc/00/30/32/777003032.db2.gz WWLIRAREOOZJOL-UHFFFAOYSA-N 1 0 299.365 1.989 20 10 CDCDRO COc1cc(C)cc(CN(C)CCS(C)(=O)=O)c1O ZINC000164279564 777004298 /nfs/dbraw/zinc/00/42/98/777004298.db2.gz GDTQDYFZOZQDBL-UHFFFAOYSA-N 1 0 287.381 1.186 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000132625739 777006731 /nfs/dbraw/zinc/00/67/31/777006731.db2.gz GMZRGJMKAGHYHO-RNCFNFMXSA-N 1 0 270.760 1.594 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)[C@@H]1C ZINC000787421507 777048113 /nfs/dbraw/zinc/04/81/13/777048113.db2.gz STHJNGAUVINHGA-GHMZBOCLSA-N 1 0 279.336 1.784 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841987705 777074911 /nfs/dbraw/zinc/07/49/11/777074911.db2.gz NSTYFKIPJBNUKQ-JTQLQIEISA-N 1 0 277.368 1.417 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000704388938 777102461 /nfs/dbraw/zinc/10/24/61/777102461.db2.gz WISMTNSTGQRCRG-NSHDSACASA-N 1 0 298.770 1.765 20 10 CDCDRO COc1cc(O)c(C[NH2+]C2([C@@H](C)O)CC2)cc1OC ZINC000827586355 777191637 /nfs/dbraw/zinc/19/16/37/777191637.db2.gz WOLQRHITGUJLCF-SECBINFHSA-N 1 0 267.325 1.412 20 10 CDCDRO COc1ccc(O)c(CN2CCNC(=O)C2(C)C)c1 ZINC000180050934 777196649 /nfs/dbraw/zinc/19/66/49/777196649.db2.gz GRSRPJMHNCGSGV-UHFFFAOYSA-N 1 0 264.325 1.111 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000312888318 777199706 /nfs/dbraw/zinc/19/97/06/777199706.db2.gz SBCLHQCYMBKZPX-UHFFFAOYSA-N 1 0 254.305 1.536 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)CCCC[NH3+])cc1 ZINC000846697750 777247037 /nfs/dbraw/zinc/24/70/37/777247037.db2.gz VOSQLYJVIYYCSH-UHFFFAOYSA-N 1 0 293.411 1.719 20 10 CDCDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccccc1O ZINC000036794094 777251093 /nfs/dbraw/zinc/25/10/93/777251093.db2.gz MDGRUVQHHVTTLA-ZYHUDNBSSA-N 1 0 250.342 1.910 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000877332000 777289166 /nfs/dbraw/zinc/28/91/66/777289166.db2.gz WLXVOZLDHKWTHR-ZDUSSCGKSA-N 1 0 262.353 1.217 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000846960207 777320472 /nfs/dbraw/zinc/32/04/72/777320472.db2.gz MVFOSGNPWAMLRL-STQMWFEESA-N 1 0 281.327 1.983 20 10 CDCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)O1 ZINC000398126558 777325944 /nfs/dbraw/zinc/32/59/44/777325944.db2.gz TXKDBNJUUWZHEQ-KOLCDFICSA-N 1 0 265.309 1.778 20 10 CDCDRO C[NH+](C)CC1(CNC(=O)c2cccc(O)c2O)CCCC1 ZINC000193163431 777437031 /nfs/dbraw/zinc/43/70/31/777437031.db2.gz BURRVUAICZPYOE-UHFFFAOYSA-N 1 0 292.379 1.950 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1O ZINC000848904885 777450893 /nfs/dbraw/zinc/45/08/93/777450893.db2.gz CJCZVIHLZRHABL-UHFFFAOYSA-N 1 0 298.408 1.208 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840943385 777480277 /nfs/dbraw/zinc/48/02/77/777480277.db2.gz PSPHJYGDJRJWQR-AWEZNQCLSA-N 1 0 252.358 1.158 20 10 CDCDRO COc1ccc(C[NH2+]CC2OCCCO2)cc1C ZINC000716369303 777553756 /nfs/dbraw/zinc/55/37/56/777553756.db2.gz HUDPYDJEEFSHKT-UHFFFAOYSA-N 1 0 251.326 1.856 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000858547313 777604789 /nfs/dbraw/zinc/60/47/89/777604789.db2.gz FRCKROOACIRWLX-CMPLNLGQSA-N 1 0 284.787 1.763 20 10 CDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](O)CN(C)C)c1O ZINC000808693997 777727778 /nfs/dbraw/zinc/72/77/78/777727778.db2.gz XHULROOXHYNYJO-JQWIXIFHSA-N 1 0 286.803 1.927 20 10 CDCDRO Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(O)c1O ZINC000817679120 777781947 /nfs/dbraw/zinc/78/19/47/777781947.db2.gz RCSFOWIEVXEBDL-LLVKDONJSA-N 1 0 278.352 1.572 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884222958 777823629 /nfs/dbraw/zinc/82/36/29/777823629.db2.gz FTUWQLHDQNRQHV-OAHLLOKOSA-N 1 0 289.423 1.923 20 10 CDCDRO CCCC[C@H](CN)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841029230 778069973 /nfs/dbraw/zinc/06/99/73/778069973.db2.gz MVKZDSKSPMRWFS-LLVKDONJSA-N 1 0 266.341 1.728 20 10 CDCDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCCSc1nccs1 ZINC000829528293 778149367 /nfs/dbraw/zinc/14/93/67/778149367.db2.gz OAVVNRYRLNINHI-SECBINFHSA-N 1 0 285.438 1.740 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](CCCO)C2)c1O ZINC000825338006 778201961 /nfs/dbraw/zinc/20/19/61/778201961.db2.gz KTQLPUXQEJCPMY-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141579 778344877 /nfs/dbraw/zinc/34/48/77/778344877.db2.gz UVTMFRYBEVQSLH-WCQYABFASA-N 1 0 290.363 1.501 20 10 CDCDRO C[NH2+]C[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000853250508 778399269 /nfs/dbraw/zinc/39/92/69/778399269.db2.gz QYBIINLNRGGHHG-ZDUSSCGKSA-N 1 0 263.385 1.221 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@H+]2C)c1 ZINC000925432930 778404928 /nfs/dbraw/zinc/40/49/28/778404928.db2.gz ZZSMTTDGEZRHIX-GFCCVEGCSA-N 1 0 263.341 1.204 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)cc1 ZINC000866498487 778487794 /nfs/dbraw/zinc/48/77/94/778487794.db2.gz XREZSMSEVZNRGC-APHBMKBZSA-N 1 0 278.396 1.943 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCC[S@](C)=O)cc1F ZINC000116919525 778594399 /nfs/dbraw/zinc/59/43/99/778594399.db2.gz CWCNJSWJWLYTEX-GOSISDBHSA-N 1 0 272.389 1.750 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000817966014 778625145 /nfs/dbraw/zinc/62/51/45/778625145.db2.gz ZEIGGCUPTBHOTR-RNCFNFMXSA-N 1 0 278.352 1.567 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nnc2n1CCOC2 ZINC000843350388 778690652 /nfs/dbraw/zinc/69/06/52/778690652.db2.gz OEESSBCOGFINLM-UHFFFAOYSA-N 1 0 299.378 1.220 20 10 CDCDRO CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)[NH+](C)C ZINC000778929184 778694605 /nfs/dbraw/zinc/69/46/05/778694605.db2.gz GLMCZWBQIMHKSK-ZDUSSCGKSA-N 1 0 266.341 1.300 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1C ZINC000817412305 778705328 /nfs/dbraw/zinc/70/53/28/778705328.db2.gz IOEHEQHSINSJSZ-CQSZACIVSA-N 1 0 279.380 1.981 20 10 CDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122900 778772898 /nfs/dbraw/zinc/77/28/98/778772898.db2.gz VMRMVVLRFRFWKF-HNNXBMFYSA-N 1 0 278.396 1.508 20 10 CDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825829 778830737 /nfs/dbraw/zinc/83/07/37/778830737.db2.gz XWJCIWMZQUDNME-RISCZKNCSA-N 1 0 263.385 1.742 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000790756991 778896363 /nfs/dbraw/zinc/89/63/63/778896363.db2.gz INYDWZUJQWCZLC-UONOGXRCSA-N 1 0 297.395 1.765 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000134226177 778967102 /nfs/dbraw/zinc/96/71/02/778967102.db2.gz QKNLLJJZALXFJN-CQSZACIVSA-N 1 0 273.332 1.922 20 10 CDCDRO CC(C)[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180635887 779063283 /nfs/dbraw/zinc/06/32/83/779063283.db2.gz LUQKBIZMDFLUDH-GQCTYLIASA-N 1 0 290.363 1.664 20 10 CDCDRO CN(C)c1ccc(CNCc2cn(C)cn2)cc1F ZINC000808384074 779098377 /nfs/dbraw/zinc/09/83/77/779098377.db2.gz ARGYAMSUVXYMBS-UHFFFAOYSA-N 1 0 262.332 1.915 20 10 CDCDRO O=C1CC[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]2N1 ZINC000827132759 779206061 /nfs/dbraw/zinc/20/60/61/779206061.db2.gz OFIFAWZOQHSRKG-MFKMUULPSA-N 1 0 278.327 1.632 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c1O ZINC000848906007 779274268 /nfs/dbraw/zinc/27/42/68/779274268.db2.gz PLVLKWHZYHQMFR-RISCZKNCSA-N 1 0 265.353 1.536 20 10 CDCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824710048 779281186 /nfs/dbraw/zinc/28/11/86/779281186.db2.gz VPZSAPCILGULFA-MEBBXXQBSA-N 1 0 295.335 1.262 20 10 CDCDRO CCOc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c(O)c1 ZINC000843119940 779296194 /nfs/dbraw/zinc/29/61/94/779296194.db2.gz PIWLZBFBCCSSBN-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCN2CCCO)cc1C ZINC000824559598 779340637 /nfs/dbraw/zinc/34/06/37/779340637.db2.gz WETWODYWGKDWFL-INIZCTEOSA-N 1 0 292.423 1.945 20 10 CDCDRO Cc1cc(C[NH2+]C2(C(N)=O)CCCC2)ccc1N(C)C ZINC000815070951 779379125 /nfs/dbraw/zinc/37/91/25/779379125.db2.gz AXWOLVXVOYZJBR-UHFFFAOYSA-N 1 0 275.396 1.949 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C[N@H+](C)C(C)C)c1 ZINC000114543503 779438610 /nfs/dbraw/zinc/43/86/10/779438610.db2.gz GAGOXIGOJHKWOL-UHFFFAOYSA-N 1 0 266.341 1.357 20 10 CDCDRO CN1CC[C@](O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000702603887 779529276 /nfs/dbraw/zinc/52/92/76/779529276.db2.gz ONAFPZNDDTWMAW-ZDUSSCGKSA-N 1 0 270.760 1.202 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000841654091 779533813 /nfs/dbraw/zinc/53/38/13/779533813.db2.gz MWBWIUOQHMBKBN-OKILXGFUSA-N 1 0 288.395 1.113 20 10 CDCDRO COc1ccc(CNC(=O)C(C)(C)C[NH3+])c(O)c1 ZINC000832178896 779544279 /nfs/dbraw/zinc/54/42/79/779544279.db2.gz ZKHONIMCVMURDD-UHFFFAOYSA-N 1 0 252.314 1.002 20 10 CDCDRO Cc1cccc(C[N@H+](C)C[C@@H]2COCCO2)c1O ZINC000827140596 779651116 /nfs/dbraw/zinc/65/11/16/779651116.db2.gz LYODELCCRDBGAL-CYBMUJFWSA-N 1 0 251.326 1.548 20 10 CDCDRO CC[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876906047 779691412 /nfs/dbraw/zinc/69/14/12/779691412.db2.gz OXWROFSPZORXSO-CQSZACIVSA-N 1 0 278.396 1.508 20 10 CDCDRO CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001021116752 779723247 /nfs/dbraw/zinc/72/32/47/779723247.db2.gz PIYXSANJSKSKGW-HAQNSBGRSA-N 1 0 289.339 1.719 20 10 CDCDRO CC[C@H](C)[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(N)=O ZINC000887059114 779757874 /nfs/dbraw/zinc/75/78/74/779757874.db2.gz DMOZVKAOBXSCFO-SDBXPKJASA-N 1 0 296.342 1.724 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000839665390 779816434 /nfs/dbraw/zinc/81/64/34/779816434.db2.gz GWNPGGHISGTLII-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO OC/C=C\C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877625441 779876360 /nfs/dbraw/zinc/87/63/60/779876360.db2.gz YPYJACWZYCGJNU-UPHRSURJSA-N 1 0 276.380 1.286 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c(O)c1 ZINC000886229743 779878260 /nfs/dbraw/zinc/87/82/60/779878260.db2.gz VFXURQLOBVLOCI-UONOGXRCSA-N 1 0 295.379 1.811 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000840964185 779886910 /nfs/dbraw/zinc/88/69/10/779886910.db2.gz YPMCEIOSKCZTRX-TZMCWYRMSA-N 1 0 265.353 1.578 20 10 CDCDRO CCCn1cc(C[NH2+]Cc2cc(C)ccc2O)nn1 ZINC000865641535 779925558 /nfs/dbraw/zinc/92/55/58/779925558.db2.gz ZQUFQJDMZMYBME-UHFFFAOYSA-N 1 0 260.341 1.992 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CC1OCCCO1 ZINC000716340848 779933036 /nfs/dbraw/zinc/93/30/36/779933036.db2.gz IMINGTPHTZGCNN-UHFFFAOYSA-N 1 0 257.717 1.898 20 10 CDCDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)c(O)c2O)C1 ZINC000780918478 780083591 /nfs/dbraw/zinc/08/35/91/780083591.db2.gz UXPNTFYYXQBKFC-GFCCVEGCSA-N 1 0 292.379 1.868 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848407061 780122997 /nfs/dbraw/zinc/12/29/97/780122997.db2.gz LRUWFOBXOWXUSR-NVXWUHKLSA-N 1 0 287.407 1.759 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1O ZINC000848912596 780140879 /nfs/dbraw/zinc/14/08/79/780140879.db2.gz STYKZQKDIFXECT-GFCCVEGCSA-N 1 0 297.420 1.869 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055993 894764979 /nfs/dbraw/zinc/76/49/79/894764979.db2.gz CVQKPSRSHXPNSA-LBPRGKRZSA-N 1 0 266.316 1.632 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CCC3(CNC(=O)N3)CC2)c1O ZINC001140183343 895212996 /nfs/dbraw/zinc/21/29/96/895212996.db2.gz CMIUNKORRXKEPJ-UHFFFAOYSA-N 1 0 289.379 1.656 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c1O ZINC001272625830 914207316 /nfs/dbraw/zinc/20/73/16/914207316.db2.gz OUDUDMKFCNCDJS-INIZCTEOSA-N 1 0 290.363 1.598 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(OC)cc1O ZINC000092380262 898201058 /nfs/dbraw/zinc/20/10/58/898201058.db2.gz AIWZKHAEHZGNQS-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000699833192 914332439 /nfs/dbraw/zinc/33/24/39/914332439.db2.gz FTUNHDZZUPZAEC-WCBMZHEXSA-N 1 0 251.282 1.245 20 10 CDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1c(O)ccc(F)c1F)C2 ZINC001235993285 914505977 /nfs/dbraw/zinc/50/59/77/914505977.db2.gz QZDCUKXSUKQABD-AMIZOPFISA-N 1 0 254.280 1.594 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC001236283693 914851340 /nfs/dbraw/zinc/85/13/40/914851340.db2.gz GSQSYPKYDYQCKF-SMDDNHRTSA-N 1 0 265.788 1.810 20 10 CDCDRO [NH3+]CCc1ccccc1NCCc1cc(O)c(O)cc1O ZINC001168014617 905610677 /nfs/dbraw/zinc/61/06/77/905610677.db2.gz VROWXJXOJCVNCN-UHFFFAOYSA-N 1 0 288.347 1.959 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC001143103556 921259602 /nfs/dbraw/zinc/25/96/02/921259602.db2.gz FMSUWTHXNFHPPP-JSGCOSHPSA-N 1 0 279.380 1.475 20 10 CDCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922640528 921723824 /nfs/dbraw/zinc/72/38/24/921723824.db2.gz GPXZTHVGDSMYRY-IUODEOHRSA-N 1 0 294.370 1.787 20 10 CDCDRO Cc1cc(CN2CC[NH+](CCCO)CC2)ccc1N(C)C ZINC001139670032 936329871 /nfs/dbraw/zinc/32/98/71/936329871.db2.gz WENSNNRQMCQXJM-UHFFFAOYSA-N 1 0 291.439 1.561 20 10 CDCDRO Oc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC001204275756 916510282 /nfs/dbraw/zinc/51/02/82/916510282.db2.gz YXTBVGQZERZHRK-UHFFFAOYSA-N 1 0 299.374 1.811 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204280706 916623159 /nfs/dbraw/zinc/62/31/59/916623159.db2.gz NEOZOERMHSDKDD-LBPRGKRZSA-N 1 0 264.325 1.150 20 10 CDCDRO C[C@@]1(O)COCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137832841 936417631 /nfs/dbraw/zinc/41/76/31/936417631.db2.gz JWHMEPWXNFWCAI-ZDUSSCGKSA-N 1 0 255.289 1.115 20 10 CDCDRO 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Cc1cccc(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c1O ZINC001276080478 932497259 /nfs/dbraw/zinc/49/72/59/932497259.db2.gz PGFPPYMFDKQUSA-UHFFFAOYSA-N 1 0 298.390 1.742 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001276169738 932590804 /nfs/dbraw/zinc/59/08/04/932590804.db2.gz VKALWTHGMBXJDK-OKILXGFUSA-N 1 0 262.353 1.215 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 ZINC001148218825 932670306 /nfs/dbraw/zinc/67/03/06/932670306.db2.gz MNRKJHVMDWEQOT-ZYHUDNBSSA-N 1 0 276.336 1.264 20 10 CDCDRO Oc1cc2c(cc1O)CN(c1ncc3c(n1)C[NH2+]C3)CCC2 ZINC001155940988 937690832 /nfs/dbraw/zinc/69/08/32/937690832.db2.gz FHUMCVCNGHXHLK-UHFFFAOYSA-N 1 0 298.346 1.444 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N)cc1)[C@@H](C)N1CCOCC1 ZINC001120370613 937796299 /nfs/dbraw/zinc/79/62/99/937796299.db2.gz CFFVSAZCTTZCRI-CHWSQXEVSA-N 1 0 263.385 1.468 20 10 CDCDRO Nc1ccc(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001120642876 937821129 /nfs/dbraw/zinc/82/11/29/937821129.db2.gz VLMSNLURWKKIEP-YOWGUQMCSA-N 1 0 288.395 1.599 20 10 CDCDRO Nc1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC001122444957 937932557 /nfs/dbraw/zinc/93/25/57/937932557.db2.gz LGADVUVXOWXHHQ-GFCCVEGCSA-N 1 0 287.285 1.427 20 10 CDCDRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001158144402 938587282 /nfs/dbraw/zinc/58/72/82/938587282.db2.gz HHTZRSUNXZQCIQ-LBPRGKRZSA-N 1 0 292.379 1.583 20 10 CDCDRO CN(C)C(=O)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2 ZINC001278255192 945214488 /nfs/dbraw/zinc/21/44/88/945214488.db2.gz OCLOAIMGZFOOKQ-UHFFFAOYSA-N 1 0 278.327 1.632 20 10 CDCDRO CC(C)N(C(=O)Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001161352878 938895092 /nfs/dbraw/zinc/89/50/92/938895092.db2.gz FLWSMCHRLQYBOL-AWEZNQCLSA-N 1 0 261.369 1.410 20 10 CDCDRO COc1cc(CN2CCOCC2)ccc1N1CC[C@H]([NH3+])C1 ZINC001164289197 939447580 /nfs/dbraw/zinc/44/75/80/939447580.db2.gz VWBKGIAHPZBEFE-AWEZNQCLSA-N 1 0 291.395 1.065 20 10 CDCDRO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1O ZINC001203550038 939692933 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ZINC001204342838 939757027 /nfs/dbraw/zinc/75/70/27/939757027.db2.gz NMFBALQHGHXZHO-JTQLQIEISA-N 1 0 267.325 1.575 20 10 CDCDRO COc1cc(C[NH+]2CCC(CO)CC2)cc(O)c1O ZINC001204346197 939758168 /nfs/dbraw/zinc/75/81/68/939758168.db2.gz GIXCUQUGCVBYDG-UHFFFAOYSA-N 1 0 267.325 1.311 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(O)c(O)c(OC)c2)C[C@@H]1C ZINC001204351506 939760367 /nfs/dbraw/zinc/76/03/67/939760367.db2.gz TXPZIEXLGVMWRJ-ONGXEEELSA-N 1 0 295.335 1.347 20 10 CDCDRO COC(=O)Cc1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204808911 939792995 /nfs/dbraw/zinc/79/29/95/939792995.db2.gz DXWCPGYJERBOGO-OAHLLOKOSA-N 1 0 278.352 1.031 20 10 CDCDRO Cc1cc(CN2C[C@@H](F)[C@@H]([NH3+])C2)ccc1N(C)C ZINC001204823259 939795007 /nfs/dbraw/zinc/79/50/07/939795007.db2.gz HVQCKLGVFYSYBO-OLZOCXBDSA-N 1 0 251.349 1.542 20 10 CDCDRO CN(C)c1ccc(CN2CC(C)([NH3+])C2)c(Cl)c1 ZINC001204979702 939810647 /nfs/dbraw/zinc/81/06/47/939810647.db2.gz KUGYOIAYQGFYNG-UHFFFAOYSA-N 1 0 253.777 1.939 20 10 CDCDRO COc1c[nH+]ccc1Nc1cccc(C(=O)N(C)C)c1O ZINC001211265709 940744652 /nfs/dbraw/zinc/74/46/52/940744652.db2.gz SEIDTHCNKUEVIT-UHFFFAOYSA-N 1 0 287.319 1.663 20 10 CDCDRO C[C@@H]1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C[NH2+]1 ZINC001218407835 941213898 /nfs/dbraw/zinc/21/38/98/941213898.db2.gz NPUMAJNZRKZZDH-RKDXNWHRSA-N 1 0 275.308 1.560 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@H]2CCN(C)C2)c1O ZINC000311137946 941319910 /nfs/dbraw/zinc/31/99/10/941319910.db2.gz SKLYQKNTVUPSSM-LBPRGKRZSA-N 1 0 250.342 1.537 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001219642133 941367817 /nfs/dbraw/zinc/36/78/17/941367817.db2.gz PFPBIRWVQWAAFX-OLEFQQMKSA-N 1 0 290.363 1.473 20 10 CDCDRO COc1cc(CN2CCC[C@]23CCC[NH2+]C3)cc(O)c1O ZINC001222237380 941577402 /nfs/dbraw/zinc/57/74/02/941577402.db2.gz HJOZFJGDFXOYAS-INIZCTEOSA-N 1 0 292.379 1.824 20 10 CDCDRO COc1ccc(N2CC3(CCN3CC[NH+](C)C)C2)c(C)c1 ZINC001277022063 941826352 /nfs/dbraw/zinc/82/63/52/941826352.db2.gz JCVCKNVVDFVNIP-UHFFFAOYSA-N 1 0 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MSNGCEGUYZYIEQ-QWHCGFSZSA-N 1 0 253.317 1.914 20 10 CDCDRO C[NH+](C)[C@H]1CCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258751 943190258 /nfs/dbraw/zinc/19/02/58/943190258.db2.gz NKXYRKUIGMUQTK-JTQLQIEISA-N 1 0 270.760 1.887 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001232838816 943415594 /nfs/dbraw/zinc/41/55/94/943415594.db2.gz JNYIYLJXFOZXRG-ZDUSSCGKSA-N 1 0 277.368 1.298 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CCC[C@H](N(C)C)C2)c(O)c1 ZINC001232838150 943416216 /nfs/dbraw/zinc/41/62/16/943416216.db2.gz AZCCBVCTCOUMGZ-HNNXBMFYSA-N 1 0 277.412 1.984 20 10 CDCDRO C[C@]1(O)CCCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233009792 943460301 /nfs/dbraw/zinc/46/03/01/943460301.db2.gz BBGQLANAULHJLB-AWEZNQCLSA-N 1 0 267.325 1.540 20 10 CDCDRO CCC[NH+]1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233012495 943461756 /nfs/dbraw/zinc/46/17/56/943461756.db2.gz JAZIIUJZDOOPCP-UHFFFAOYSA-N 1 0 266.341 1.331 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(O)c(O)c(O)c1 ZINC001233014971 943462847 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ZINC001233486169 943593658 /nfs/dbraw/zinc/59/36/58/943593658.db2.gz BFJRCPGABSVLNY-UHFFFAOYSA-N 1 0 289.335 1.837 20 10 CDCDRO CC[N@H+](Cc1cc(O)c(O)cc1O)CC(C)(C)O ZINC001233486479 943594640 /nfs/dbraw/zinc/59/46/40/943594640.db2.gz OCVCUPGADCCEQC-UHFFFAOYSA-N 1 0 255.314 1.396 20 10 CDCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)O1 ZINC001233487058 943595846 /nfs/dbraw/zinc/59/58/46/943595846.db2.gz NTJFIQFNLOQPEY-OAHLLOKOSA-N 1 0 293.319 1.475 20 10 CDCDRO COc1ccc(CNC(=O)C[C@@H]([NH3+])C(C)(C)C)c(O)c1 ZINC001263126293 943755496 /nfs/dbraw/zinc/75/54/96/943755496.db2.gz HSRRQFCYMSWDIK-CYBMUJFWSA-N 1 0 280.368 1.781 20 10 CDCDRO C[C@@H](CC(=O)NCc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001263303726 943822611 /nfs/dbraw/zinc/82/26/11/943822611.db2.gz GGMAREPVXSKIQJ-JSGCOSHPSA-N 1 0 275.396 1.911 20 10 CDCDRO Oc1ccc2ccccc2c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234986572 943997198 /nfs/dbraw/zinc/99/71/98/943997198.db2.gz DSGJCXASURGWMK-GOSISDBHSA-N 1 0 297.402 1.683 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC000386868376 944105150 /nfs/dbraw/zinc/10/51/50/944105150.db2.gz VLAIOKAFUBOCCL-GFCCVEGCSA-N 1 0 250.342 1.537 20 10 CDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC001235983183 944347183 /nfs/dbraw/zinc/34/71/83/944347183.db2.gz YLPSOXWJGAQCOP-GWCFXTLKSA-N 1 0 252.745 1.969 20 10 CDCDRO COc1cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(O)cc1O ZINC001236577861 944514797 /nfs/dbraw/zinc/51/47/97/944514797.db2.gz HXWWZOBPWGDLKD-AOOOYVTPSA-N 1 0 266.341 1.289 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236752284 944557711 /nfs/dbraw/zinc/55/77/11/944557711.db2.gz NWRBLIMLHVZBFB-UHFFFAOYSA-N 1 0 297.351 1.794 20 10 CDCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)C1CN(C)C1 ZINC001236753025 944558349 /nfs/dbraw/zinc/55/83/49/944558349.db2.gz FVDKKIDOYZCUEK-UHFFFAOYSA-N 1 0 280.368 1.545 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001237485368 944810595 /nfs/dbraw/zinc/81/05/95/944810595.db2.gz OVJAENCVHHNOQJ-HNNXBMFYSA-N 1 0 260.337 1.413 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H]2CO)c(O)c(OC)c1 ZINC001237669886 944918920 /nfs/dbraw/zinc/91/89/20/944918920.db2.gz PNNBRRYLANJFGY-NSHDSACASA-N 1 0 267.325 1.366 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c(OC)c1 ZINC001237674969 944919706 /nfs/dbraw/zinc/91/97/06/944919706.db2.gz OMCANPMAOQKWRH-MWLCHTKSSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1cc(CN(C)Cc2cncnc2)c(O)c(OC)c1 ZINC001237685809 944925671 /nfs/dbraw/zinc/92/56/71/944925671.db2.gz URADRJXUPWOTAJ-UHFFFAOYSA-N 1 0 289.335 1.831 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC001238057135 945040624 /nfs/dbraw/zinc/04/06/24/945040624.db2.gz IUAVFQXKFNFFEZ-JTQLQIEISA-N 1 0 266.316 1.537 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC001262586106 946741848 /nfs/dbraw/zinc/74/18/48/946741848.db2.gz UZKWALIOJGFOLJ-STQMWFEESA-N 1 0 262.357 1.338 20 10 CDCDRO COc1ccc(N2CC[NH+]([C@H]3CCCOC3)CC2)cc1 ZINC001254375469 947397478 /nfs/dbraw/zinc/39/74/78/947397478.db2.gz PCUZDWHOOXNAHO-HNNXBMFYSA-N 1 0 276.380 1.996 20 10 CDCDRO CN1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001255470560 947920314 /nfs/dbraw/zinc/92/03/14/947920314.db2.gz OSABNAAYMOBKRK-NSHDSACASA-N 1 0 266.341 1.030 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249217113 949459827 /nfs/dbraw/zinc/45/98/27/949459827.db2.gz MWMKJEUOWXAEBH-ZDUSSCGKSA-N 1 0 279.336 1.328 20 10 CDCDRO CC(C)(C)[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253714507 952056269 /nfs/dbraw/zinc/05/62/69/952056269.db2.gz BOYGEIKNEUDMET-STQMWFEESA-N 1 0 269.341 1.128 20 10 CDCDRO C[NH+](C)C1(C(=O)NCc2cc(O)ccc2O)CCCC1 ZINC001303225207 956066067 /nfs/dbraw/zinc/06/60/67/956066067.db2.gz BHXZNPDBDZNHFV-UHFFFAOYSA-N 1 0 278.352 1.588 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC001307785366 956439826 /nfs/dbraw/zinc/43/98/26/956439826.db2.gz LNQWMKIVPMZZAD-ZBFHGGJFSA-N 1 0 259.397 1.889 20 10 CDCDRO COC[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335133217 959596418 /nfs/dbraw/zinc/59/64/18/959596418.db2.gz FLWUIGOVFKFZSF-BBRMVZONSA-N 1 0 279.428 1.980 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC001335680768 959970576 /nfs/dbraw/zinc/97/05/76/959970576.db2.gz ZHUMHDBHPCFNOF-AAEUAGOBSA-N 1 0 262.357 1.195 20 10 CDCDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(N)cc1 ZINC001336117941 960210585 /nfs/dbraw/zinc/21/05/85/960210585.db2.gz RALYEOQKTLZSRF-AWEZNQCLSA-N 1 0 289.423 1.954 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001341721160 963521950 /nfs/dbraw/zinc/52/19/50/963521950.db2.gz JGJCPOROZDPZMC-IJLUTSLNSA-N 1 0 292.379 1.966 20 10 CDCDRO CC1(C)CC[N@H+](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC001355476054 969171925 /nfs/dbraw/zinc/17/19/25/969171925.db2.gz SOJDSXRFDXCQMK-UHFFFAOYSA-N 1 0 275.396 1.659 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1O ZINC000193595810 342565922 /nfs/dbraw/zinc/56/59/22/342565922.db2.gz OHZHRYGKFSEKJS-AMIZOPFISA-N 1 0 294.326 1.348 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237151372 282295687 /nfs/dbraw/zinc/29/56/87/282295687.db2.gz GAPDWDNRWYGZJS-RYUDHWBXSA-N 1 0 289.379 1.605 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000219829093 346232255 /nfs/dbraw/zinc/23/22/55/346232255.db2.gz YNOJTPOEFWEWHQ-JTQLQIEISA-N 1 0 271.158 1.688 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccccc1O ZINC000036794783 356884642 /nfs/dbraw/zinc/88/46/42/356884642.db2.gz SYKQWUHCGZPJKY-JQWIXIFHSA-N 1 0 250.342 1.958 20 10 CDCDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccccc1O ZINC000179587752 357213901 /nfs/dbraw/zinc/21/39/01/357213901.db2.gz IQUGMEBIMKWVMB-UHFFFAOYSA-N 1 0 250.342 1.596 20 10 CDCDRO CCOCCN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179669334 357219625 /nfs/dbraw/zinc/21/96/25/357219625.db2.gz WJFWNXQQMIEAPT-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO OCC[N@H+](Cc1cccnc1)Cc1cc(F)ccc1O ZINC000180073915 357241944 /nfs/dbraw/zinc/24/19/44/357241944.db2.gz UPYSQAFHVOJZST-UHFFFAOYSA-N 1 0 276.311 1.921 20 10 CDCDRO Cc1cccc(C[N@@H+](C)CCNC(=O)C(C)C)c1O ZINC000180797030 357289419 /nfs/dbraw/zinc/28/94/19/357289419.db2.gz PXQGGUFDDLLHIS-UHFFFAOYSA-N 1 0 264.369 1.905 20 10 CDCDRO C[C@]1(O)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000180198073 357250909 /nfs/dbraw/zinc/25/09/09/357250909.db2.gz JIQGHZCUNRXCTJ-ZDUSSCGKSA-N 1 0 251.282 1.078 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000051991446 357265043 /nfs/dbraw/zinc/26/50/43/357265043.db2.gz ZNQKEXFMNJIXGY-VXGBXAGGSA-N 1 0 251.326 1.794 20 10 CDCDRO FC(F)COCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000190898644 358099359 /nfs/dbraw/zinc/09/93/59/358099359.db2.gz IMTQSGJSKFXOJW-UHFFFAOYSA-N 1 0 257.280 1.993 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296897367 200029517 /nfs/dbraw/zinc/02/95/17/200029517.db2.gz OSPIYKLEHFFAKG-NWDGAFQWSA-N 1 0 251.326 1.367 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1cccc(C)c1O ZINC000124518177 360374899 /nfs/dbraw/zinc/37/48/99/360374899.db2.gz RFKBQXQYFUOFOE-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](CO)SC)c1O ZINC000152486700 361281544 /nfs/dbraw/zinc/28/15/44/361281544.db2.gz AIPRDVJCJDGSGZ-GXFFZTMASA-N 1 0 285.409 1.993 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000281524106 363816623 /nfs/dbraw/zinc/81/66/23/363816623.db2.gz HVBIELBKWZEIII-OCCSQVGLSA-N 1 0 266.385 1.801 20 10 CDCDRO C[S@@](=O)C1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000281724907 363841635 /nfs/dbraw/zinc/84/16/35/363841635.db2.gz ITVLHBFIXMFFKL-QGZVFWFLSA-N 1 0 257.330 1.532 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCNC1=O ZINC000269456094 364198063 /nfs/dbraw/zinc/19/80/63/364198063.db2.gz GZDGEZASYAXEJC-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c1 ZINC000271377498 364981998 /nfs/dbraw/zinc/98/19/98/364981998.db2.gz RBOIQEVTBPTTIP-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c1 ZINC000271377525 364982575 /nfs/dbraw/zinc/98/25/75/364982575.db2.gz RBOIQEVTBPTTIP-NHYWBVRUSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccccc1O ZINC000293800268 370803746 /nfs/dbraw/zinc/80/37/46/370803746.db2.gz UXXOFYIPRPIBJG-NSHDSACASA-N 1 0 260.341 1.804 20 10 CDCDRO C[C@H]([NH2+]CCN(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287183172 369113964 /nfs/dbraw/zinc/11/39/64/369113964.db2.gz VJKIDHDPIACPOA-ZDUSSCGKSA-N 1 0 295.402 1.875 20 10 CDCDRO COCCOCC[N@H+](C)Cc1cc(C)ccc1O ZINC000290238328 371276088 /nfs/dbraw/zinc/27/60/88/371276088.db2.gz ULIKCSPNWPEWKC-UHFFFAOYSA-N 1 0 253.342 1.795 20 10 CDCDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(F)ccc1O ZINC000295801137 371397083 /nfs/dbraw/zinc/39/70/83/371397083.db2.gz AHAKXXPGRWZQEP-NSHDSACASA-N 1 0 282.359 1.639 20 10 CDCDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC001580378485 1172418340 /nfs/dbraw/zinc/41/83/40/1172418340.db2.gz YVLIFYIQPUCUSW-GXSJLCMTSA-N 1 0 264.325 1.232 20 10 CDCDRO CC(C)[C@@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000116349593 374539607 /nfs/dbraw/zinc/53/96/07/374539607.db2.gz ROAMIVGINLILLP-NSHDSACASA-N 1 0 253.298 1.227 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296391306 378729044 /nfs/dbraw/zinc/72/90/44/378729044.db2.gz JVAYBLLZVZTXKE-GFCCVEGCSA-N 1 0 295.404 1.936 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000282126081 285166916 /nfs/dbraw/zinc/16/69/16/285166916.db2.gz FZHNLLJXERETQA-CYBMUJFWSA-N 1 0 252.358 1.240 20 10 CDCDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccco1 ZINC000174527826 391124158 /nfs/dbraw/zinc/12/41/58/391124158.db2.gz GABWTAWNXWNSIW-OAHLLOKOSA-N 1 0 291.303 1.711 20 10 CDCDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179526200 391209157 /nfs/dbraw/zinc/20/91/57/391209157.db2.gz FJIJGIQNQDZEAB-LBPRGKRZSA-N 1 0 292.379 1.820 20 10 CDCDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(N(C)C)c(F)c1 ZINC000271046228 391286177 /nfs/dbraw/zinc/28/61/77/391286177.db2.gz RHAASXBXNMDIRP-UHFFFAOYSA-N 1 0 267.348 1.587 20 10 CDCDRO COc1c(O)c(C[N@H+](C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000291063863 391632717 /nfs/dbraw/zinc/63/27/17/391632717.db2.gz KILQZGAMMVDRHQ-QMMMGPOBSA-N 1 0 270.285 1.122 20 10 CDCDRO CCNC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000036780408 172696787 /nfs/dbraw/zinc/69/67/87/172696787.db2.gz YICHPMSMSZLPRB-SECBINFHSA-N 1 0 252.314 1.188 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060812 174071735 /nfs/dbraw/zinc/07/17/35/174071735.db2.gz XVFDLGQVYUCQPD-VXGBXAGGSA-N 1 0 251.326 1.767 20 10 CDCDRO CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)[NH+](C)C ZINC000152503982 261064887 /nfs/dbraw/zinc/06/48/87/261064887.db2.gz JMANELFPCHATST-CQSZACIVSA-N 1 0 263.385 1.514 20 10 CDCDRO CC[C@H](C(=O)NCc1cccc(OC)c1O)[NH+](C)C ZINC000155365558 261101347 /nfs/dbraw/zinc/10/13/47/261101347.db2.gz QAUVEVIHNPDIRP-LLVKDONJSA-N 1 0 266.341 1.357 20 10 CDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000164296195 261346812 /nfs/dbraw/zinc/34/68/12/261346812.db2.gz IJFLQCAIDPEGMV-ZKANADHPSA-N 1 0 261.774 1.902 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c(O)c1 ZINC000186511321 262096502 /nfs/dbraw/zinc/09/65/02/262096502.db2.gz ASPVHCNDMYXJSC-LLVKDONJSA-N 1 0 288.351 1.504 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296703855 277222654 /nfs/dbraw/zinc/22/26/54/277222654.db2.gz HVTDIIQRMYDCMU-NSHDSACASA-N 1 0 262.353 1.741 20 10 CDCDRO [NH3+]CC1CCC(C(=O)NCc2ccccc2O)CC1 ZINC000083456419 1173465099 /nfs/dbraw/zinc/46/50/99/1173465099.db2.gz HECQZJZGGZCXKV-UHFFFAOYSA-N 1 0 262.353 1.774 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(O)c1O ZINC000272914737 328201535 /nfs/dbraw/zinc/20/15/35/328201535.db2.gz DNEFWWWWXSZIFO-DGCLKSJQSA-N 1 0 290.363 1.572 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+]2CCC1CC2 ZINC000188858604 329373762 /nfs/dbraw/zinc/37/37/62/329373762.db2.gz HSOHWQPIDRJYFX-DUXPYHPUSA-N 1 0 288.347 1.418 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136174377 334148671 /nfs/dbraw/zinc/14/86/71/334148671.db2.gz ZTHACHJEDDWSAD-HNNXBMFYSA-N 1 0 262.353 1.883 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001142508981 1160689161 /nfs/dbraw/zinc/68/91/61/1160689161.db2.gz RMAOISLZOUNSOE-LLVKDONJSA-N 1 0 286.322 1.433 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]CC2)c1O ZINC000050499152 518279489 /nfs/dbraw/zinc/27/94/89/518279489.db2.gz VMDNGZGXTYRERI-UHFFFAOYSA-N 1 0 268.744 1.653 20 10 CDCDRO CCOC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000069276356 520099100 /nfs/dbraw/zinc/09/91/00/520099100.db2.gz MUSVMXQEAPKQCE-HNNXBMFYSA-N 1 0 294.395 1.215 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H]2COC[C@@H]2OC)ccc1OC ZINC000289924380 520187923 /nfs/dbraw/zinc/18/79/23/520187923.db2.gz VPJYUPWBETXXQP-HOCLYGCPSA-N 1 0 295.379 1.735 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)CC(C)(CO)CO)c(O)c1 ZINC000093502806 520345743 /nfs/dbraw/zinc/34/57/43/520345743.db2.gz FSYFEWZMLBREFC-UHFFFAOYSA-N 1 0 297.395 1.604 20 10 CDCDRO CCCOc1ccc(C[N@H+](CC)CC(N)=O)c(O)c1 ZINC000188466588 520346346 /nfs/dbraw/zinc/34/63/46/520346346.db2.gz VSEASRPZYYPYOL-UHFFFAOYSA-N 1 0 266.341 1.488 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000096810797 522041330 /nfs/dbraw/zinc/04/13/30/522041330.db2.gz SVBZNHSNKIAPKD-GFCCVEGCSA-N 1 0 278.352 1.647 20 10 CDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000276553320 522055194 /nfs/dbraw/zinc/05/51/94/522055194.db2.gz KOPZEJOHLLSOTJ-SECBINFHSA-N 1 0 284.331 1.697 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1cccc(OC)c1O ZINC000289448605 523699408 /nfs/dbraw/zinc/69/94/08/523699408.db2.gz MVSXGFNFIUJVAU-UHFFFAOYSA-N 1 0 282.384 1.411 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000260202878 523715992 /nfs/dbraw/zinc/71/59/92/523715992.db2.gz VFSOYKQHURMXLN-CYBMUJFWSA-N 1 0 262.353 1.748 20 10 CDCDRO CN(C)C(=O)CN1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000069025056 523986110 /nfs/dbraw/zinc/98/61/10/523986110.db2.gz LTKPEDHYDJLKEX-UHFFFAOYSA-N 1 0 291.395 1.034 20 10 CDCDRO COCCOCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617988 524010914 /nfs/dbraw/zinc/01/09/14/524010914.db2.gz VMQNCSHZGYNASJ-SNVBAGLBSA-N 1 0 257.305 1.845 20 10 CDCDRO C[C@H]1CCC[N@H+](CCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276627398 524090446 /nfs/dbraw/zinc/09/04/46/524090446.db2.gz SAEFFSUCKZVIRJ-JTQLQIEISA-N 1 0 296.342 1.699 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000278909084 524771088 /nfs/dbraw/zinc/77/10/88/524771088.db2.gz VQDLSILAAOKLPF-PGUXBMHVSA-N 1 0 281.352 1.591 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(O)c1 ZINC000280875745 525924212 /nfs/dbraw/zinc/92/42/12/525924212.db2.gz NZQJQXFOUNTIOY-BFHYXJOUSA-N 1 0 279.380 1.996 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1O ZINC000292609236 526023737 /nfs/dbraw/zinc/02/37/37/526023737.db2.gz HYOXCJBAGOBWOU-NEPJUHHUSA-N 1 0 267.325 1.030 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000252706977 526039022 /nfs/dbraw/zinc/03/90/22/526039022.db2.gz VREGKZSDCSSFJG-HAQNSBGRSA-N 1 0 251.326 1.794 20 10 CDCDRO OCC[C@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000278593142 527573786 /nfs/dbraw/zinc/57/37/86/527573786.db2.gz FCRNCGWKXMTAGH-ZDUSSCGKSA-N 1 0 255.289 1.162 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)Cc2cnccn2)c(O)c1 ZINC000725849635 574444665 /nfs/dbraw/zinc/44/46/65/574444665.db2.gz SOFCJBLHAKAAGD-LLVKDONJSA-N 1 0 273.336 1.912 20 10 CDCDRO CCC[N@H+](C)CC(=O)N(C)Cc1ccccc1O ZINC000730278322 574908689 /nfs/dbraw/zinc/90/86/89/574908689.db2.gz PKSAVFMOPTXQOZ-UHFFFAOYSA-N 1 0 250.342 1.692 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCN(CCOC)C2)c(O)c1 ZINC000730817105 575012479 /nfs/dbraw/zinc/01/24/79/575012479.db2.gz HJQYOCSGXVFUNW-AWEZNQCLSA-N 1 0 294.395 1.601 20 10 CDCDRO CC[NH+]1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768137560 575123350 /nfs/dbraw/zinc/12/33/50/575123350.db2.gz IPKYCANIQGHMMR-UHFFFAOYSA-N 1 0 250.342 1.538 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CO)C2CC2)c(O)c1 ZINC000734163205 575161086 /nfs/dbraw/zinc/16/10/86/575161086.db2.gz BZZQKJYLWXBFCU-CYBMUJFWSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000769935735 575398770 /nfs/dbraw/zinc/39/87/70/575398770.db2.gz QBRIHGARBJWXCF-NSHDSACASA-N 1 0 294.351 1.721 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cc(F)ccc2O)CCCOC1 ZINC000770672601 575483986 /nfs/dbraw/zinc/48/39/86/575483986.db2.gz ARPDNUAQWLZUOZ-OAHLLOKOSA-N 1 0 297.326 1.733 20 10 CDCDRO CN1CC[C@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1=O ZINC000738271911 576055550 /nfs/dbraw/zinc/05/55/50/576055550.db2.gz GWEWDYSNNPMEBQ-AWEZNQCLSA-N 1 0 285.347 1.603 20 10 CDCDRO C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000768140748 576259949 /nfs/dbraw/zinc/25/99/49/576259949.db2.gz VLKMBSAPNXYRTN-NSHDSACASA-N 1 0 251.349 1.685 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCCOCC1)[C@@H](O)CO2 ZINC000768445778 576284037 /nfs/dbraw/zinc/28/40/37/576284037.db2.gz UIVMELBVDICEAW-ZDUSSCGKSA-N 1 0 265.309 1.040 20 10 CDCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462077 576286294 /nfs/dbraw/zinc/28/62/94/576286294.db2.gz IVLLOPSHIPMIOK-ITDIGPHOSA-N 1 0 293.363 1.553 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000748558275 576917245 /nfs/dbraw/zinc/91/72/45/576917245.db2.gz XIHFZZYHULIGJQ-HNNXBMFYSA-N 1 0 275.396 1.805 20 10 CDCDRO C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000819895512 598182343 /nfs/dbraw/zinc/18/23/43/598182343.db2.gz LZFJKKXJDXSSBA-CYBMUJFWSA-N 1 0 291.395 1.343 20 10 CDCDRO CC[C@@H](CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000123847545 1175274224 /nfs/dbraw/zinc/27/42/24/1175274224.db2.gz MFULTZGXYNHDKL-JTQLQIEISA-N 1 0 253.298 1.372 20 10 CDCDRO CC[NH2+]CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000891996841 617396781 /nfs/dbraw/zinc/39/67/81/617396781.db2.gz IUWUCNQARYXTIJ-JTQLQIEISA-N 1 0 251.330 1.362 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000891456868 617420479 /nfs/dbraw/zinc/42/04/79/617420479.db2.gz UEMHMGFYIQQQJP-TXEJJXNPSA-N 1 0 294.374 1.428 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891651401 617522691 /nfs/dbraw/zinc/52/26/91/617522691.db2.gz QLBPPIZOEAACEM-LLVKDONJSA-N 1 0 295.335 1.404 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)c(O)c1OC ZINC000892668785 617574872 /nfs/dbraw/zinc/57/48/72/617574872.db2.gz MWGUPXZKHJCIOD-SECBINFHSA-N 1 0 295.257 1.422 20 10 CDCDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000840980439 617994256 /nfs/dbraw/zinc/99/42/56/617994256.db2.gz ZXKXEIREFWYUJG-MNOVXSKESA-N 1 0 279.336 1.714 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933528 618140931 /nfs/dbraw/zinc/14/09/31/618140931.db2.gz GMKYGMOUYYORBK-HNNXBMFYSA-N 1 0 266.385 1.548 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)c1OC ZINC000893949443 618215155 /nfs/dbraw/zinc/21/51/55/618215155.db2.gz NQCDTRCVGWKZCT-KOLCDFICSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CC[C@@H](C)O)c1O ZINC000894034656 618252948 /nfs/dbraw/zinc/25/29/48/618252948.db2.gz UDAZHJHTPJTQRF-LLVKDONJSA-N 1 0 253.342 1.912 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1 ZINC000818233395 618502893 /nfs/dbraw/zinc/50/28/93/618502893.db2.gz LMUIBXPPLZCXPF-GFCCVEGCSA-N 1 0 292.335 1.028 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000822504567 618549854 /nfs/dbraw/zinc/54/98/54/618549854.db2.gz VPWXZUFRSQONKT-ZDUSSCGKSA-N 1 0 288.351 1.829 20 10 CDCDRO COc1ccc(C[NH2+]CCC2(O)CCC2)c(O)c1OC ZINC000894305615 618556243 /nfs/dbraw/zinc/55/62/43/618556243.db2.gz OFRHEQYLVRLMNK-UHFFFAOYSA-N 1 0 281.352 1.804 20 10 CDCDRO Cc1cc(Br)cc(CN[C@@H]2CC[NH2+]C2)c1O ZINC000841044802 618678553 /nfs/dbraw/zinc/67/85/53/618678553.db2.gz IKHJNRCHKDVEKK-LLVKDONJSA-N 1 0 285.185 1.915 20 10 CDCDRO CCOc1ccc(O)c(CN2CCCO[C@H](C[NH3+])C2)c1 ZINC000841101198 618682991 /nfs/dbraw/zinc/68/29/91/618682991.db2.gz RMAHHCZQDWEEJN-CQSZACIVSA-N 1 0 280.368 1.341 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)CC(F)F)c1O ZINC000894568015 618967392 /nfs/dbraw/zinc/96/73/92/618967392.db2.gz VAJFHAHRKBXYML-JTQLQIEISA-N 1 0 275.295 1.815 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2CCN(OC)CC2)c1O ZINC000895037013 619213205 /nfs/dbraw/zinc/21/32/05/619213205.db2.gz ZDARFXPCKCLQCR-UHFFFAOYSA-N 1 0 280.368 1.825 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788269437 619325957 /nfs/dbraw/zinc/32/59/57/619325957.db2.gz NRFLFQBXIVWNQJ-PWSUYJOCSA-N 1 0 251.326 1.746 20 10 CDCDRO O=CN1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000895155534 619369244 /nfs/dbraw/zinc/36/92/44/619369244.db2.gz KRRLZMSRSZWUCG-UHFFFAOYSA-N 1 0 268.744 1.756 20 10 CDCDRO COc1ccc(C[N@H+](C[C@H](C)O)C2CC2)c(O)c1OC ZINC000895231309 619467459 /nfs/dbraw/zinc/46/74/59/619467459.db2.gz YAARAHVMKVBBEQ-JTQLQIEISA-N 1 0 281.352 1.755 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1O ZINC000895325591 619562638 /nfs/dbraw/zinc/56/26/38/619562638.db2.gz SWKDKVHICZPYGO-CYBMUJFWSA-N 1 0 278.352 1.323 20 10 CDCDRO COc1ccc(CN2CCc3n[nH]cc3C2)c(O)c1OC ZINC000895540106 619719808 /nfs/dbraw/zinc/71/98/08/619719808.db2.gz BBPNBCXRPVOVNN-UHFFFAOYSA-N 1 0 289.335 1.691 20 10 CDCDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000897068845 620368364 /nfs/dbraw/zinc/36/83/64/620368364.db2.gz ZBDXDPZXOMSTCC-NSHDSACASA-N 1 0 296.323 1.920 20 10 CDCDRO [NH3+]CC[C@@H](NCc1ccc2c(c1)CCO2)C(F)F ZINC000841072250 624416524 /nfs/dbraw/zinc/41/65/24/624416524.db2.gz MKUOWIBTDQYIKB-LLVKDONJSA-N 1 0 256.296 1.694 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CC3(N)CC3)CC2)cc1 ZINC000902415876 624776739 /nfs/dbraw/zinc/77/67/39/624776739.db2.gz LPZIJTMUMXMING-UHFFFAOYSA-N 1 0 275.396 1.745 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(N)=O ZINC000157072121 630582816 /nfs/dbraw/zinc/58/28/16/630582816.db2.gz HJMUKPZGTPFVSG-JTQLQIEISA-N 1 0 279.340 1.188 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CC(=O)N(C)C)c1O ZINC000916568165 632024706 /nfs/dbraw/zinc/02/47/06/632024706.db2.gz KLDMNDKKGSPTAL-UHFFFAOYSA-N 1 0 266.341 1.229 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC000250067180 1158801393 /nfs/dbraw/zinc/80/13/93/1158801393.db2.gz NPCMFAJIIIHOTE-GXFFZTMASA-N 1 0 251.326 1.604 20 10 CDCDRO CCN1CCc2cc(O[C@@H]3C[NH2+]C[C@@H]3F)ccc21 ZINC001218001079 1159434429 /nfs/dbraw/zinc/43/44/29/1159434429.db2.gz OBNGKHQJGFTHTD-GXTWGEPZSA-N 1 0 250.317 1.758 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CNC(C)=O)c1 ZINC000877676280 1166078277 /nfs/dbraw/zinc/07/82/77/1166078277.db2.gz ZTRRYHHHBXCHPH-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCSC[C@@H]2CO)cc1OC ZINC000877779406 1166097067 /nfs/dbraw/zinc/09/70/67/1166097067.db2.gz CJBQYLSSTYRUEI-NSHDSACASA-N 1 0 299.392 1.319 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCc1c(O)cccc1F ZINC001579452258 1172183874 /nfs/dbraw/zinc/18/38/74/1172183874.db2.gz FYTQYDBJNCKQBL-GHMZBOCLSA-N 1 0 295.358 1.576 20 10 CDCDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc2cc(O)c(O)cc2s1 ZINC001580608217 1172480964 /nfs/dbraw/zinc/48/09/64/1172480964.db2.gz RQQYTHBWWNYDLE-VIFPVBQESA-N 1 0 292.360 1.794 20 10 CDCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984556 1164195791 /nfs/dbraw/zinc/19/57/91/1164195791.db2.gz CBIDRXLYTHYELQ-NSHDSACASA-N 1 0 272.389 1.705 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2ccc3ccccc3c2O)CC[C@H]1O ZINC001206097112 1164227958 /nfs/dbraw/zinc/22/79/58/1164227958.db2.gz IIRGJTJZYCZWEK-HUUCEWRRSA-N 1 0 272.348 1.439 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Cl)ccc1O ZINC000866419402 782207040 /nfs/dbraw/zinc/20/70/40/782207040.db2.gz BIPSRAFOOAGPEZ-XXFPWJFMSA-N 1 0 257.717 1.456 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000865706508 1164682742 /nfs/dbraw/zinc/68/27/42/1164682742.db2.gz AUJQOFYIUXGACS-UHFFFAOYSA-N 1 0 292.788 1.075 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C2([NH3+])CCC2)cc1 ZINC000846696857 782332364 /nfs/dbraw/zinc/33/23/64/782332364.db2.gz IJTSCRNHIBRJMX-UHFFFAOYSA-N 1 0 291.395 1.471 20 10 CDCDRO Nc1ccc(NC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000841298428 782334563 /nfs/dbraw/zinc/33/45/63/782334563.db2.gz PDDVNWKOTAHTLF-OKILXGFUSA-N 1 0 290.367 1.254 20 10 CDCDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000841881940 782433595 /nfs/dbraw/zinc/43/35/95/782433595.db2.gz FIJLXGSBIIMKFV-NHYWBVRUSA-N 1 0 290.411 1.850 20 10 CDCDRO CNC(=O)CN(C)Cc1cc(Cl)cc(C)c1O ZINC000827863054 782445983 /nfs/dbraw/zinc/44/59/83/782445983.db2.gz ZBNIKIVRSPUNDY-UHFFFAOYSA-N 1 0 256.733 1.532 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000829764241 782446599 /nfs/dbraw/zinc/44/65/99/782446599.db2.gz HNTVLPLCWZINOR-LBPRGKRZSA-N 1 0 285.338 1.660 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1 ZINC000089752070 782498991 /nfs/dbraw/zinc/49/89/91/782498991.db2.gz RDTRPYAQZIMGHC-GWCFXTLKSA-N 1 0 275.352 1.208 20 10 CDCDRO CO[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849261 782513691 /nfs/dbraw/zinc/51/36/91/782513691.db2.gz DEMRUSPWUSUWLX-ZDUSSCGKSA-N 1 0 291.395 1.090 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000122972764 780870722 /nfs/dbraw/zinc/87/07/22/780870722.db2.gz SJFXPEMSGFHNCG-HNNXBMFYSA-N 1 0 264.369 1.648 20 10 CDCDRO COC(=O)c1ccc(O)c([C@H](C)NCC[NH2+]C2CC2)c1 ZINC000817952554 782614369 /nfs/dbraw/zinc/61/43/69/782614369.db2.gz FVVTYJHYPSVCKH-JTQLQIEISA-N 1 0 278.352 1.581 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817959943 782662903 /nfs/dbraw/zinc/66/29/03/782662903.db2.gz IBEVZPDGMJYLLT-SECBINFHSA-N 1 0 266.341 1.567 20 10 CDCDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCCc1ccc(N)cc1 ZINC000884028264 782754133 /nfs/dbraw/zinc/75/41/33/782754133.db2.gz BSGGEGUSMUZRMH-CQSZACIVSA-N 1 0 277.412 1.937 20 10 CDCDRO CC[S@](=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310229418 782757115 /nfs/dbraw/zinc/75/71/15/782757115.db2.gz GSLJYKZUQKZJTN-GTNSWQLSSA-N 1 0 253.367 1.738 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000397519357 782815530 /nfs/dbraw/zinc/81/55/30/782815530.db2.gz CQSDHZNQXCFYDN-UHFFFAOYSA-N 1 0 291.395 1.786 20 10 CDCDRO COc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000862446115 782862873 /nfs/dbraw/zinc/86/28/73/782862873.db2.gz QNHIINNXKPWHFF-KBPBESRZSA-N 1 0 295.379 1.236 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)c1 ZINC000788270368 783298765 /nfs/dbraw/zinc/29/87/65/783298765.db2.gz RHNFAEMHKXRDPA-PWSUYJOCSA-N 1 0 251.326 1.746 20 10 CDCDRO C[NH2+]C[C@@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000853249096 783019028 /nfs/dbraw/zinc/01/90/28/783019028.db2.gz NEQHSMDVJPIIAF-MRVPVSSYSA-N 1 0 258.749 1.752 20 10 CDCDRO Cc1ccc(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c(O)c1 ZINC000877487052 783047089 /nfs/dbraw/zinc/04/70/89/783047089.db2.gz BONWLFDXUBDNNV-KBPBESRZSA-N 1 0 278.396 1.588 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(F)ccc1O ZINC000702652930 783075119 /nfs/dbraw/zinc/07/51/19/783075119.db2.gz NRBAWTWARJNHQE-IINYFYTJSA-N 1 0 268.332 1.249 20 10 CDCDRO CCC[NH2+]CCN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817963707 783195518 /nfs/dbraw/zinc/19/55/18/783195518.db2.gz XGTFLSFJAQQVLM-LLVKDONJSA-N 1 0 280.368 1.829 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(C)cc1O ZINC000877115835 1165979293 /nfs/dbraw/zinc/97/92/93/1165979293.db2.gz IBVMHGRSSUNPDD-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)S(C)(=O)=O ZINC000921931700 780219279 /nfs/dbraw/zinc/21/92/79/780219279.db2.gz AYIYSVRZYIBZNY-LLVKDONJSA-N 1 0 283.393 1.534 20 10 CDCDRO COCc1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350608 780270558 /nfs/dbraw/zinc/27/05/58/780270558.db2.gz PTBRVSOVMYYHKZ-UHFFFAOYSA-N 1 0 288.351 1.628 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000846140146 780399286 /nfs/dbraw/zinc/39/92/86/780399286.db2.gz HKHAOUSXGREETN-QWHCGFSZSA-N 1 0 294.395 1.772 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1O ZINC000846146613 780716411 /nfs/dbraw/zinc/71/64/11/780716411.db2.gz RHTACKLGGFLRGU-OLZOCXBDSA-N 1 0 294.395 1.772 20 10 CDCDRO CO[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOC1 ZINC000389169749 780824114 /nfs/dbraw/zinc/82/41/14/780824114.db2.gz HUYGDZLWJXOFBT-SWLSCSKDSA-N 1 0 263.337 1.775 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848926788 780864813 /nfs/dbraw/zinc/86/48/13/780864813.db2.gz ZRALEEZZWPHZOF-CYBMUJFWSA-N 1 0 286.379 1.730 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[NH+](C)C)cc1 ZINC000846442780 780923168 /nfs/dbraw/zinc/92/31/68/780923168.db2.gz XFNPTQBQBNAZRF-ZDUSSCGKSA-N 1 0 293.411 1.540 20 10 CDCDRO CC[NH2+]CCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000236984843 781013396 /nfs/dbraw/zinc/01/33/96/781013396.db2.gz CNJRFELJHFKOJY-UHFFFAOYSA-N 1 0 286.379 1.828 20 10 CDCDRO O[C@H](CNCc1ccc2c(c1)CCCO2)C[NH+]1CCCC1 ZINC000921586071 781243455 /nfs/dbraw/zinc/24/34/55/781243455.db2.gz IFHXGMKPLDJPPJ-MRXNPFEDSA-N 1 0 290.407 1.558 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468106 781556657 /nfs/dbraw/zinc/55/66/57/781556657.db2.gz YWGAZKSACHRSNX-DYVFJYSZSA-N 1 0 290.407 1.603 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H](C)O1 ZINC000877465163 781580298 /nfs/dbraw/zinc/58/02/98/781580298.db2.gz VNKFYHCCZPIJHV-CHWSQXEVSA-N 1 0 265.353 1.936 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(Cl)cc1O ZINC000866420562 781599097 /nfs/dbraw/zinc/59/90/97/781599097.db2.gz PNFUXXMTUGXDER-XXFPWJFMSA-N 1 0 257.717 1.456 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000825737113 781678198 /nfs/dbraw/zinc/67/81/98/781678198.db2.gz SMSWSGOLVRMOQQ-DMDPSCGWSA-N 1 0 292.379 1.918 20 10 CDCDRO OCCCN1CCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000824559036 781705084 /nfs/dbraw/zinc/70/50/84/781705084.db2.gz CYRPWUWBDDSILJ-GFCCVEGCSA-N 1 0 298.814 1.982 20 10 CDCDRO CN(C)c1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)cc1F ZINC000818984588 781722196 /nfs/dbraw/zinc/72/21/96/781722196.db2.gz CULCTHKAJGHUFO-AWEZNQCLSA-N 1 0 295.402 1.436 20 10 CDCDRO COCC1(C(=O)NCc2ccccc2O)CC[NH2+]CC1 ZINC000234664570 781738111 /nfs/dbraw/zinc/73/81/11/781738111.db2.gz MNIZUNBHLWEYOT-UHFFFAOYSA-N 1 0 278.352 1.025 20 10 CDCDRO CCS(=O)(=O)NCCCN(C)c1ccc(N)cc1 ZINC000863558323 781826540 /nfs/dbraw/zinc/82/65/40/781826540.db2.gz FPGFTGQIRNKGSY-UHFFFAOYSA-N 1 0 271.386 1.034 20 10 CDCDRO O[C@H]1C[NH+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000862446076 781884214 /nfs/dbraw/zinc/88/42/14/781884214.db2.gz OUYTYOGSOZBEDM-HOTGVXAUSA-N 1 0 276.380 1.214 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Cl)cc1O ZINC000841752216 783252931 /nfs/dbraw/zinc/25/29/31/783252931.db2.gz NBITWEQFAKIDFJ-HZMBPMFUSA-N 1 0 284.787 1.763 20 10 CDCDRO OCC1(O)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000827147158 783355722 /nfs/dbraw/zinc/35/57/22/783355722.db2.gz MWPKSJMZKMMQBJ-UHFFFAOYSA-N 1 0 271.744 1.365 20 10 CDCDRO COCC[NH2+]Cc1c(O)cccc1Br ZINC000706821312 783386631 /nfs/dbraw/zinc/38/66/31/783386631.db2.gz BZWKIXGAZVMHKT-UHFFFAOYSA-N 1 0 260.131 1.891 20 10 CDCDRO Oc1c(CN2C[C@H]3C[NH2+]C[C@@H]32)cccc1C(F)(F)F ZINC001236294553 914899010 /nfs/dbraw/zinc/89/90/10/914899010.db2.gz OWRSAPXWSUMTRR-KOLCDFICSA-N 1 0 272.270 1.815 20 10 CDCDRO Oc1ccccc1C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173733865 912753956 /nfs/dbraw/zinc/75/39/56/912753956.db2.gz KJMDNUQTUBODOL-QWHCGFSZSA-N 1 0 273.340 1.652 20 10 CDCDRO Oc1ccccc1C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173733866 912754965 /nfs/dbraw/zinc/75/49/65/912754965.db2.gz KJMDNUQTUBODOL-STQMWFEESA-N 1 0 273.340 1.652 20 10 CDCDRO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000036959689 894348750 /nfs/dbraw/zinc/34/87/50/894348750.db2.gz HMTMSHSYJXZWAS-GHMZBOCLSA-N 1 0 280.368 1.966 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1C ZINC000069142123 895181510 /nfs/dbraw/zinc/18/15/10/895181510.db2.gz QJEZZVQAUQFGAD-CYBMUJFWSA-N 1 0 283.393 1.670 20 10 CDCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463091 896173298 /nfs/dbraw/zinc/17/32/98/896173298.db2.gz SDMRBPHCFNJUAN-KGLIPLIRSA-N 1 0 285.771 1.611 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@]1(C)O ZINC001141156363 899822456 /nfs/dbraw/zinc/82/24/56/899822456.db2.gz KUPXNIQOZKLBFP-HZMBPMFUSA-N 1 0 251.326 1.691 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)NS(C)(=O)=O)c1 ZINC000067006027 901469332 /nfs/dbraw/zinc/46/93/32/901469332.db2.gz PUCVJFJGFFQEQR-UHFFFAOYSA-N 1 0 286.397 1.118 20 10 CDCDRO COCC[C@]1([NH2+]Cc2cc(OC)ccc2O)CCOC1 ZINC000775201062 921202483 /nfs/dbraw/zinc/20/24/83/921202483.db2.gz BMUVKZBGJXJSSJ-HNNXBMFYSA-N 1 0 281.352 1.686 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@H](CO)C2)c1O ZINC000848906006 906528254 /nfs/dbraw/zinc/52/82/54/906528254.db2.gz PLVLKWHZYHQMFR-FZMZJTMJSA-N 1 0 265.353 1.536 20 10 CDCDRO CCOc1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204801937 906999592 /nfs/dbraw/zinc/99/95/92/906999592.db2.gz XJQRXPXBJRYTGO-CQSZACIVSA-N 1 0 250.342 1.714 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841944070 908830290 /nfs/dbraw/zinc/83/02/90/908830290.db2.gz VMEAXDDWRQWYGS-OAHLLOKOSA-N 1 0 292.427 1.877 20 10 CDCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000842226188 909589115 /nfs/dbraw/zinc/58/91/15/909589115.db2.gz MBXMLTSWEIHOGT-UONOGXRCSA-N 1 0 267.369 1.615 20 10 CDCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000228074694 911824840 /nfs/dbraw/zinc/82/48/40/911824840.db2.gz SZSVZMRHIWMYET-IUCAKERBSA-N 1 0 253.298 1.370 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC[C@H]1F ZINC001206187338 912139082 /nfs/dbraw/zinc/13/90/82/912139082.db2.gz SSSPQMHCIAMTEH-VXGBXAGGSA-N 1 0 282.315 1.352 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)ccc1N(C)C ZINC001139669553 936318824 /nfs/dbraw/zinc/31/88/24/936318824.db2.gz AJGMHTOXPBNOBX-IRXDYDNUSA-N 1 0 292.423 1.626 20 10 CDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000071300493 917436431 /nfs/dbraw/zinc/43/64/31/917436431.db2.gz PZZVJBIRTHJXTM-MRXNPFEDSA-N 1 0 276.380 1.384 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc(O)c1O ZINC001204343415 917914324 /nfs/dbraw/zinc/91/43/24/917914324.db2.gz PNYGJNQZWJLXHG-ZUZCIYMTSA-N 1 0 281.352 1.699 20 10 CDCDRO [NH3+][C@H](CC(F)F)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597959 936464684 /nfs/dbraw/zinc/46/46/84/936464684.db2.gz WULABSOMRJEKMY-GFCCVEGCSA-N 1 0 298.333 1.870 20 10 CDCDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320694 936587015 /nfs/dbraw/zinc/58/70/15/936587015.db2.gz MTKFHVDYLXWWEC-LBPRGKRZSA-N 1 0 293.436 1.593 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c1 ZINC001203669997 920684565 /nfs/dbraw/zinc/68/45/65/920684565.db2.gz JMKWHBTXBIQXEM-SMDDNHRTSA-N 1 0 265.353 1.994 20 10 CDCDRO C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)ccc1O ZINC001140058528 936674892 /nfs/dbraw/zinc/67/48/92/936674892.db2.gz FVTWAIVHPFWVCG-UHFFFAOYSA-N 1 0 281.375 1.211 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001140178492 936684616 /nfs/dbraw/zinc/68/46/16/936684616.db2.gz MPLFYRMGTWDULQ-ZBFHGGJFSA-N 1 0 279.380 1.574 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]21 ZINC001140182676 936684921 /nfs/dbraw/zinc/68/49/21/936684921.db2.gz XAKRASVCPJOEND-WDNDVIMCSA-N 1 0 275.348 1.860 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CCCO1 ZINC001140184761 936685303 /nfs/dbraw/zinc/68/53/03/936685303.db2.gz HFXGZTUENMUCDO-AWEZNQCLSA-N 1 0 293.363 1.773 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N3)CC2)c1 ZINC001203681058 920972806 /nfs/dbraw/zinc/97/28/06/920972806.db2.gz 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C[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)CC[N@@H+]1C ZINC000841835987 937017040 /nfs/dbraw/zinc/01/70/40/937017040.db2.gz JMTSBUUWCWVOEE-SWLSCSKDSA-N 1 0 290.411 1.593 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@]1(O)CCSC1)OCO2 ZINC000702246714 925770655 /nfs/dbraw/zinc/77/06/55/925770655.db2.gz JLZXUQFIFNQZPL-CYBMUJFWSA-N 1 0 283.349 1.079 20 10 CDCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000829425456 926264916 /nfs/dbraw/zinc/26/49/16/926264916.db2.gz AHCRSMMKRMYFBR-BBRMVZONSA-N 1 0 276.380 1.648 20 10 CDCDRO Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000776167814 926294154 /nfs/dbraw/zinc/29/41/54/926294154.db2.gz GCWNBPCYXJJLCJ-UHFFFAOYSA-N 1 0 299.422 1.462 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000842669789 937070696 /nfs/dbraw/zinc/07/06/96/937070696.db2.gz CVOUONCAZFAWCH-GXTWGEPZSA-N 1 0 294.370 1.929 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000842751911 937077158 /nfs/dbraw/zinc/07/71/58/937077158.db2.gz CADNPQJSBRLOQJ-TZMCWYRMSA-N 1 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/nfs/dbraw/zinc/48/05/75/931480575.db2.gz TUNJIXXLECZYLC-GOEBONIOSA-N 1 0 277.364 1.763 20 10 CDCDRO COc1cccc(O)c1CNc1cnn(CC[NH+](C)C)c1 ZINC000844269324 931567708 /nfs/dbraw/zinc/56/77/08/931567708.db2.gz GOKHQYZKFIXANQ-UHFFFAOYSA-N 1 0 290.367 1.771 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000844927335 931730212 /nfs/dbraw/zinc/73/02/12/931730212.db2.gz YRYLIJPYBREBAG-GFCCVEGCSA-N 1 0 297.786 1.939 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@@]1(C)O ZINC001144504376 931865054 /nfs/dbraw/zinc/86/50/54/931865054.db2.gz RHLFCZIEIBPQAH-ZUZCIYMTSA-N 1 0 281.352 1.786 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](C)C1 ZINC001144520385 931871877 /nfs/dbraw/zinc/87/18/77/931871877.db2.gz OKULQXSFNHZVHD-GXSJLCMTSA-N 1 0 267.325 1.803 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000846156291 931981844 /nfs/dbraw/zinc/98/18/44/931981844.db2.gz DBLAEDUYKCTGSG-VHSXEESVSA-N 1 0 287.381 1.485 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2COC[C@H]2OC)c1O ZINC000846167810 931984199 /nfs/dbraw/zinc/98/41/99/931984199.db2.gz DZPXBTPJLHDGOO-SUZMYJTESA-N 1 0 267.325 1.465 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001276080937 932496944 /nfs/dbraw/zinc/49/69/44/932496944.db2.gz YLFAPMTUTSCMGO-OKILXGFUSA-N 1 0 262.353 1.215 20 10 CDCDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)OC)cc1C ZINC001155243724 937653162 /nfs/dbraw/zinc/65/31/62/937653162.db2.gz UHNBFZCDGTVNCB-CYBMUJFWSA-N 1 0 294.395 1.634 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC001120486504 937802709 /nfs/dbraw/zinc/80/27/09/937802709.db2.gz UYBQPEDVHJUXSU-GJZGRUSLSA-N 1 0 288.395 1.695 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001120677329 937824785 /nfs/dbraw/zinc/82/47/85/937824785.db2.gz NRKOXJHIJNJAIZ-MFKMUULPSA-N 1 0 262.357 1.148 20 10 CDCDRO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120676898 937824991 /nfs/dbraw/zinc/82/49/91/937824991.db2.gz FYXMFTKZCZDDHV-CYBMUJFWSA-N 1 0 276.384 1.410 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2F)[NH+](C)C)cc1 ZINC001121170462 937859880 /nfs/dbraw/zinc/85/98/80/937859880.db2.gz HIYSSAGVYFAYCK-KFWWJZLASA-N 1 0 293.386 1.830 20 10 CDCDRO Nc1ccc(Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC001159123131 938704951 /nfs/dbraw/zinc/70/49/51/938704951.db2.gz XMRSHZVERBCXNA-UHFFFAOYSA-N 1 0 269.352 1.817 20 10 CDCDRO Cc1cc(C)c(CNc2cc(C[NH3+])ncn2)c(O)c1 ZINC001160808673 938829142 /nfs/dbraw/zinc/82/91/42/938829142.db2.gz XZAYXUMNPONZOD-UHFFFAOYSA-N 1 0 258.325 1.870 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c1O ZINC001203594369 939694775 /nfs/dbraw/zinc/69/47/75/939694775.db2.gz WYBGRPPIFCIHSI-CHWSQXEVSA-N 1 0 290.363 1.596 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1O ZINC001203589002 939695014 /nfs/dbraw/zinc/69/50/14/939695014.db2.gz AOJLCIHXKLIOLY-ZDUSSCGKSA-N 1 0 293.363 1.517 20 10 CDCDRO CN(C)C(=O)C1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001203657462 939699825 /nfs/dbraw/zinc/69/98/25/939699825.db2.gz KZEAQQUWQUHUON-UHFFFAOYSA-N 1 0 268.744 1.566 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203873545 939709761 /nfs/dbraw/zinc/70/97/61/939709761.db2.gz FDNLHDNFFYYWKL-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(O)c(O)c2)C(C)C)C1 ZINC001203878719 939710728 /nfs/dbraw/zinc/71/07/28/939710728.db2.gz AWXBDTHCGAAGDH-CQSZACIVSA-N 1 0 292.379 1.929 20 10 CDCDRO C[N@H+](CCC1OCCO1)Cc1ccc(O)c(O)c1 ZINC001203880346 939710912 /nfs/dbraw/zinc/71/09/12/939710912.db2.gz OPMDKVSZJWVLSJ-UHFFFAOYSA-N 1 0 253.298 1.293 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]12 ZINC001203884766 939711965 /nfs/dbraw/zinc/71/19/65/939711965.db2.gz ZCFZNPOHCPTENZ-VXGBXAGGSA-N 1 0 261.321 1.899 20 10 CDCDRO NC(=O)C1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204322935 939755800 /nfs/dbraw/zinc/75/58/00/939755800.db2.gz WAZSZCZXQHLSRY-UHFFFAOYSA-N 1 0 259.353 1.204 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)CO ZINC001204328206 939756673 /nfs/dbraw/zinc/75/66/73/939756673.db2.gz RAIPOOXDBMLDDO-OAHLLOKOSA-N 1 0 264.369 1.072 20 10 CDCDRO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc(O)c1O ZINC001204343573 939757349 /nfs/dbraw/zinc/75/73/49/939757349.db2.gz UCGOOWYZEWMCNT-CYBMUJFWSA-N 1 0 292.379 1.777 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc(O)c1O ZINC001204344101 939758697 /nfs/dbraw/zinc/75/86/97/939758697.db2.gz UZRZGYLKRDPKFV-MWLCHTKSSA-N 1 0 267.325 1.452 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc(O)c1O ZINC001204351072 939758970 /nfs/dbraw/zinc/75/89/70/939758970.db2.gz MQIJCTSOTXJNSA-NWDGAFQWSA-N 1 0 291.347 1.907 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCCNC(=O)C2)c(O)c1 ZINC001207424617 940193094 /nfs/dbraw/zinc/19/30/94/940193094.db2.gz VQDIGEHPGZHMKJ-UHFFFAOYSA-N 1 0 264.325 1.031 20 10 CDCDRO C[C@@H]([NH3+])C(=O)n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001218581075 941240835 /nfs/dbraw/zinc/24/08/35/941240835.db2.gz DMFICUMIZNTMCX-RXWMKKSRSA-N 1 0 284.323 1.953 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCNC[C@@]3(CCCCN3)C2)c1O ZINC001222681890 941625823 /nfs/dbraw/zinc/62/58/23/941625823.db2.gz WYCYQHASQLJLET-KRWDZBQOSA-N 1 0 289.423 1.618 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)cc1 ZINC001276958285 941731684 /nfs/dbraw/zinc/73/16/84/941731684.db2.gz IPWGQVVAHAMTEN-HNNXBMFYSA-N 1 0 287.407 1.840 20 10 CDCDRO NC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001277209665 942177280 /nfs/dbraw/zinc/17/72/80/942177280.db2.gz JUKQPAXYVRJLMC-WMLDXEAASA-N 1 0 285.391 1.737 20 10 CDCDRO NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001277442516 942578787 /nfs/dbraw/zinc/57/87/87/942578787.db2.gz WTIHTNSBFHFQHG-CJNGLKHVSA-N 1 0 274.364 1.870 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1 ZINC000817415516 942614501 /nfs/dbraw/zinc/61/45/01/942614501.db2.gz YDYPLHTYBWMHJO-ZYHUDNBSSA-N 1 0 251.326 1.746 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1O ZINC001231586121 942935948 /nfs/dbraw/zinc/93/59/48/942935948.db2.gz AMKDBJSCUFUPOD-CJNGLKHVSA-N 1 0 287.359 1.721 20 10 CDCDRO COC[C@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC001231595429 942940668 /nfs/dbraw/zinc/94/06/68/942940668.db2.gz ZYOCBKWMVWEXQN-ZDUSSCGKSA-N 1 0 251.326 1.548 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC3(COC3)C2)c(O)cc1O ZINC001231633841 942948788 /nfs/dbraw/zinc/94/87/88/942948788.db2.gz ZXFRNQJDRQZHTE-UHFFFAOYSA-N 1 0 279.336 1.719 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c(O)cc1O ZINC001231635424 942951112 /nfs/dbraw/zinc/95/11/12/942951112.db2.gz YNYIPRXRXVZQEF-PWSUYJOCSA-N 1 0 281.352 1.699 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C2)SCC[C@@H]3C(N)=O)c(O)c1 ZINC001277567981 943019647 /nfs/dbraw/zinc/01/96/47/943019647.db2.gz JLQDHXKKBRBCMC-GFCCVEGCSA-N 1 0 292.404 1.493 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001231848116 943028854 /nfs/dbraw/zinc/02/88/54/943028854.db2.gz GQQICMHIIYUJHU-ZDUSSCGKSA-N 1 0 291.395 1.459 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H](O)CO)cc1Cl ZINC001231866714 943035111 /nfs/dbraw/zinc/03/51/11/943035111.db2.gz BVVWNDAPPYRIED-SNVBAGLBSA-N 1 0 259.733 1.139 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(O)CC2)c(O)c1 ZINC001232834735 943412140 /nfs/dbraw/zinc/41/21/40/943412140.db2.gz LAGQJEUVKUYBJR-UHFFFAOYSA-N 1 0 250.342 1.415 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001232835132 943413140 /nfs/dbraw/zinc/41/31/40/943413140.db2.gz WYDIBZPCFJTGMH-YPMHNXCESA-N 1 0 268.332 1.363 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC001232839890 943415482 /nfs/dbraw/zinc/41/54/82/943415482.db2.gz YOXSNDAHOBCSNN-NSHDSACASA-N 1 0 250.342 1.272 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840238 943415873 /nfs/dbraw/zinc/41/58/73/943415873.db2.gz QJWBXLAGGFPCHP-ZDUSSCGKSA-N 1 0 292.379 1.843 20 10 CDCDRO Oc1cc(CN2CC[NH+]3CCC2CC3)cc(O)c1O ZINC001233017562 943466271 /nfs/dbraw/zinc/46/62/71/943466271.db2.gz XITXUMJXPKSKBZ-UHFFFAOYSA-N 1 0 264.325 1.083 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418185 943581651 /nfs/dbraw/zinc/58/16/51/943581651.db2.gz WSHVWJURGSWVNB-UHFFFAOYSA-N 1 0 290.285 1.979 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1O ZINC001233452434 943588506 /nfs/dbraw/zinc/58/85/06/943588506.db2.gz WIBDZKQDRDIINP-SKDRFNHKSA-N 1 0 291.269 1.196 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)cc1O ZINC001233483076 943593098 /nfs/dbraw/zinc/59/30/98/943593098.db2.gz NANUSGBTALACTD-OAHLLOKOSA-N 1 0 279.336 1.948 20 10 CDCDRO Oc1cc(O)c(CN2CCCC3(C2)OCCO3)cc1O ZINC001233486654 943596406 /nfs/dbraw/zinc/59/64/06/943596406.db2.gz WTSNSKFCDPFQPT-UHFFFAOYSA-N 1 0 281.308 1.142 20 10 CDCDRO COC(=O)Cc1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235998306 944366371 /nfs/dbraw/zinc/36/63/71/944366371.db2.gz YCHZSCNTASTYKX-XJKSGUPXSA-N 1 0 290.363 1.031 20 10 CDCDRO Cc1cc(CN(C2CC2)C2C[NH2+]C2)ccc1N(C)C ZINC001236064434 944398650 /nfs/dbraw/zinc/39/86/50/944398650.db2.gz QTGPVAHVZBHNJS-UHFFFAOYSA-N 1 0 259.397 1.997 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(Cl)c1 ZINC001236283685 944443836 /nfs/dbraw/zinc/44/38/36/944443836.db2.gz GSQSYPKYDYQCKF-BXUZGUMPSA-N 1 0 265.788 1.810 20 10 CDCDRO COC(=O)c1c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c2ccccc2n1C ZINC001236290448 944449239 /nfs/dbraw/zinc/44/92/39/944449239.db2.gz MBAHCJKJZKZDDX-NHYWBVRUSA-N 1 0 299.374 1.369 20 10 CDCDRO COc1cc(C)c(C[N@H+]2C[C@@H](OC)[C@@H](F)C2)c(O)c1 ZINC001236808077 944576655 /nfs/dbraw/zinc/57/66/55/944576655.db2.gz LRUWWHNVFDSASV-GXTWGEPZSA-N 1 0 269.316 1.878 20 10 CDCDRO Oc1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(O)c1O ZINC001237411387 944761806 /nfs/dbraw/zinc/76/18/06/944761806.db2.gz FSXSRGVCCQGVKM-VXGBXAGGSA-N 1 0 278.352 1.377 20 10 CDCDRO Cc1cccc(O)c1C[N@H+](C)CCC1OCCO1 ZINC001237488042 944813750 /nfs/dbraw/zinc/81/37/50/944813750.db2.gz PWQBOGBQOKBGEB-UHFFFAOYSA-N 1 0 251.326 1.895 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)CCCO1 ZINC001237494346 944817196 /nfs/dbraw/zinc/81/71/96/944817196.db2.gz HMKRENSJNPCADC-CQSZACIVSA-N 1 0 279.336 1.465 20 10 CDCDRO CC[NH+]1CCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237675069 944920408 /nfs/dbraw/zinc/92/04/08/944920408.db2.gz RUSZRBSMNXNOIH-UHFFFAOYSA-N 1 0 280.368 1.547 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001237681029 944923985 /nfs/dbraw/zinc/92/39/85/944923985.db2.gz KJLXFBWHYTULFT-ZFWWWQNUSA-N 1 0 299.798 1.919 20 10 CDCDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCc4cccc(O)c43)C2)cn1 ZINC001261276324 946030186 /nfs/dbraw/zinc/03/01/86/946030186.db2.gz DSGAJOAWCHRJFS-ZFWWWQNUSA-N 1 0 298.390 1.982 20 10 CDCDRO c1cc(N2CCCC2)ccc1CNC[C@@H]1C[NH2+]CCCO1 ZINC001261370409 946078216 /nfs/dbraw/zinc/07/82/16/946078216.db2.gz IONXHDGJSFMCNX-KRWDZBQOSA-N 1 0 289.423 1.755 20 10 CDCDRO O=c1cc(-c2cnn(C3C[NH2+]C3)c2)ccn1CC(F)(F)F ZINC001241614695 946391649 /nfs/dbraw/zinc/39/16/49/946391649.db2.gz RDMTWFARUGVPTK-UHFFFAOYSA-N 1 0 298.268 1.418 20 10 CDCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001262603848 946759545 /nfs/dbraw/zinc/75/95/45/946759545.db2.gz XCUCKBQIJGLVFR-OCCSQVGLSA-N 1 0 276.384 1.538 20 10 CDCDRO O=C(C[NH2+]C1CCOCC1)c1ccc(O)c(O)c1 ZINC001255033353 947701231 /nfs/dbraw/zinc/70/12/31/947701231.db2.gz AQXMRGCLAUMPMN-UHFFFAOYSA-N 1 0 251.282 1.049 20 10 CDCDRO O=C(C[NH2+]C1CCSCC1)c1ccc(O)c(O)c1 ZINC001255082624 947721993 /nfs/dbraw/zinc/72/19/93/947721993.db2.gz IHOVSKMOIUGIEZ-UHFFFAOYSA-N 1 0 267.350 1.766 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)CN1 ZINC001246869354 948493399 /nfs/dbraw/zinc/49/33/99/948493399.db2.gz RIEXWOBDVJQQHJ-JSGCOSHPSA-N 1 0 290.363 1.044 20 10 CDCDRO O=C(C[NH2+]C1CCC2(COC2)CC1)c1ccc(O)c(O)c1 ZINC001257900385 948658750 /nfs/dbraw/zinc/65/87/50/948658750.db2.gz YGBCSHLVDAPMPH-UHFFFAOYSA-N 1 0 291.347 1.829 20 10 CDCDRO COC(=O)[C@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001252442498 951276679 /nfs/dbraw/zinc/27/66/79/951276679.db2.gz TVZXVMMYINMJAQ-CQSZACIVSA-N 1 0 275.304 1.169 20 10 CDCDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC001254010644 952170653 /nfs/dbraw/zinc/17/06/53/952170653.db2.gz HSELLEUXNDKFSB-UHFFFAOYSA-N 1 0 295.335 1.894 20 10 CDCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001308764046 956575618 /nfs/dbraw/zinc/57/56/18/956575618.db2.gz DPEVUNOIFTZASS-NSHDSACASA-N 1 0 289.784 1.712 20 10 CDCDRO CCN(CC[NH3+])Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001331846866 957297732 /nfs/dbraw/zinc/29/77/32/957297732.db2.gz IXWWRCIYTLAYMB-UHFFFAOYSA-N 1 0 294.418 1.358 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1CO ZINC001336759324 960553375 /nfs/dbraw/zinc/55/33/75/960553375.db2.gz WFQUTSORDXMKAT-IYBDPMFKSA-N 1 0 290.407 1.319 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001338733069 961969287 /nfs/dbraw/zinc/96/92/87/961969287.db2.gz XPTSFFNOVAMQGY-CYBMUJFWSA-N 1 0 274.368 1.305 20 10 CDCDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccccc1O ZINC001341705198 963517194 /nfs/dbraw/zinc/51/71/94/963517194.db2.gz ZVGQHTGBPACGHY-NSHDSACASA-N 1 0 268.382 1.479 20 10 CDCDRO C[C@@H]1[NH2+]CCn2c(C(=O)NCc3ccccc3O)ccc21 ZINC001343539894 964032842 /nfs/dbraw/zinc/03/28/42/964032842.db2.gz ALACEOAVWDICMT-NSHDSACASA-N 1 0 285.347 1.788 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001344820652 964445693 /nfs/dbraw/zinc/44/56/93/964445693.db2.gz BHDSMHSUNNPGQF-JOYOIKCWSA-N 1 0 266.316 1.536 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[NH3+])c1 ZINC001345481638 964721777 /nfs/dbraw/zinc/72/17/77/964721777.db2.gz FNIBYDMLYLZFCG-JTQLQIEISA-N 1 0 266.341 1.568 20 10 CDCDRO C[NH+]1CCC(CCNC(=O)NCc2ccc(N)cc2)CC1 ZINC001346289684 965030298 /nfs/dbraw/zinc/03/02/98/965030298.db2.gz XVXFSNUVVBTPPB-UHFFFAOYSA-N 1 0 290.411 1.800 20 10 CDCDRO CN1CCC([N@H+](CCO)Cc2ccc(N)cc2)CC1 ZINC001352787718 967478687 /nfs/dbraw/zinc/47/86/87/967478687.db2.gz IJOVIVUJOBJLNA-UHFFFAOYSA-N 1 0 263.385 1.157 20 10 CDCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N)cc1 ZINC001352788124 967481702 /nfs/dbraw/zinc/48/17/02/967481702.db2.gz CSVRJRPPMGCMGH-CYBMUJFWSA-N 1 0 263.385 1.421 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1C ZINC000848565250 969175889 /nfs/dbraw/zinc/17/58/89/969175889.db2.gz GRBKZWYRCHZXGT-CYBMUJFWSA-N 1 0 286.379 1.785 20 10 CDCDRO CCc1cccc(C[NH2+][C@]2(CCO)CCOC2)c1O ZINC000848907526 969345269 /nfs/dbraw/zinc/34/52/69/969345269.db2.gz OZYVBFHHNKDCBK-OAHLLOKOSA-N 1 0 265.353 1.586 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c1O ZINC000848907889 969348010 /nfs/dbraw/zinc/34/80/10/969348010.db2.gz KGSGNHUQWFKLPY-UONOGXRCSA-N 1 0 292.423 1.842 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000848912597 969350813 /nfs/dbraw/zinc/35/08/13/969350813.db2.gz STYKZQKDIFXECT-LBPRGKRZSA-N 1 0 297.420 1.869 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(N)cc2)C1 ZINC001356583404 969436297 /nfs/dbraw/zinc/43/62/97/969436297.db2.gz FDQQXUPMTCIXCR-AWEZNQCLSA-N 1 0 290.411 1.800 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@@H]1OC ZINC000169222339 342517538 /nfs/dbraw/zinc/51/75/38/342517538.db2.gz BLSVNOCUBCEFNF-YUTCNCBUSA-N 1 0 251.326 1.674 20 10 CDCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000294991212 199288602 /nfs/dbraw/zinc/28/86/02/199288602.db2.gz HPBAHHNGDNOWJS-AWEZNQCLSA-N 1 0 294.395 1.993 20 10 CDCDRO C[NH+]1CCC(C)(CNC(=O)c2cccc(O)c2O)CC1 ZINC000226355914 362454136 /nfs/dbraw/zinc/45/41/36/362454136.db2.gz QYJKEHDRQXXEGI-UHFFFAOYSA-N 1 0 278.352 1.560 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(C)=O)CC2)c1 ZINC000179815848 357225855 /nfs/dbraw/zinc/22/58/55/357225855.db2.gz NBKOBQISMCGXEZ-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)ccc21 ZINC000188747432 357933405 /nfs/dbraw/zinc/93/34/05/357933405.db2.gz AROPAJJCDGMFGV-UONOGXRCSA-N 1 0 291.370 1.385 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000364514585 358438055 /nfs/dbraw/zinc/43/80/55/358438055.db2.gz YDXKWVHEUBJEMT-CYBMUJFWSA-N 1 0 258.325 1.739 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000230663359 360336041 /nfs/dbraw/zinc/33/60/41/360336041.db2.gz WGAKKSAYBYWBKG-MWLCHTKSSA-N 1 0 257.305 1.579 20 10 CDCDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872106 299314803 /nfs/dbraw/zinc/31/48/03/299314803.db2.gz VKPDAWULDYRDIF-YOEHRIQHSA-N 1 0 291.439 1.860 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCOCC1 ZINC000374324495 370689172 /nfs/dbraw/zinc/68/91/72/370689172.db2.gz MOGVEPFSBJLTQH-UHFFFAOYSA-N 1 0 276.380 1.746 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H](O)C(C)C)c1O ZINC000134698189 361637293 /nfs/dbraw/zinc/63/72/93/361637293.db2.gz LPFVKXIGVONVGP-LBPRGKRZSA-N 1 0 253.342 1.897 20 10 CDCDRO CC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000268740096 364087324 /nfs/dbraw/zinc/08/73/24/364087324.db2.gz PKZPEIKIZOFQHG-ZDUSSCGKSA-N 1 0 281.375 1.848 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000271187931 364965959 /nfs/dbraw/zinc/96/59/59/364965959.db2.gz KMXLFRHWQURZMV-NSHDSACASA-N 1 0 264.325 1.063 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)Cn1cccn1 ZINC000171926517 365432110 /nfs/dbraw/zinc/43/21/10/365432110.db2.gz WVAIEUUOOVJRIC-CYBMUJFWSA-N 1 0 261.325 1.082 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C[C@H](C)O)CC2)cc1 ZINC000305080601 370852318 /nfs/dbraw/zinc/85/23/18/370852318.db2.gz QJNQIKUIGUMBIL-LBPRGKRZSA-N 1 0 264.369 1.634 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000281702444 367675952 /nfs/dbraw/zinc/67/59/52/367675952.db2.gz STTUCNDNAGZJOV-VXGBXAGGSA-N 1 0 253.342 1.749 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000294890454 371102124 /nfs/dbraw/zinc/10/21/24/371102124.db2.gz QVBTXAOZQHGFLG-MRVPVSSYSA-N 1 0 268.288 1.061 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296618225 371444415 /nfs/dbraw/zinc/44/44/15/371444415.db2.gz YZVASYJXAWVAGV-NEPJUHHUSA-N 1 0 251.326 1.367 20 10 CDCDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(F)ccc1O ZINC000226585475 371952199 /nfs/dbraw/zinc/95/21/99/371952199.db2.gz DFRUDMOBURLUTH-JTQLQIEISA-N 1 0 266.316 1.632 20 10 CDCDRO COc1ccc(N2CCC[N@@H+](CC(OC)OC)CC2)cc1 ZINC000136744596 375779185 /nfs/dbraw/zinc/77/91/85/375779185.db2.gz KKAXOLOTIPAWJU-UHFFFAOYSA-N 1 0 294.395 1.826 20 10 CDCDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037262752 390210734 /nfs/dbraw/zinc/21/07/34/390210734.db2.gz CGMZOFDAWYADDB-LBPRGKRZSA-N 1 0 263.385 1.928 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179570744 391211687 /nfs/dbraw/zinc/21/16/87/391211687.db2.gz LTMQTICRYRTMTF-ZDUSSCGKSA-N 1 0 258.325 1.821 20 10 CDCDRO COCC1(O)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000270196381 391266672 /nfs/dbraw/zinc/26/66/72/391266672.db2.gz BNDSOZQJOVSNAI-UHFFFAOYSA-N 1 0 295.335 1.094 20 10 CDCDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1O ZINC000183625269 391267655 /nfs/dbraw/zinc/26/76/55/391267655.db2.gz WSIMFQYOJLKGPI-GFCCVEGCSA-N 1 0 265.353 1.832 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000164756465 391289573 /nfs/dbraw/zinc/28/95/73/391289573.db2.gz QVKRTKZHAAWKGX-DIFFPNOSSA-N 1 0 255.383 1.947 20 10 CDCDRO CN(C(=O)c1cccc2c1CC[NH2+]C2)c1cnn(C)c1 ZINC000662745717 413420246 /nfs/dbraw/zinc/42/02/46/413420246.db2.gz NKJDFOUFFXWKPL-UHFFFAOYSA-N 1 0 270.336 1.342 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCCS(C)(=O)=O)c1 ZINC000071408215 176156762 /nfs/dbraw/zinc/15/67/62/176156762.db2.gz KWFIWMHDWJDAJK-UHFFFAOYSA-N 1 0 257.355 1.225 20 10 CDCDRO COCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000159948807 261199293 /nfs/dbraw/zinc/19/92/93/261199293.db2.gz KBYHCAGLZFNREN-UHFFFAOYSA-N 1 0 255.314 1.488 20 10 CDCDRO CC[C@H]([NH2+]CCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000164797093 261359567 /nfs/dbraw/zinc/35/95/67/261359567.db2.gz SRYVUCGKJVKYFF-AWEZNQCLSA-N 1 0 284.425 1.838 20 10 CDCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1O ZINC000183413822 261974516 /nfs/dbraw/zinc/97/45/16/261974516.db2.gz XFQYMXUYIQRJNJ-LLVKDONJSA-N 1 0 278.352 1.325 20 10 CDCDRO C[C@H]([NH2+]CC1(CO)COC1)c1cc(F)ccc1O ZINC000186146577 262082095 /nfs/dbraw/zinc/08/20/95/262082095.db2.gz DIGUVKNTCRUCTH-VIFPVBQESA-N 1 0 255.289 1.191 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CCO)CCCOC)c1 ZINC000188927707 262164693 /nfs/dbraw/zinc/16/46/93/262164693.db2.gz QCRDDQXFKMVJRI-UHFFFAOYSA-N 1 0 283.368 1.622 20 10 CDCDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)C[NH+]1CCCC1 ZINC000059930903 262391101 /nfs/dbraw/zinc/39/11/01/262391101.db2.gz ZBZUCCCFZDNQKZ-CYBMUJFWSA-N 1 0 275.396 1.659 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)c(O)c1O ZINC000272550377 263006643 /nfs/dbraw/zinc/00/66/43/263006643.db2.gz AUPFIJMSFJWYMZ-JTQLQIEISA-N 1 0 266.341 1.476 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C[NH3+])OC ZINC000290053503 263114295 /nfs/dbraw/zinc/11/42/95/263114295.db2.gz UEHGLHIJPNZTON-CYBMUJFWSA-N 1 0 266.341 1.105 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000187839669 263270585 /nfs/dbraw/zinc/27/05/85/263270585.db2.gz USEVQYNFGDPVQX-GTNSWQLSSA-N 1 0 255.383 1.899 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2)c(O)c1C ZINC000530225180 333529004 /nfs/dbraw/zinc/52/90/04/333529004.db2.gz MKKAQYPDPXGSGF-QWHCGFSZSA-N 1 0 264.369 1.648 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1O ZINC000252762919 334391088 /nfs/dbraw/zinc/39/10/88/334391088.db2.gz ZIMBLQLNGZYLDE-GJZGRUSLSA-N 1 0 276.380 1.653 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000230666935 1161045785 /nfs/dbraw/zinc/04/57/85/1161045785.db2.gz JDFPZTNZJRPTAK-SECBINFHSA-N 1 0 290.360 1.121 20 10 CDCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276561356 520843931 /nfs/dbraw/zinc/84/39/31/520843931.db2.gz IZUZNLICJMRNND-SNVBAGLBSA-N 1 0 296.342 1.793 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H](C[NH3+])OC ZINC000278170883 521688059 /nfs/dbraw/zinc/68/80/59/521688059.db2.gz CKSUFZDVZWKRKY-ZDUSSCGKSA-N 1 0 280.368 1.495 20 10 CDCDRO COC[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCO1 ZINC000278555234 522365177 /nfs/dbraw/zinc/36/51/77/522365177.db2.gz BVRWNMUNRTZABO-OCCSQVGLSA-N 1 0 251.326 1.676 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000294025461 523378861 /nfs/dbraw/zinc/37/88/61/523378861.db2.gz GZGCVAHXEVVVED-WCQYABFASA-N 1 0 262.353 1.868 20 10 CDCDRO C[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299492093 523773770 /nfs/dbraw/zinc/77/37/70/523773770.db2.gz JRKPBPVKWSNQIP-UHFFFAOYSA-N 1 0 263.341 1.286 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000290065788 524009876 /nfs/dbraw/zinc/00/98/76/524009876.db2.gz FOGLLQZQSMLDKL-KBPBESRZSA-N 1 0 250.342 1.256 20 10 CDCDRO COCCOCC[NH2+]Cc1cccc(OC)c1O ZINC000044693547 524010019 /nfs/dbraw/zinc/01/00/19/524010019.db2.gz HQWSRKJFIBYFJD-UHFFFAOYSA-N 1 0 255.314 1.153 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)/C=C/C[NH+](C)C)cc1 ZINC000264606820 524034178 /nfs/dbraw/zinc/03/41/78/524034178.db2.gz GRQFGESXJJUBPG-VOTSOKGWSA-N 1 0 275.396 1.829 20 10 CDCDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000292969181 524342934 /nfs/dbraw/zinc/34/29/34/524342934.db2.gz KCIOQQXZFUUKGF-MEBBXXQBSA-N 1 0 279.336 1.762 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccccc1O ZINC000280923886 525378029 /nfs/dbraw/zinc/37/80/29/525378029.db2.gz RHGLFDDILWXPAQ-XQQFMLRXSA-N 1 0 265.353 1.688 20 10 CDCDRO C[C@@H](O)C[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000276347563 525797490 /nfs/dbraw/zinc/79/74/90/525797490.db2.gz ZOJAHXVUFZOPRZ-LLVKDONJSA-N 1 0 284.787 1.544 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1O ZINC000290097437 526022145 /nfs/dbraw/zinc/02/21/45/526022145.db2.gz JZKKJGHAPHOUBB-LLVKDONJSA-N 1 0 299.392 1.315 20 10 CDCDRO OCC[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000278500580 527567810 /nfs/dbraw/zinc/56/78/10/527567810.db2.gz NUDPOOMFZAIGHX-OAHLLOKOSA-N 1 0 263.337 1.253 20 10 CDCDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)C[NH+]1CCCC1 ZINC000731870760 575067313 /nfs/dbraw/zinc/06/73/13/575067313.db2.gz OQSFBOKMASLXMV-JTQLQIEISA-N 1 0 268.382 1.915 20 10 CDCDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1=CC(=O)CS1 ZINC000732271530 575085232 /nfs/dbraw/zinc/08/52/32/575085232.db2.gz IXSGDPXPMNOQAF-VIFPVBQESA-N 1 0 266.366 1.668 20 10 CDCDRO C[NH+](C)CCn1ccc(NC(=O)C2=CC(=O)CS2)n1 ZINC000732280660 575086520 /nfs/dbraw/zinc/08/65/20/575086520.db2.gz NYCQIEJMTGEFTK-UHFFFAOYSA-N 1 0 280.353 1.464 20 10 CDCDRO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000734160498 575160895 /nfs/dbraw/zinc/16/08/95/575160895.db2.gz CQZSXSNDUIQCIT-OAHLLOKOSA-N 1 0 294.370 1.523 20 10 CDCDRO COCC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC(C)C ZINC000768441832 576283614 /nfs/dbraw/zinc/28/36/14/576283614.db2.gz OGEBJBRGYOJRPV-OAHLLOKOSA-N 1 0 295.379 1.922 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000768841710 576312374 /nfs/dbraw/zinc/31/23/74/576312374.db2.gz NGTFPJNTGMCOAA-GFCCVEGCSA-N 1 0 291.347 1.935 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCCCNC2=O)c(O)c1 ZINC000769202549 576337244 /nfs/dbraw/zinc/33/72/44/576337244.db2.gz WJSHDBUPMCGHTJ-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769402907 576352218 /nfs/dbraw/zinc/35/22/18/576352218.db2.gz DSLZVHUNECJJEC-LLVKDONJSA-N 1 0 278.352 1.359 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCN(C(C)(C)CO)CC2)cc1C ZINC000769445989 576354314 /nfs/dbraw/zinc/35/43/14/576354314.db2.gz KFJQCCSJONJFGI-UHFFFAOYSA-N 1 0 292.423 1.898 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000742370719 576598741 /nfs/dbraw/zinc/59/87/41/576598741.db2.gz KNYBFVYHXRQUCD-AWEZNQCLSA-N 1 0 253.342 1.496 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000742376783 576599010 /nfs/dbraw/zinc/59/90/10/576599010.db2.gz HFUWXPXCDSJNHS-LLVKDONJSA-N 1 0 269.341 1.542 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CC2(CO)COC2)c2c1c(F)ccc2O ZINC000756759866 577003175 /nfs/dbraw/zinc/00/31/75/577003175.db2.gz NCGIJUCAVGRDFD-GXSJLCMTSA-N 1 0 281.327 1.678 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000759173063 577156903 /nfs/dbraw/zinc/15/69/03/577156903.db2.gz MJKSDYNRISMDPS-GXTWGEPZSA-N 1 0 281.352 1.684 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC000753586835 577178478 /nfs/dbraw/zinc/17/84/78/577178478.db2.gz JYAPHBWVLRDXRC-UHFFFAOYSA-N 1 0 292.335 1.475 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1ccc(N(C)C)c(C)c1 ZINC000932480160 617312716 /nfs/dbraw/zinc/31/27/16/617312716.db2.gz SOGVVLMXZVXXBU-UHFFFAOYSA-N 1 0 263.385 1.758 20 10 CDCDRO CN(C)c1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1F ZINC000925530154 617460199 /nfs/dbraw/zinc/46/01/99/617460199.db2.gz OKEVKSHHHBKYCU-CMSWKTDVSA-N 1 0 289.398 1.978 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1O ZINC000892097856 617480013 /nfs/dbraw/zinc/48/00/13/617480013.db2.gz SRTNHQPRVBWKAO-GRYCIOLGSA-N 1 0 277.368 1.893 20 10 CDCDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000891978621 617927486 /nfs/dbraw/zinc/92/74/86/617927486.db2.gz FLNUWJPYIFJSEE-LLVKDONJSA-N 1 0 275.352 1.417 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c(O)c1OC ZINC000893505454 618004705 /nfs/dbraw/zinc/00/47/05/618004705.db2.gz MRNAWQMNHPVPGN-VHSXEESVSA-N 1 0 269.341 1.658 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)c(O)c1OC ZINC000893885370 618140297 /nfs/dbraw/zinc/14/02/97/618140297.db2.gz YJGJGFOVZXIUGZ-HNNXBMFYSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000894268074 618369650 /nfs/dbraw/zinc/36/96/50/618369650.db2.gz AMHUHPQKDAOWKN-CQSZACIVSA-N 1 0 295.379 1.994 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC(=O)N(C)C2)c1O ZINC000894285578 618474308 /nfs/dbraw/zinc/47/43/08/618474308.db2.gz VFXIHCBTYUDLEX-LBPRGKRZSA-N 1 0 278.352 1.420 20 10 CDCDRO COC1(CO)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877481692 618622432 /nfs/dbraw/zinc/62/24/32/618622432.db2.gz PTSYCDIFMFTMKM-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccncc2)cc1 ZINC000841043690 618677692 /nfs/dbraw/zinc/67/76/92/618677692.db2.gz QCJJRUKVRMUEFQ-MRXNPFEDSA-N 1 0 270.380 1.937 20 10 CDCDRO Cc1n[nH]c(C)c1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043436 618677860 /nfs/dbraw/zinc/67/78/60/618677860.db2.gz OINDHGAYQNXSMX-INIZCTEOSA-N 1 0 287.411 1.882 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000894432250 618881391 /nfs/dbraw/zinc/88/13/91/618881391.db2.gz XQXBCDDYAPJIKY-NEPJUHHUSA-N 1 0 265.353 1.912 20 10 CDCDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)OC ZINC000894552293 618960813 /nfs/dbraw/zinc/96/08/13/618960813.db2.gz HKVVQMIBWZMEPO-LLVKDONJSA-N 1 0 269.341 1.924 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COCO2)cc1Cl ZINC000894886979 619122634 /nfs/dbraw/zinc/12/26/34/619122634.db2.gz YIGGIOONSCRPHT-JTQLQIEISA-N 1 0 257.717 1.817 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)C)c(O)c1OC ZINC000894935528 619154425 /nfs/dbraw/zinc/15/44/25/619154425.db2.gz ZWCPFYJRGYGFGU-JTQLQIEISA-N 1 0 296.367 1.412 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1 ZINC000895118074 619309294 /nfs/dbraw/zinc/30/92/94/619309294.db2.gz ZDFHWBWIELYTMI-IJLUTSLNSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCOCCF)c1O ZINC000895359093 619602324 /nfs/dbraw/zinc/60/23/24/619602324.db2.gz NWWAAUOIVPQJRM-UHFFFAOYSA-N 1 0 257.305 1.785 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@]2(CO)CCOC2)c1O ZINC000895386299 619627018 /nfs/dbraw/zinc/62/70/18/619627018.db2.gz XADAQHHZUQFZID-OAHLLOKOSA-N 1 0 281.352 1.292 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c(O)c1 ZINC000896377301 620078950 /nfs/dbraw/zinc/07/89/50/620078950.db2.gz HNISUMBLLCNFQU-ZDUSSCGKSA-N 1 0 263.337 1.895 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841754041 620960802 /nfs/dbraw/zinc/96/08/02/620960802.db2.gz YRGXKLMDVNBFBB-PSASIEDQSA-N 1 0 259.733 1.704 20 10 CDCDRO Cn1nccc1[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000897562908 620997633 /nfs/dbraw/zinc/99/76/33/620997633.db2.gz HWMQYAPMJUMZRZ-OAHLLOKOSA-N 1 0 291.326 1.838 20 10 CDCDRO C[C@@H](CN1C(=O)CN(Cc2ccccc2O)C1=O)[NH+](C)C ZINC000925320600 621494386 /nfs/dbraw/zinc/49/43/86/621494386.db2.gz MKKNLTHNWYALKI-NSHDSACASA-N 1 0 291.351 1.107 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[NH3+])cc1F ZINC000841798379 626008625 /nfs/dbraw/zinc/00/86/25/626008625.db2.gz HBMOXSSDVIRWIV-LLVKDONJSA-N 1 0 296.390 1.818 20 10 CDCDRO CC1=NO[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911668202 629387194 /nfs/dbraw/zinc/38/71/94/629387194.db2.gz WDLYIYFAIOIHOF-KGLIPLIRSA-N 1 0 290.367 1.033 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCN(C)CC(F)F)c1 ZINC000858336215 1158448115 /nfs/dbraw/zinc/44/81/15/1158448115.db2.gz AAIZNTDUKNKBJX-UHFFFAOYSA-N 1 0 258.312 1.987 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000081018011 1158611501 /nfs/dbraw/zinc/61/15/01/1158611501.db2.gz LDHQIZCBBCJIKP-HNNXBMFYSA-N 1 0 275.396 1.901 20 10 CDCDRO Nc1ccc(OCc2cn(CC[NH+]3CCCC3)nn2)cc1 ZINC000864653752 1164569455 /nfs/dbraw/zinc/56/94/55/1164569455.db2.gz XLSUJJJZZDGGIN-UHFFFAOYSA-N 1 0 287.367 1.535 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000876720611 1165901618 /nfs/dbraw/zinc/90/16/18/1165901618.db2.gz HWDBFIGOKDMCBQ-CYBMUJFWSA-N 1 0 265.353 1.674 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2nccn2C)CC1 ZINC000877642132 1166073448 /nfs/dbraw/zinc/07/34/48/1166073448.db2.gz PMIPRVCSQVNURF-UHFFFAOYSA-N 1 0 286.379 1.756 20 10 CDCDRO COC(=O)c1cccc2c1CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC001578877783 1172034655 /nfs/dbraw/zinc/03/46/55/1172034655.db2.gz KSPDSMMKGIKIQH-NSHDSACASA-N 1 0 286.331 1.410 20 10 CDCDRO O[C@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC000229642107 1178131603 /nfs/dbraw/zinc/13/16/03/1178131603.db2.gz DMCFITORVLALRR-INIZCTEOSA-N 1 0 276.380 1.528 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000234845627 1178226387 /nfs/dbraw/zinc/22/63/87/1178226387.db2.gz WRWNBUZOGIMEPI-WOPDTQHZSA-N 1 0 265.353 1.846 20 10 CDCDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC000162104433 1179412107 /nfs/dbraw/zinc/41/21/07/1179412107.db2.gz GXVFSTHABGAAGG-GFCCVEGCSA-N 1 0 264.325 1.241 20 10 CDCDRO CC(C)CNC(=O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311780999 1186690891 /nfs/dbraw/zinc/69/08/91/1186690891.db2.gz YLQOZRRGEAUFIM-LBPRGKRZSA-N 1 0 262.353 1.741 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000872126170 1165381591 /nfs/dbraw/zinc/38/15/91/1165381591.db2.gz JAEVMPDZCKQXCQ-GMTAPVOTSA-N 1 0 251.326 1.822 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000873252463 1165531354 /nfs/dbraw/zinc/53/13/54/1165531354.db2.gz SESVYALTGJQADY-FOGDFJRCSA-N 1 0 278.352 1.567 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(C)cc1O ZINC000876985851 1165955170 /nfs/dbraw/zinc/95/51/70/1165955170.db2.gz RQNMVJQGISUIEA-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)c(O)c1 ZINC000877123982 1165978481 /nfs/dbraw/zinc/97/84/81/1165978481.db2.gz QNBWKPALMJZEME-CYBMUJFWSA-N 1 0 261.325 1.257 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)c(O)c1 ZINC000877123983 1165979070 /nfs/dbraw/zinc/97/90/70/1165979070.db2.gz QNBWKPALMJZEME-ZDUSSCGKSA-N 1 0 261.325 1.257 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000877157756 1165985960 /nfs/dbraw/zinc/98/59/60/1165985960.db2.gz BFHWUVCLHACPDQ-GFCCVEGCSA-N 1 0 260.337 1.554 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(O)c1 ZINC000877424959 1166034898 /nfs/dbraw/zinc/03/48/98/1166034898.db2.gz UVGSQTXVZDWINL-CYBMUJFWSA-N 1 0 258.325 1.739 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000877587747 1166063859 /nfs/dbraw/zinc/06/38/59/1166063859.db2.gz HMZBKSPOSKAZRM-LBPRGKRZSA-N 1 0 262.353 1.611 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000877783181 1166099518 /nfs/dbraw/zinc/09/95/18/1166099518.db2.gz IFPYPSIFJARYNH-UHFFFAOYSA-N 1 0 290.363 1.503 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000879647575 1166390907 /nfs/dbraw/zinc/39/09/07/1166390907.db2.gz FCRLGEQUFJBEJR-FRRDWIJNSA-N 1 0 292.379 1.679 20 10 CDCDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230153853 912284765 /nfs/dbraw/zinc/28/47/65/912284765.db2.gz XXXHQIKWNHYHDA-XPTSAGLGSA-N 1 0 265.309 1.778 20 10 CDCDRO CC[C@@H](C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801561 912381624 /nfs/dbraw/zinc/38/16/24/912381624.db2.gz IGWAGTICVISJLB-GFCCVEGCSA-N 1 0 275.396 1.813 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000231607742 912475915 /nfs/dbraw/zinc/47/59/15/912475915.db2.gz HWQFNUORJHOCKX-INIZCTEOSA-N 1 0 294.395 1.010 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090951396 913363313 /nfs/dbraw/zinc/36/33/13/913363313.db2.gz VDRWVQGYZDQDRN-IUODEOHRSA-N 1 0 266.385 1.801 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000724897081 897500258 /nfs/dbraw/zinc/50/02/58/897500258.db2.gz OMKKQLKZBBWSRG-MPKXVKKWSA-N 1 0 251.326 1.847 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CN(C)C)c1 ZINC000308615797 899177658 /nfs/dbraw/zinc/17/76/58/899177658.db2.gz YGHUCEFRPPYDPN-UHFFFAOYSA-N 1 0 252.358 1.831 20 10 CDCDRO COC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097890 900983011 /nfs/dbraw/zinc/98/30/11/900983011.db2.gz UMMYZSOJDDFNMC-ZDUSSCGKSA-N 1 0 265.357 1.711 20 10 CDCDRO C[NH+]1CC2(C1)CCCN(C(=O)Cc1ccc(O)c(O)c1)C2 ZINC001270575396 904751827 /nfs/dbraw/zinc/75/18/27/904751827.db2.gz LQYLYROPMYGPEF-UHFFFAOYSA-N 1 0 290.363 1.195 20 10 CDCDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(O)c(O)c1)CC2 ZINC001270575718 904752534 /nfs/dbraw/zinc/75/25/34/904752534.db2.gz MDKITJUJZSIVCE-UHFFFAOYSA-N 1 0 290.363 1.195 20 10 CDCDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921926303 921122779 /nfs/dbraw/zinc/12/27/79/921122779.db2.gz VDIUHXWSPQATQS-UHFFFAOYSA-N 1 0 291.391 1.890 20 10 CDCDRO NC(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000126767262 905181345 /nfs/dbraw/zinc/18/13/45/905181345.db2.gz QZSOGVTWZOTIJG-UHFFFAOYSA-N 1 0 283.759 1.632 20 10 CDCDRO Cc1n[nH]c(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921955983 921191454 /nfs/dbraw/zinc/19/14/54/921191454.db2.gz HWAHJCJXSCGFLP-UHFFFAOYSA-N 1 0 272.352 1.770 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](O)C(C)C)cc1C ZINC001126618967 906812640 /nfs/dbraw/zinc/81/26/40/906812640.db2.gz IXDFCSOOFNHEIB-OAHLLOKOSA-N 1 0 294.395 1.226 20 10 CDCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCOC1 ZINC000922086490 921268766 /nfs/dbraw/zinc/26/87/66/921268766.db2.gz MBRGLJSDGFVSTF-HOTGVXAUSA-N 1 0 291.391 1.746 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000036933215 909951408 /nfs/dbraw/zinc/95/14/08/909951408.db2.gz VFTFLDOKNZDTJO-NSHDSACASA-N 1 0 284.787 1.856 20 10 CDCDRO CCN1CC[C@@H]([NH2+]Cc2cccc(O)c2O)CC1=O ZINC001172037387 911163769 /nfs/dbraw/zinc/16/37/69/911163769.db2.gz XBILRJFSMVFAFQ-LLVKDONJSA-N 1 0 264.325 1.198 20 10 CDCDRO O=C1CC[C@H]2C[C@H]([NH2+]Cc3ccc(O)cc3O)CCN12 ZINC001172171471 911424290 /nfs/dbraw/zinc/42/42/90/911424290.db2.gz PECGBWQLCOXUQS-NEPJUHHUSA-N 1 0 276.336 1.341 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc1O ZINC001172228811 911469367 /nfs/dbraw/zinc/46/93/67/911469367.db2.gz DVGBRAIQBYFZQO-YEWTVFCHSA-N 1 0 277.320 1.207 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000226338623 911675343 /nfs/dbraw/zinc/67/53/43/911675343.db2.gz KIRIKKWBIQMVND-FZMZJTMJSA-N 1 0 264.369 1.960 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C)C2)c1O ZINC000228673487 911947736 /nfs/dbraw/zinc/94/77/36/911947736.db2.gz OYRNWIJFYOQJKE-NSHDSACASA-N 1 0 270.760 1.848 20 10 CDCDRO COCC[NH2+]CCNCc1ccc2c(c1)CCCO2 ZINC000228737720 911962015 /nfs/dbraw/zinc/96/20/15/911962015.db2.gz SDEPRTFLWOBPEW-UHFFFAOYSA-N 1 0 264.369 1.337 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000179905403 915421632 /nfs/dbraw/zinc/42/16/32/915421632.db2.gz RSJBUIFATFNESD-LBPRGKRZSA-N 1 0 292.379 1.878 20 10 CDCDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000180923208 915747071 /nfs/dbraw/zinc/74/70/71/915747071.db2.gz ULCVTZMBGLFZNX-UHFFFAOYSA-N 1 0 255.289 1.963 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(O)c1 ZINC001181277044 916957791 /nfs/dbraw/zinc/95/77/91/916957791.db2.gz VCCWBRSLVHHAMF-NEPJUHHUSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)c(OC)c1 ZINC001206448407 917041055 /nfs/dbraw/zinc/04/10/55/917041055.db2.gz ZQAJONNSJPOTFV-WDEREUQCSA-N 1 0 284.331 1.281 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2C)c1 ZINC000071273013 917423898 /nfs/dbraw/zinc/42/38/98/917423898.db2.gz XFXDQVUQQNWDSJ-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000829763885 936431166 /nfs/dbraw/zinc/43/11/66/936431166.db2.gz CCMDMWMNUCIXKM-HNNXBMFYSA-N 1 0 275.396 1.805 20 10 CDCDRO OC[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000184190365 917606501 /nfs/dbraw/zinc/60/65/01/917606501.db2.gz CSISEABFAFWJJP-GFCCVEGCSA-N 1 0 257.717 1.287 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)cc(O)c1O ZINC001204341847 917879375 /nfs/dbraw/zinc/87/93/75/917879375.db2.gz HCHRJGNWIIKMMP-ZYHUDNBSSA-N 1 0 281.352 1.699 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000831002656 936486747 /nfs/dbraw/zinc/48/67/47/936486747.db2.gz NAFABULTKVAYPT-OAHLLOKOSA-N 1 0 276.384 1.304 20 10 CDCDRO Cc1c(CN2CCO[C@@H](CO)C2)c2ccccc2n1C ZINC001138252371 936501918 /nfs/dbraw/zinc/50/19/18/936501918.db2.gz DTLHOWYKHXBGMC-CYBMUJFWSA-N 1 0 274.364 1.680 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=O)CCC[NH3+])C2)cc1 ZINC000831749139 936534536 /nfs/dbraw/zinc/53/45/36/936534536.db2.gz ZKFGMBUBBWNBFT-ZDUSSCGKSA-N 1 0 291.395 1.377 20 10 CDCDRO CN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498933 936542792 /nfs/dbraw/zinc/54/27/92/936542792.db2.gz NVTGTUUTMIMVCA-QGZVFWFLSA-N 1 0 289.423 1.659 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000083552731 918969544 /nfs/dbraw/zinc/96/95/44/918969544.db2.gz YVWWAUABLPBKCO-QMMMGPOBSA-N 1 0 277.773 1.568 20 10 CDCDRO Cc1ocnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278463 936571808 /nfs/dbraw/zinc/57/18/08/936571808.db2.gz CMDLYRFUEMUVGV-ZDUSSCGKSA-N 1 0 288.351 1.479 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)C)cc1 ZINC000832293093 936572223 /nfs/dbraw/zinc/57/22/23/936572223.db2.gz PEEVATZFRKKCPF-ZDUSSCGKSA-N 1 0 263.385 1.915 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccoc2)cc1 ZINC000832292709 936572510 /nfs/dbraw/zinc/57/25/10/936572510.db2.gz KIAVXMIPBLGOEU-AWEZNQCLSA-N 1 0 273.336 1.775 20 10 CDCDRO Oc1ccccc1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000843120903 919688086 /nfs/dbraw/zinc/68/80/86/919688086.db2.gz XQQVXWMIZXPJQP-HNNXBMFYSA-N 1 0 269.348 1.934 20 10 CDCDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832810456 936603906 /nfs/dbraw/zinc/60/39/06/936603906.db2.gz CZPSFTKOFYJVIM-CYBMUJFWSA-N 1 0 266.366 1.622 20 10 CDCDRO COc1cc(CN(C)C2(C)COC2)cc(C[NH+](C)C)c1O ZINC001139258809 936611894 /nfs/dbraw/zinc/61/18/94/936611894.db2.gz WZOMCTRDCJXSHS-UHFFFAOYSA-N 1 0 294.395 1.683 20 10 CDCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001272902203 920010757 /nfs/dbraw/zinc/01/07/57/920010757.db2.gz APXMPAGWALAISP-GFCCVEGCSA-N 1 0 290.363 1.446 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC001205352225 920017621 /nfs/dbraw/zinc/01/76/21/920017621.db2.gz FPMMNNHVMRKDPW-HZPDHXFCSA-N 1 0 275.396 1.181 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000391528111 936659012 /nfs/dbraw/zinc/65/90/12/936659012.db2.gz GCTFGCIRJAIHEW-ZDUSSCGKSA-N 1 0 260.337 1.332 20 10 CDCDRO O=C(C[NH2+][C@H]1CCc2cccc(O)c21)NCC1CC1 ZINC000393048836 936668826 /nfs/dbraw/zinc/66/88/26/936668826.db2.gz DWWDSZMNOALLHV-LBPRGKRZSA-N 1 0 260.337 1.495 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140055014 936674639 /nfs/dbraw/zinc/67/46/39/936674639.db2.gz DOKMGHBYVPJIEB-UHFFFAOYSA-N 1 0 253.273 1.526 20 10 CDCDRO C[NH+]1CC2(CN(Cc3c(O)cccc3Br)C2)C1 ZINC001140102817 936679084 /nfs/dbraw/zinc/67/90/84/936679084.db2.gz ZVGSSXHMXBXOEK-UHFFFAOYSA-N 1 0 297.196 1.902 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184962 936685391 /nfs/dbraw/zinc/68/53/91/936685391.db2.gz MLLQZKIOXCQYAB-ZDUSSCGKSA-N 1 0 291.395 1.902 20 10 CDCDRO Cc1cc(C(=O)N[C@@H](C)CC[NH3+])c(C)n1-c1ccccn1 ZINC000834452093 936688725 /nfs/dbraw/zinc/68/87/25/936688725.db2.gz FOSDIZPMGCSYKZ-NSHDSACASA-N 1 0 286.379 1.956 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000396729237 936702067 /nfs/dbraw/zinc/70/20/67/936702067.db2.gz COTRUJLGIVJINC-MNOVXSKESA-N 1 0 278.352 1.720 20 10 CDCDRO CN(C)C(=O)C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC001140341453 936703493 /nfs/dbraw/zinc/70/34/93/936703493.db2.gz OTRKDZPIRZAVLZ-UHFFFAOYSA-N 1 0 268.744 1.566 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834783261 936705545 /nfs/dbraw/zinc/70/55/45/936705545.db2.gz DABCKOVRADSIDL-UONOGXRCSA-N 1 0 295.379 1.383 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccccc1O ZINC000834851296 936709122 /nfs/dbraw/zinc/70/91/22/936709122.db2.gz WPRVBAMOLFVRGZ-KBPBESRZSA-N 1 0 278.396 1.890 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1 ZINC000835060118 936715675 /nfs/dbraw/zinc/71/56/75/936715675.db2.gz JCZGGHRIYIJZJG-CQSZACIVSA-N 1 0 264.325 1.159 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000775374485 921964183 /nfs/dbraw/zinc/96/41/83/921964183.db2.gz CDJHVMJTEOUXBU-YPMHNXCESA-N 1 0 295.379 1.839 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccn(C)c(=O)c2)c1 ZINC000775376086 921966560 /nfs/dbraw/zinc/96/65/60/921966560.db2.gz RWAIEABKCRJVDF-NSHDSACASA-N 1 0 288.347 1.950 20 10 CDCDRO CN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662179 936736565 /nfs/dbraw/zinc/73/65/65/936736565.db2.gz IOWMGWWGHDMXQB-UHFFFAOYSA-N 1 0 295.402 1.656 20 10 CDCDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140747969 936749316 /nfs/dbraw/zinc/74/93/16/936749316.db2.gz PSDDFYCLZNHCNS-UHFFFAOYSA-N 1 0 292.379 1.849 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@]1(O)CCSC1)OCO2 ZINC000702246716 922505510 /nfs/dbraw/zinc/50/55/10/922505510.db2.gz JLZXUQFIFNQZPL-ZDUSSCGKSA-N 1 0 283.349 1.079 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001140851165 936764282 /nfs/dbraw/zinc/76/42/82/936764282.db2.gz FBIXWEIFAPIHQJ-AWEZNQCLSA-N 1 0 291.395 1.688 20 10 CDCDRO COCCCN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140950942 936783412 /nfs/dbraw/zinc/78/34/12/936783412.db2.gz QBQVVLBELKOGNF-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO COc1cc(O)c(C[NH+]2CCC(CO)CC2)c(OC)c1 ZINC001141026692 936794185 /nfs/dbraw/zinc/79/41/85/936794185.db2.gz ZCVRMPJSQDCINV-UHFFFAOYSA-N 1 0 281.352 1.614 20 10 CDCDRO O=C(NC1CC[NH+](Cc2cc(O)ccc2O)CC1)C1CC1 ZINC001141159210 936821963 /nfs/dbraw/zinc/82/19/63/936821963.db2.gz CFAXOMUMSPATED-UHFFFAOYSA-N 1 0 290.363 1.588 20 10 CDCDRO Oc1ccc(O)c(CN2CCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001141162725 936824083 /nfs/dbraw/zinc/82/40/83/936824083.db2.gz BEMBKUQZMSZMST-HNNXBMFYSA-N 1 0 292.379 1.394 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c1 ZINC000840825774 936963530 /nfs/dbraw/zinc/96/35/30/936963530.db2.gz LHZIEALZYOKOSQ-NWDGAFQWSA-N 1 0 262.353 1.877 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNCc1cc2c(cc1O)OCO2 ZINC000841028147 936972223 /nfs/dbraw/zinc/97/22/23/936972223.db2.gz BQYJRHTYKGVMMO-JTQLQIEISA-N 1 0 252.314 1.194 20 10 CDCDRO COc1c(O)c(CNC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000841033175 936972510 /nfs/dbraw/zinc/97/25/10/936972510.db2.gz OGJRSQGWIOPNNB-LLVKDONJSA-N 1 0 295.339 1.541 20 10 CDCDRO CCOC[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045825 936972729 /nfs/dbraw/zinc/97/27/29/936972729.db2.gz QYEFEDNWTVKUMW-IUODEOHRSA-N 1 0 265.401 1.767 20 10 CDCDRO CCC[NH2+]CCNCc1ccc(N(C)C)c(F)c1 ZINC000841047251 936972796 /nfs/dbraw/zinc/97/27/96/936972796.db2.gz XZBKTPWWGUERPE-UHFFFAOYSA-N 1 0 253.365 1.981 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841086411 936975546 /nfs/dbraw/zinc/97/55/46/936975546.db2.gz NLIWYZXNQGXHNI-MRXNPFEDSA-N 1 0 277.412 1.529 20 10 CDCDRO COC(=O)C(C)(C)CC[NH2+]CCc1ccc(N)cc1 ZINC000841038639 925284630 /nfs/dbraw/zinc/28/46/30/925284630.db2.gz MUCKBVSGUJKADT-UHFFFAOYSA-N 1 0 264.369 1.990 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709905 925427371 /nfs/dbraw/zinc/42/73/71/925427371.db2.gz PAMVFEYWMXESBN-UHFFFAOYSA-N 1 0 290.411 1.696 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[NH2+]C2CC2)cc1F ZINC000841761988 937014031 /nfs/dbraw/zinc/01/40/31/937014031.db2.gz SRCNJANZBVPGPX-UHFFFAOYSA-N 1 0 294.374 1.443 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000841718860 937012548 /nfs/dbraw/zinc/01/25/48/937012548.db2.gz CZXLIIHPYZAMKB-CQSZACIVSA-N 1 0 290.411 1.694 20 10 CDCDRO CC[NH2+]CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841883009 937020758 /nfs/dbraw/zinc/02/07/58/937020758.db2.gz QRAYVJPUOFXEOM-GFCCVEGCSA-N 1 0 278.400 1.722 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC2CC[NH2+]CC2)c1 ZINC000841915831 937022897 /nfs/dbraw/zinc/02/28/97/937022897.db2.gz MNZVFWPIMMWUAV-JTQLQIEISA-N 1 0 293.367 1.513 20 10 CDCDRO C[NH2+]CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000841934755 937023644 /nfs/dbraw/zinc/02/36/44/937023644.db2.gz JPOVQEUMYNSJNJ-UHFFFAOYSA-N 1 0 292.427 1.892 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)CC(C)C)cc1OC ZINC000776048602 925953854 /nfs/dbraw/zinc/95/38/54/925953854.db2.gz PIMFOJPLEOTRML-GFCCVEGCSA-N 1 0 283.368 1.906 20 10 CDCDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(O)cc2O)C1=O ZINC001273842330 926092849 /nfs/dbraw/zinc/09/28/49/926092849.db2.gz BYBXZXNZPVBUDO-HNNXBMFYSA-N 1 0 292.335 1.000 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1O ZINC000842474594 937058212 /nfs/dbraw/zinc/05/82/12/937058212.db2.gz VRNQDCXRTLIQSH-ZJUUUORDSA-N 1 0 280.343 1.916 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCCO[C@@H](C[NH3+])C2)c1O ZINC000842479432 937059054 /nfs/dbraw/zinc/05/90/54/937059054.db2.gz SCCMKWTYZNCVOX-ZDUSSCGKSA-N 1 0 296.342 1.284 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CCCN(C)C2=O)cc1OC ZINC000776231567 926467493 /nfs/dbraw/zinc/46/74/93/926467493.db2.gz JSCFFWQBXLRBRY-NSHDSACASA-N 1 0 294.351 1.120 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000776253583 926485429 /nfs/dbraw/zinc/48/54/29/926485429.db2.gz YFTJGWGGUBGESR-STQMWFEESA-N 1 0 278.352 1.405 20 10 CDCDRO C[C@@H](NC(=O)NCC[NH+]1CCC1)c1ccc(N(C)C)cc1 ZINC000776249676 926490567 /nfs/dbraw/zinc/49/05/67/926490567.db2.gz QQLCWKJYEMPKBM-CYBMUJFWSA-N 1 0 290.411 1.819 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1Cc1cc(OC)c(OC)cc1O ZINC000843055565 937108685 /nfs/dbraw/zinc/10/86/85/937108685.db2.gz LTFISMLRDDXPPM-GFCCVEGCSA-N 1 0 280.368 1.593 20 10 CDCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(N)nc2)cc1 ZINC000843125866 937114841 /nfs/dbraw/zinc/11/48/41/937114841.db2.gz KAXBIZKDZVCHJG-OAHLLOKOSA-N 1 0 285.395 1.519 20 10 CDCDRO CC(C)(C)c1cccc(CN2CCNC(=O)C2)c1O ZINC001143104008 937120588 /nfs/dbraw/zinc/12/05/88/937120588.db2.gz OAPFPSMCLBYENE-UHFFFAOYSA-N 1 0 262.353 1.622 20 10 CDCDRO COc1cc(Cl)cc(CN(C)C[C@@H](C)[NH3+])c1O ZINC000379750549 927317141 /nfs/dbraw/zinc/31/71/41/927317141.db2.gz KWQWSQGVDRSGOX-MRVPVSSYSA-N 1 0 258.749 1.833 20 10 CDCDRO COc1cc(C[NH2+]CC(=O)N(C)C)c(O)c(C(C)(C)C)c1 ZINC000850009770 927356094 /nfs/dbraw/zinc/35/60/94/927356094.db2.gz PTVRMZMCWZIDEE-UHFFFAOYSA-N 1 0 294.395 1.876 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c(O)c1 ZINC000843499426 937156676 /nfs/dbraw/zinc/15/66/76/937156676.db2.gz GZMYRHOHYRYVHJ-GFCCVEGCSA-N 1 0 266.341 1.390 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000850361652 927421905 /nfs/dbraw/zinc/42/19/05/927421905.db2.gz UPCCCSJQEWYJTK-JTQLQIEISA-N 1 0 251.326 1.651 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCOC3)cc2)CC1 ZINC000850565608 927444370 /nfs/dbraw/zinc/44/43/70/927444370.db2.gz GUUQPLOKVATYBJ-OAHLLOKOSA-N 1 0 290.407 1.916 20 10 CDCDRO C[NH2+]C[C@H](C)N[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000854232530 928172451 /nfs/dbraw/zinc/17/24/51/928172451.db2.gz SDOLZRFNHIJQHK-VHSXEESVSA-N 1 0 266.341 1.437 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C2CC2)cc1F ZINC000858137801 928810020 /nfs/dbraw/zinc/81/00/20/928810020.db2.gz GVLOLFUEBOZDKA-ZDUSSCGKSA-N 1 0 270.323 1.891 20 10 CDCDRO CC1(C)CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1CCO ZINC000783714559 937278722 /nfs/dbraw/zinc/27/87/22/937278722.db2.gz RZBMOHNHQUVSHI-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN(CCO)C(C)(C)C2)cc1C ZINC000783714527 937278737 /nfs/dbraw/zinc/27/87/37/937278737.db2.gz RDWJBQBWLLNUCC-UHFFFAOYSA-N 1 0 292.423 1.898 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC1(O)CCOCC1 ZINC000783715158 937278946 /nfs/dbraw/zinc/27/89/46/937278946.db2.gz IDUYXWXHNPXDRX-UHFFFAOYSA-N 1 0 295.335 1.094 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(F)ccc1O ZINC000858548848 928882420 /nfs/dbraw/zinc/88/24/20/928882420.db2.gz QAMYAYAMWRSXNG-CMPLNLGQSA-N 1 0 268.332 1.249 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1 ZINC000785793119 929176941 /nfs/dbraw/zinc/17/69/41/929176941.db2.gz FMNUESOWJYJSER-HNNXBMFYSA-N 1 0 264.369 1.336 20 10 CDCDRO CC[N@H+](CCO)Cc1c(O)cccc1Br ZINC000862211130 929386769 /nfs/dbraw/zinc/38/67/69/929386769.db2.gz DSJIQLKAQGBNHR-UHFFFAOYSA-N 1 0 274.158 1.969 20 10 CDCDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(OC)ccc1O ZINC000862387138 929408287 /nfs/dbraw/zinc/40/82/87/929408287.db2.gz HMEIKPUVLQNTNM-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000862539263 929424551 /nfs/dbraw/zinc/42/45/51/929424551.db2.gz LGVMVMXAESEJSC-VIFPVBQESA-N 1 0 286.759 1.852 20 10 CDCDRO CCN(CC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000863644727 929584639 /nfs/dbraw/zinc/58/46/39/929584639.db2.gz HVXVTIXSPXMJPU-UHFFFAOYSA-N 1 0 263.385 1.304 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cccc(C)c2O)C1 ZINC000788830264 929604690 /nfs/dbraw/zinc/60/46/90/929604690.db2.gz BVSWNKDIBSMWQR-UHFFFAOYSA-N 1 0 264.325 1.631 20 10 CDCDRO CN(C)c1ccc(Cn2cc(CCC[NH3+])nn2)cc1 ZINC000881272027 929804025 /nfs/dbraw/zinc/80/40/25/929804025.db2.gz JIDMUUVHMKVSCS-UHFFFAOYSA-N 1 0 259.357 1.284 20 10 CDCDRO Cc1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)ccc1N(C)C ZINC000815092798 929935156 /nfs/dbraw/zinc/93/51/56/929935156.db2.gz RXKOCMCKZZOOHZ-INIZCTEOSA-N 1 0 289.423 1.577 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000129940604 930067140 /nfs/dbraw/zinc/06/71/40/930067140.db2.gz KSSLHFHCUSGLEP-UHFFFAOYSA-N 1 0 291.439 1.641 20 10 CDCDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132916157 930279814 /nfs/dbraw/zinc/27/98/14/930279814.db2.gz SRNXTRLRFBMDRI-NSHDSACASA-N 1 0 295.358 1.016 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)cc1C ZINC000817367090 930521709 /nfs/dbraw/zinc/52/17/09/930521709.db2.gz BDJPDUNWMSVRAD-CYBMUJFWSA-N 1 0 278.352 1.420 20 10 CDCDRO C[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC000817860500 930613512 /nfs/dbraw/zinc/61/35/12/930613512.db2.gz OERYIJOIDWVPEF-MBNYWOFBSA-N 1 0 275.396 1.643 20 10 CDCDRO COC(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000135230116 930613854 /nfs/dbraw/zinc/61/38/54/930613854.db2.gz DHHMVZCIISFICB-UHFFFAOYSA-N 1 0 253.298 1.636 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000817896935 930621962 /nfs/dbraw/zinc/62/19/62/930621962.db2.gz ZMWBXGMGTLYLOY-IAGOWNOFSA-N 1 0 289.423 1.609 20 10 CDCDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817941173 930639574 /nfs/dbraw/zinc/63/95/74/930639574.db2.gz NBTZDZSTKNLVTP-JTQLQIEISA-N 1 0 279.340 1.951 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817944633 930641880 /nfs/dbraw/zinc/64/18/80/930641880.db2.gz IPGBIGCESCJBHD-CQSZACIVSA-N 1 0 281.375 1.477 20 10 CDCDRO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956030 930644622 /nfs/dbraw/zinc/64/46/22/930644622.db2.gz OEKWFYFSLRUZCE-CABCVRRESA-N 1 0 296.436 1.757 20 10 CDCDRO C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817959702 930646616 /nfs/dbraw/zinc/64/66/16/930646616.db2.gz GYPVMTWHMMXZKH-QMMMGPOBSA-N 1 0 253.302 1.688 20 10 CDCDRO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000818230579 930686850 /nfs/dbraw/zinc/68/68/50/930686850.db2.gz HFHYKXHCWZGIAC-UKRRQHHQSA-N 1 0 280.343 1.275 20 10 CDCDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997174 930746640 /nfs/dbraw/zinc/74/66/40/930746640.db2.gz UANZQBZAUQBLKO-WFASDCNBSA-N 1 0 295.379 1.124 20 10 CDCDRO CC(C)(C)OC[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253479771 930803690 /nfs/dbraw/zinc/80/36/90/930803690.db2.gz RXICUVNCQSVPEH-LLVKDONJSA-N 1 0 269.341 1.363 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1 ZINC000886225833 930832394 /nfs/dbraw/zinc/83/23/94/930832394.db2.gz CIDIRKCLKDEAGU-UONOGXRCSA-N 1 0 265.353 1.720 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CCN2CCNC2=O)cc1 ZINC000886324594 930860060 /nfs/dbraw/zinc/86/00/60/930860060.db2.gz ZVDVEULSAFRTJN-UHFFFAOYSA-N 1 0 290.411 1.648 20 10 CDCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000219438177 930879384 /nfs/dbraw/zinc/87/93/84/930879384.db2.gz NBAKZHQUWANCFS-NSHDSACASA-N 1 0 261.243 1.634 20 10 CDCDRO CC[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1O ZINC000821391135 931042710 /nfs/dbraw/zinc/04/27/10/931042710.db2.gz IANBDYXADWPCAT-ZDUSSCGKSA-N 1 0 252.358 1.137 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000829764576 931313458 /nfs/dbraw/zinc/31/34/58/931313458.db2.gz PLRSJWCRZZAXTD-LBPRGKRZSA-N 1 0 275.396 1.818 20 10 CDCDRO Cc1cc(O)c(CN2CCN3C(=O)NC[C@@H]3C2)cc1Cl ZINC000824920346 931486372 /nfs/dbraw/zinc/48/63/72/931486372.db2.gz KUAKTZGJCGRWQP-LLVKDONJSA-N 1 0 295.770 1.563 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](C)CC(=O)NC)c(O)c1 ZINC000825068843 931490215 /nfs/dbraw/zinc/49/02/15/931490215.db2.gz YNZIGANSMAWXIQ-JTQLQIEISA-N 1 0 266.341 1.405 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000825182842 931492808 /nfs/dbraw/zinc/49/28/08/931492808.db2.gz BTJYOSHNCIAGMO-ZYHUDNBSSA-N 1 0 251.326 1.651 20 10 CDCDRO [NH3+][C@H]1CN(Cc2ccc(O)cc2O)CC(F)(F)C1 ZINC001206117054 931667999 /nfs/dbraw/zinc/66/79/99/931667999.db2.gz IJZKXBPTJHECFN-SECBINFHSA-N 1 0 258.268 1.266 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499197 931858971 /nfs/dbraw/zinc/85/89/71/931858971.db2.gz DSIPKBKXPFAYQT-SECBINFHSA-N 1 0 281.308 1.188 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1 ZINC001144500418 931859954 /nfs/dbraw/zinc/85/99/54/931859954.db2.gz TZEFVPBHCVLRDK-GHMZBOCLSA-N 1 0 271.288 1.098 20 10 CDCDRO C[C@]1(CO)CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144503746 931863838 /nfs/dbraw/zinc/86/38/38/931863838.db2.gz BPPGRWAMECXJJE-HNNXBMFYSA-N 1 0 281.352 1.788 20 10 CDCDRO CC[N@H+](CCn1cccn1)Cc1c(O)cc(O)cc1O ZINC001144514386 931877066 /nfs/dbraw/zinc/87/70/66/931877066.db2.gz AYYDVCHWBFLVBA-UHFFFAOYSA-N 1 0 277.324 1.522 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cn[nH]c2)cc1 ZINC000846051531 931965695 /nfs/dbraw/zinc/96/56/95/931965695.db2.gz FHDAFLMCZLFQOD-UHFFFAOYSA-N 1 0 274.368 1.987 20 10 CDCDRO O=C1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CN1C1CC1 ZINC000846070963 931967125 /nfs/dbraw/zinc/96/71/25/931967125.db2.gz BDQVGTCMWBUAPP-SNVBAGLBSA-N 1 0 278.327 1.632 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC(=O)N(CC)C2)c1 ZINC000846094904 931970353 /nfs/dbraw/zinc/97/03/53/931970353.db2.gz VAOLRIDMYVCTAI-GFCCVEGCSA-N 1 0 292.379 1.749 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000846108004 931974087 /nfs/dbraw/zinc/97/40/87/931974087.db2.gz APOWANXAJWWWQQ-HNNXBMFYSA-N 1 0 265.353 1.722 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148319 931980715 /nfs/dbraw/zinc/98/07/15/931980715.db2.gz ZDXLSMNATPUPKP-SNVBAGLBSA-N 1 0 287.381 1.486 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846165234 931983643 /nfs/dbraw/zinc/98/36/43/931983643.db2.gz UKOJWUCVSROBOS-SNVBAGLBSA-N 1 0 266.341 1.530 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000846172958 931985428 /nfs/dbraw/zinc/98/54/28/931985428.db2.gz OEELWYGQZODDGT-MNOVXSKESA-N 1 0 280.368 1.965 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)C(C)C)c1O ZINC000846136487 931985508 /nfs/dbraw/zinc/98/55/08/931985508.db2.gz IWDCEHXIZDQYMT-NSHDSACASA-N 1 0 280.368 1.824 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1O ZINC000846143734 931987369 /nfs/dbraw/zinc/98/73/69/931987369.db2.gz GKKKDPTZQCQVCE-STQMWFEESA-N 1 0 294.395 1.772 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846697368 932114778 /nfs/dbraw/zinc/11/47/78/932114778.db2.gz OTRNCUAPVRENHP-CQSZACIVSA-N 1 0 279.384 1.327 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)cc1C ZINC001117944937 937572325 /nfs/dbraw/zinc/57/23/25/937572325.db2.gz NDGNBHHHPWZWEO-CABCVRRESA-N 1 0 292.379 1.169 20 10 CDCDRO CCN(Cc1ccccc1O)c1ncc2c(n1)CC[NH2+]C2 ZINC001154890397 937600211 /nfs/dbraw/zinc/60/02/11/937600211.db2.gz YNYOTEGYZOTUQP-UHFFFAOYSA-N 1 0 284.363 1.854 20 10 CDCDRO CC[C@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CC[NH2+]C1 ZINC001118196939 937601535 /nfs/dbraw/zinc/60/15/35/937601535.db2.gz GKAFLXZPXINMSQ-BZNIZROVSA-N 1 0 292.379 1.968 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000234937311 932631646 /nfs/dbraw/zinc/63/16/46/932631646.db2.gz SRPKIEACFKHTMZ-SNVBAGLBSA-N 1 0 251.282 1.342 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccccc1O ZINC000925430919 932886607 /nfs/dbraw/zinc/88/66/07/932886607.db2.gz ZTRGZWZPZNVVJX-MNOVXSKESA-N 1 0 263.341 1.457 20 10 CDCDRO COc1ccc(N2CC[NH+](CCOC3CC3)CC2)cc1 ZINC000929153110 933208479 /nfs/dbraw/zinc/20/84/79/933208479.db2.gz PIWCHRUTIZVPLI-UHFFFAOYSA-N 1 0 276.380 1.996 20 10 CDCDRO CON(C)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119288378 937706052 /nfs/dbraw/zinc/70/60/52/937706052.db2.gz CTYYJBMCZYJCGT-UHFFFAOYSA-N 1 0 263.385 1.870 20 10 CDCDRO COc1ccnc(N2CC[NH+](Cc3ccc(N)cc3)CC2)c1 ZINC001120371102 937796225 /nfs/dbraw/zinc/79/62/25/937796225.db2.gz QJDNMLPDTAVVAW-UHFFFAOYSA-N 1 0 298.390 1.995 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1COCCO1 ZINC000037997919 934843164 /nfs/dbraw/zinc/84/31/64/934843164.db2.gz GQYVOOYMVGZOKA-INIZCTEOSA-N 1 0 292.379 1.028 20 10 CDCDRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCOC1 ZINC000795582099 934881196 /nfs/dbraw/zinc/88/11/96/934881196.db2.gz ICFSLICDAABHFW-PWSUYJOCSA-N 1 0 285.771 1.780 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cc(OC)c(C)cc2O)C[C@@H](C)O1 ZINC000249942082 934959444 /nfs/dbraw/zinc/95/94/44/934959444.db2.gz TUXZBNYGCUEIED-TZMCWYRMSA-N 1 0 295.379 1.945 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001276366102 935231763 /nfs/dbraw/zinc/23/17/63/935231763.db2.gz ZSNJGUPQWKDBQF-OKILXGFUSA-N 1 0 276.380 1.524 20 10 CDCDRO O=C1N[C@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]2CO1 ZINC000281237390 935717393 /nfs/dbraw/zinc/71/73/93/935717393.db2.gz LNEORFDWTODBAC-NEPJUHHUSA-N 1 0 262.309 1.323 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(C)=O)C2)cc1C ZINC001019904890 935720100 /nfs/dbraw/zinc/72/01/00/935720100.db2.gz DRPRJGBIGGQOEH-HDJSIYSDSA-N 1 0 262.353 1.760 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCNC(=O)CC2)c1 ZINC000396768546 936202133 /nfs/dbraw/zinc/20/21/33/936202133.db2.gz QZKYSTDXIGVKEI-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120676899 937824804 /nfs/dbraw/zinc/82/48/04/937824804.db2.gz FYXMFTKZCZDDHV-ZDUSSCGKSA-N 1 0 276.384 1.410 20 10 CDCDRO O=C(C1CC[NH2+]CC1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924627 938844504 /nfs/dbraw/zinc/84/45/04/938844504.db2.gz MCLNXGZAZOTQDM-UHFFFAOYSA-N 1 0 290.363 1.372 20 10 CDCDRO CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)cc3O)C[C@@H]2C1 ZINC001203635344 939699099 /nfs/dbraw/zinc/69/90/99/939699099.db2.gz QEOZTHUJMFHSAG-OKILXGFUSA-N 1 0 276.380 1.784 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1 ZINC001203670344 939700392 /nfs/dbraw/zinc/70/03/92/939700392.db2.gz OIQNWZYFFCCYBW-JSGCOSHPSA-N 1 0 269.316 1.696 20 10 CDCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cc1O ZINC001203875698 939710408 /nfs/dbraw/zinc/71/04/08/939710408.db2.gz SOELOFVJHQMKBQ-LBPRGKRZSA-N 1 0 279.336 1.214 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278322 939750922 /nfs/dbraw/zinc/75/09/22/939750922.db2.gz DLKXTXAHWRGRBU-PWSUYJOCSA-N 1 0 279.336 1.729 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@](C)(O)C2)cc(O)c1O ZINC001204344195 939758184 /nfs/dbraw/zinc/75/81/84/939758184.db2.gz VYFLAPPWOCBASB-HNNXBMFYSA-N 1 0 281.352 1.843 20 10 CDCDRO [NH3+]C[C@]1(O)CCCCN(Cc2c(O)ccc(F)c2F)C1 ZINC001205725852 939928059 /nfs/dbraw/zinc/92/80/59/939928059.db2.gz MFRMUOULDLLYDU-CQSZACIVSA-N 1 0 286.322 1.346 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(F)c(F)cc2O)CC[C@@H]1F ZINC001206182629 939993026 /nfs/dbraw/zinc/99/30/26/939993026.db2.gz CKQGAECQPUXIJK-JOYOIKCWSA-N 1 0 274.286 1.932 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC001209874307 940649045 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C[NH+]1CC2(C1)CCCN(c1ccc3c(c1)OCCO3)C2 ZINC001277014558 941815081 /nfs/dbraw/zinc/81/50/81/941815081.db2.gz ROEYXMZTBYYSID-UHFFFAOYSA-N 1 0 274.364 1.990 20 10 CDCDRO NC(=O)C12CC([NH2+]Cc3ccc(N4CCCC4)cc3)(C1)C2 ZINC001277210262 942178076 /nfs/dbraw/zinc/17/80/76/942178076.db2.gz PPRHEMMPYDPTEM-UHFFFAOYSA-N 1 0 285.391 1.784 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001231586156 942937054 /nfs/dbraw/zinc/93/70/54/942937054.db2.gz CGOZMEVPLZVLCD-MLGOLLRUSA-N 1 0 273.332 1.330 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(CCC(C)(C)O)CC2)c1O ZINC001231594355 942939424 /nfs/dbraw/zinc/93/94/24/942939424.db2.gz FRSGIFANTOWYEV-UHFFFAOYSA-N 1 0 292.423 1.979 20 10 CDCDRO CC[N@H+](CCOC)Cc1cc(OC)c(O)cc1O ZINC001231634695 942950165 /nfs/dbraw/zinc/95/01/65/942950165.db2.gz QXYOVZOBJSVKAZ-UHFFFAOYSA-N 1 0 255.314 1.575 20 10 CDCDRO COc1cc(C[N@H+](C)CC2(C)COC2)c(O)cc1O ZINC001231634887 942951502 /nfs/dbraw/zinc/95/15/02/942951502.db2.gz BADBFDKXCSRVGL-UHFFFAOYSA-N 1 0 267.325 1.575 20 10 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LNJATCGQNODIGG-CYBMUJFWSA-N 1 0 262.353 1.719 20 10 CDCDRO COc1cc(N(C)C)ccc1CN(C)[C@H]1CC[N@H+](C)C1 ZINC001231854065 943032181 /nfs/dbraw/zinc/03/21/81/943032181.db2.gz YBATXGNAAMLAKO-HNNXBMFYSA-N 1 0 277.412 1.897 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC001231879227 943039638 /nfs/dbraw/zinc/03/96/38/943039638.db2.gz ATPFBSZJXPRHOR-HIFRSBDPSA-N 1 0 273.332 1.330 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258917 943190600 /nfs/dbraw/zinc/19/06/00/943190600.db2.gz DEPZFRYAJKAEJH-ZDUSSCGKSA-N 1 0 271.744 1.956 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261388 943192091 /nfs/dbraw/zinc/19/20/91/943192091.db2.gz GBNSNFOQMPPZCN-QMMMGPOBSA-N 1 0 257.717 1.565 20 10 CDCDRO COCC1C[NH+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232834985 943413417 /nfs/dbraw/zinc/41/34/17/943413417.db2.gz SVVOHVCAAULYIO-UHFFFAOYSA-N 1 0 250.342 1.536 20 10 CDCDRO CCN1CC[N@H+](Cc2ccc(N(C)C)cc2O)[C@H](C)C1 ZINC001232841993 943417414 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Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)C2 ZINC000848563896 969175206 /nfs/dbraw/zinc/17/52/06/969175206.db2.gz YQSYFAFCKARMIU-VXGBXAGGSA-N 1 0 284.363 1.655 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)O ZINC001356114676 969335036 /nfs/dbraw/zinc/33/50/36/969335036.db2.gz YGIDFPBDFVFZNL-WWGRRREGSA-N 1 0 279.428 1.714 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000848909679 969348467 /nfs/dbraw/zinc/34/84/67/969348467.db2.gz ZIWBKSJIWOKAHD-GWCFXTLKSA-N 1 0 262.353 1.569 20 10 CDCDRO CN(C)c1ccc(CNC2=[NH+]CCCN2C)cc1F ZINC000848998968 969391783 /nfs/dbraw/zinc/39/17/83/969391783.db2.gz NRKFYHVKHLZJKU-UHFFFAOYSA-N 1 0 264.348 1.673 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc(N)cc1 ZINC000001657938 970079850 /nfs/dbraw/zinc/07/98/50/970079850.db2.gz XZWVWFAACPNVGC-UHFFFAOYSA-N 1 0 261.369 1.366 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC001576104858 1171333127 /nfs/dbraw/zinc/33/31/27/1171333127.db2.gz KESDUYQDNAECDH-SFYZADRCSA-N 1 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SABPLGNYZOWUDR-NEPJUHHUSA-N 1 0 253.342 1.667 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COCCN2)cc1C ZINC000530182649 368147249 /nfs/dbraw/zinc/14/72/49/368147249.db2.gz XOVNHOHRDQOPCW-ZDUSSCGKSA-N 1 0 250.342 1.087 20 10 CDCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(F)ccc3O)C2)cn1 ZINC000371496119 370294402 /nfs/dbraw/zinc/29/44/02/370294402.db2.gz HMHZWCSSWFERBH-CYBMUJFWSA-N 1 0 290.342 1.633 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cccc(C)c1O ZINC000124563811 374812780 /nfs/dbraw/zinc/81/27/80/374812780.db2.gz JVVJCKBALNBILU-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000296064970 378715548 /nfs/dbraw/zinc/71/55/48/378715548.db2.gz WEYFTFIWBFTENH-RRFJBIMHSA-N 1 0 264.369 1.553 20 10 CDCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1COCCN1 ZINC001580888748 1172566525 /nfs/dbraw/zinc/56/65/25/1172566525.db2.gz XWIHNIWIDBYOBY-LLVKDONJSA-N 1 0 256.733 1.124 20 10 CDCDRO CCC(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000106702212 390552652 /nfs/dbraw/zinc/55/26/52/390552652.db2.gz JCZPAPYYQICBMV-UHFFFAOYSA-N 1 0 293.386 1.994 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000168733759 390936980 /nfs/dbraw/zinc/93/69/80/390936980.db2.gz XJNFRORYRIYVIW-NSHDSACASA-N 1 0 262.353 1.877 20 10 CDCDRO [NH3+]CCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000132916783 390899806 /nfs/dbraw/zinc/89/98/06/390899806.db2.gz QBMJZWIGBNVRLT-UHFFFAOYSA-N 1 0 295.358 1.017 20 10 CDCDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(OC)ccc1O ZINC000133662965 390903791 /nfs/dbraw/zinc/90/37/91/390903791.db2.gz NBVVJDGDLCQPHC-UHFFFAOYSA-N 1 0 280.368 1.701 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373274940 391114019 /nfs/dbraw/zinc/11/40/19/391114019.db2.gz ONHPRCKYXDLUDC-OAHLLOKOSA-N 1 0 263.337 1.748 20 10 CDCDRO OCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000177715875 391175665 /nfs/dbraw/zinc/17/56/65/391175665.db2.gz UIMSTQXIVLATDE-ZDUSSCGKSA-N 1 0 251.326 1.366 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000124523237 391218294 /nfs/dbraw/zinc/21/82/94/391218294.db2.gz TZSLBEARRHHZHH-UHFFFAOYSA-N 1 0 262.353 1.659 20 10 CDCDRO O=C1C[N@@H+](Cc2ccccc2O)[C@H]2CCCC[C@H]2N1 ZINC000179565392 391211896 /nfs/dbraw/zinc/21/18/96/391211896.db2.gz YWEYGBVSNFBVEF-OLZOCXBDSA-N 1 0 260.337 1.635 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000183628439 391267883 /nfs/dbraw/zinc/26/78/83/391267883.db2.gz OFLQCWSQNIABOP-NEPJUHHUSA-N 1 0 298.408 1.324 20 10 CDCDRO CCOc1cccc(CNCC(F)(F)CO)c1O ZINC000183889466 391273504 /nfs/dbraw/zinc/27/35/04/391273504.db2.gz ARUNAAZAXUWUDA-UHFFFAOYSA-N 1 0 261.268 1.508 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1OC ZINC000195008123 391374193 /nfs/dbraw/zinc/37/41/93/391374193.db2.gz FLIXLCBREGRFPI-OTYXRUKQSA-N 1 0 294.351 1.024 20 10 CDCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(N)=O ZINC000282517909 391469273 /nfs/dbraw/zinc/46/92/73/391469273.db2.gz SRHLJFOFCXQMQG-NSHDSACASA-N 1 0 293.367 1.578 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(OC)ccc1O ZINC000224915971 260749970 /nfs/dbraw/zinc/74/99/70/260749970.db2.gz WUSKIHCSIHFOHH-UHFFFAOYSA-N 1 0 266.341 1.263 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000183468012 261975897 /nfs/dbraw/zinc/97/58/97/261975897.db2.gz KZTPYBARADEGHE-UHFFFAOYSA-N 1 0 264.325 1.098 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185331168 262051100 /nfs/dbraw/zinc/05/11/00/262051100.db2.gz PDGBWQWVNVBIEX-NSHDSACASA-N 1 0 271.382 1.786 20 10 CDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000124536115 262553920 /nfs/dbraw/zinc/55/39/20/262553920.db2.gz JOZOWBQAYVYYMQ-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368971711 267215608 /nfs/dbraw/zinc/21/56/08/267215608.db2.gz CUWPPFYGUKTQIS-JKOKRWQUSA-N 1 0 290.363 1.487 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCN2)c1O ZINC000530182322 271135889 /nfs/dbraw/zinc/13/58/89/271135889.db2.gz TYOBMVIXYVZPHY-LLVKDONJSA-N 1 0 286.759 1.132 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000237886018 329695102 /nfs/dbraw/zinc/69/51/02/329695102.db2.gz DHLAQQMIVUEGHO-UHFFFAOYSA-N 1 0 287.407 1.802 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC1(C[NH3+])CC1 ZINC000423428648 330198478 /nfs/dbraw/zinc/19/84/78/330198478.db2.gz KOEKSZRUWHAQPO-UHFFFAOYSA-N 1 0 289.379 1.607 20 10 CDCDRO COc1cccc(C[NH2+]CCN2CCSCC2)c1O ZINC000226246658 333254986 /nfs/dbraw/zinc/25/49/86/333254986.db2.gz AUAWJRCBSIURBZ-UHFFFAOYSA-N 1 0 282.409 1.539 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1cc(F)ccc1O ZINC000529639172 333502639 /nfs/dbraw/zinc/50/26/39/333502639.db2.gz OKFYMTALMFOUMR-UHFFFAOYSA-N 1 0 250.277 1.433 20 10 CDCDRO CC[N@@H+]1CCCN(C(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC000319988440 1160136514 /nfs/dbraw/zinc/13/65/14/1160136514.db2.gz GNGTVRCZDHBKHU-NSHDSACASA-N 1 0 278.352 1.654 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCS(C)(=O)=O)c(O)c1 ZINC000037740602 518189610 /nfs/dbraw/zinc/18/96/10/518189610.db2.gz NPZPWHOIGZLOFH-SNVBAGLBSA-N 1 0 257.355 1.396 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000790757971 1162168765 /nfs/dbraw/zinc/16/87/65/1162168765.db2.gz ALORFRWRJKTBKX-UONOGXRCSA-N 1 0 297.395 1.765 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](C[NH3+])OC)cc1 ZINC000278240377 520898973 /nfs/dbraw/zinc/89/89/73/520898973.db2.gz LHRZADIGONABTK-HNNXBMFYSA-N 1 0 293.411 1.513 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1F ZINC000265804613 520911366 /nfs/dbraw/zinc/91/13/66/520911366.db2.gz UKSJICNJPVKWDL-CYBMUJFWSA-N 1 0 293.386 1.992 20 10 CDCDRO CC1CC[NH+](CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000040770865 521010245 /nfs/dbraw/zinc/01/02/45/521010245.db2.gz VCRVMZZWCDDBOP-UHFFFAOYSA-N 1 0 275.396 1.659 20 10 CDCDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H](C)CO ZINC000292808555 521293704 /nfs/dbraw/zinc/29/37/04/521293704.db2.gz OKTIJVKYCOLWOJ-SNVBAGLBSA-N 1 0 269.341 1.612 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2CCN(C=O)CC2)cc1 ZINC000278157109 522205265 /nfs/dbraw/zinc/20/52/65/522205265.db2.gz AXQYEDBHKXIIBY-UHFFFAOYSA-N 1 0 261.369 1.463 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000234823142 522687541 /nfs/dbraw/zinc/68/75/41/522687541.db2.gz SBQGNBPUBUKLFP-UWVGGRQHSA-N 1 0 255.314 1.059 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@H]1CCCO1 ZINC000278699455 522749002 /nfs/dbraw/zinc/74/90/02/522749002.db2.gz QQRUZCDWOGJOGQ-DZGCQCFKSA-N 1 0 265.353 1.984 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000290268717 524009685 /nfs/dbraw/zinc/00/96/85/524009685.db2.gz VXZNWLJLSFSXRG-QWRKXWFKSA-N 1 0 255.289 1.596 20 10 CDCDRO CNC(=O)CN1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000071407494 524072233 /nfs/dbraw/zinc/07/22/33/524072233.db2.gz DUKQDGTUJUHGRW-UHFFFAOYSA-N 1 0 291.395 1.001 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617176 524359558 /nfs/dbraw/zinc/35/95/58/524359558.db2.gz WNLOJQUVGCCFKQ-VXGBXAGGSA-N 1 0 282.359 1.903 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000366554582 524405487 /nfs/dbraw/zinc/40/54/87/524405487.db2.gz MRCOGPUYYLBLAA-LBPRGKRZSA-N 1 0 283.393 1.567 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000280987082 524431894 /nfs/dbraw/zinc/43/18/94/524431894.db2.gz WQVIZSBCUOCAJM-KGLIPLIRSA-N 1 0 265.353 1.435 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000279707335 524740277 /nfs/dbraw/zinc/74/02/77/524740277.db2.gz SAORYAXVCDDRJQ-LRDDRELGSA-N 1 0 293.363 1.781 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC(C)C)c1 ZINC000036781580 524767954 /nfs/dbraw/zinc/76/79/54/524767954.db2.gz NNXBPWGCPMKSMS-JTQLQIEISA-N 1 0 266.341 1.576 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000279923061 525100441 /nfs/dbraw/zinc/10/04/41/525100441.db2.gz XOAIEMCIVCZKNL-UHFFFAOYSA-N 1 0 287.356 1.588 20 10 CDCDRO CS(=O)(=O)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000083552401 525116538 /nfs/dbraw/zinc/11/65/38/525116538.db2.gz FFPSKUCAZKZOBW-UHFFFAOYSA-N 1 0 277.773 1.570 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1C ZINC000280106365 525317630 /nfs/dbraw/zinc/31/76/30/525317630.db2.gz ARNVCWJGXUPZJE-OAHLLOKOSA-N 1 0 262.353 1.706 20 10 CDCDRO C[C@@H](O)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000130741561 525783500 /nfs/dbraw/zinc/78/35/00/525783500.db2.gz YFOAAAKZEXGATA-MRVPVSSYSA-N 1 0 274.158 1.967 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000292874064 525950109 /nfs/dbraw/zinc/95/01/09/525950109.db2.gz WSJUWDFHYQIPJI-NSHDSACASA-N 1 0 299.392 1.267 20 10 CDCDRO COc1cccc(C[NH2+]CC(=O)NC(C)C)c1O ZINC000036781599 526010435 /nfs/dbraw/zinc/01/04/35/526010435.db2.gz FENXFUGWBAPWSY-UHFFFAOYSA-N 1 0 252.314 1.015 20 10 CDCDRO OCCOCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265809853 527556515 /nfs/dbraw/zinc/55/65/15/527556515.db2.gz PTFAONQCLRBTMD-HNNXBMFYSA-N 1 0 295.379 1.382 20 10 CDCDRO C[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000093341193 1174438132 /nfs/dbraw/zinc/43/81/32/1174438132.db2.gz KVOBGVINDXVSAS-HNNXBMFYSA-N 1 0 279.336 1.715 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CO)CC2CC2)c1O ZINC000754831887 575074732 /nfs/dbraw/zinc/07/47/32/575074732.db2.gz BGXBWIDGCGDRKC-LBPRGKRZSA-N 1 0 251.326 1.651 20 10 CDCDRO C[N@H+](CCNC(=O)NCc1ccccc1O)C1CC1 ZINC000732885529 575098521 /nfs/dbraw/zinc/09/85/21/575098521.db2.gz BBEFVRGNVNVVRM-UHFFFAOYSA-N 1 0 263.341 1.286 20 10 CDCDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770510503 575458479 /nfs/dbraw/zinc/45/84/79/575458479.db2.gz MVYDPYRXVMJJBE-AWEZNQCLSA-N 1 0 274.364 1.979 20 10 CDCDRO CNC(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765331226 576009310 /nfs/dbraw/zinc/00/93/10/576009310.db2.gz CUBQLCVMEDILTH-CYBMUJFWSA-N 1 0 291.395 1.310 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CC[S@](C)=O)CC2)cc1 ZINC000766048690 576074382 /nfs/dbraw/zinc/07/43/82/576074382.db2.gz BHGVUTLGXIXDNO-FQEVSTJZSA-N 1 0 296.436 1.632 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000766469085 576105215 /nfs/dbraw/zinc/10/52/15/576105215.db2.gz NMLYPWTYOVJJBJ-CQSZACIVSA-N 1 0 299.754 1.857 20 10 CDCDRO CCC1(O)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768465330 576287274 /nfs/dbraw/zinc/28/72/74/576287274.db2.gz GZKQWZIVNPVQGU-AWEZNQCLSA-N 1 0 293.363 1.555 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000769482002 576357748 /nfs/dbraw/zinc/35/77/48/576357748.db2.gz DVUGHAGQQRBMKZ-ZFWWWQNUSA-N 1 0 262.353 1.215 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000769482000 576358087 /nfs/dbraw/zinc/35/80/87/576358087.db2.gz DVUGHAGQQRBMKZ-HIFRSBDPSA-N 1 0 262.353 1.215 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000749128314 576936589 /nfs/dbraw/zinc/93/65/89/576936589.db2.gz LZDMRLCMNZLOJQ-SECBINFHSA-N 1 0 253.321 1.245 20 10 CDCDRO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ncn1 ZINC000756989161 577018924 /nfs/dbraw/zinc/01/89/24/577018924.db2.gz BIJSDMDUETVNCL-UHFFFAOYSA-N 1 0 298.390 1.911 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000759171824 577156936 /nfs/dbraw/zinc/15/69/36/577156936.db2.gz ASDCTSZDTGGGAE-ZBFHGGJFSA-N 1 0 277.364 1.905 20 10 CDCDRO CCCN(CC(=O)OC)Cc1ccc(OC)c(OC)c1O ZINC000891401489 617383870 /nfs/dbraw/zinc/38/38/70/617383870.db2.gz XSPWBNAZHMURKJ-UHFFFAOYSA-N 1 0 297.351 1.794 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1O ZINC000892565374 617508843 /nfs/dbraw/zinc/50/88/43/617508843.db2.gz JXUPZNMZJRNMJH-DCAQKATOSA-N 1 0 263.341 1.490 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1O ZINC000892170189 617523371 /nfs/dbraw/zinc/52/33/71/617523371.db2.gz PYBNWPXADWDQIH-IJLUTSLNSA-N 1 0 277.368 1.880 20 10 CDCDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000044532256 617582448 /nfs/dbraw/zinc/58/24/48/617582448.db2.gz ALAPSUFBIORVSF-CYBMUJFWSA-N 1 0 261.369 1.269 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c(O)c1 ZINC000877326283 618605862 /nfs/dbraw/zinc/60/58/62/618605862.db2.gz VRAVKTMQJYERJF-GTNSWQLSSA-N 1 0 255.383 1.899 20 10 CDCDRO Oc1cc2c(cc1CN1CC[C@]3(CCC[NH2+]3)C1)OCO2 ZINC000841106403 618628251 /nfs/dbraw/zinc/62/82/51/618628251.db2.gz LTIJAKLSWAOLFU-OAHLLOKOSA-N 1 0 276.336 1.449 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCN(C)C2)c1O ZINC000894198755 618688416 /nfs/dbraw/zinc/68/84/16/618688416.db2.gz HIWBQCMFUZLJSJ-ZDUSSCGKSA-N 1 0 264.369 1.893 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csnn2)cc1 ZINC000843298806 618701824 /nfs/dbraw/zinc/70/18/24/618701824.db2.gz QCAPHZDGHWUUHX-NSHDSACASA-N 1 0 291.380 1.034 20 10 CDCDRO COCCCN(C)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894314338 618760617 /nfs/dbraw/zinc/76/06/17/618760617.db2.gz AXSMIDPAIYRUKA-UHFFFAOYSA-N 1 0 296.411 1.767 20 10 CDCDRO CC[C@@H](O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894352102 618811773 /nfs/dbraw/zinc/81/17/73/618811773.db2.gz KRMRSCOWRFCUFZ-GFCCVEGCSA-N 1 0 253.342 1.960 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894872193 619112881 /nfs/dbraw/zinc/11/28/81/619112881.db2.gz ZLKYBVJZCZYMBI-LBPRGKRZSA-N 1 0 253.342 1.912 20 10 CDCDRO COc1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c(O)c1OC ZINC000894974670 619172102 /nfs/dbraw/zinc/17/21/02/619172102.db2.gz JBBHBKSZUYKGNF-NWDGAFQWSA-N 1 0 295.379 1.860 20 10 CDCDRO COC(=O)C1(C)C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895058553 619243471 /nfs/dbraw/zinc/24/34/71/619243471.db2.gz YZKKRDOTVJPMIT-UHFFFAOYSA-N 1 0 279.336 1.704 20 10 CDCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000895319923 619552183 /nfs/dbraw/zinc/55/21/83/619552183.db2.gz ZLOFMIZESSCOPA-HNNXBMFYSA-N 1 0 287.407 1.901 20 10 CDCDRO COCC1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000895970079 619928400 /nfs/dbraw/zinc/92/84/00/619928400.db2.gz BLYDHHWPDAATKG-UHFFFAOYSA-N 1 0 251.282 1.199 20 10 CDCDRO CCN1CC[C@H]1C[NH2+]Cc1c(O)cccc1OC ZINC000883361227 620023882 /nfs/dbraw/zinc/02/38/82/620023882.db2.gz WZETWFFGFYRCKJ-NSHDSACASA-N 1 0 250.342 1.585 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1=O ZINC000896728877 620213982 /nfs/dbraw/zinc/21/39/82/620213982.db2.gz HJCIMJYVSYYZLX-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1nn(C)cc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046285 621590341 /nfs/dbraw/zinc/59/03/41/621590341.db2.gz ZBUBQYOKDZFULP-MRXNPFEDSA-N 1 0 287.411 1.584 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1O ZINC000902626306 625052176 /nfs/dbraw/zinc/05/21/76/625052176.db2.gz UUDRNPCRGCKBQA-DZGCQCFKSA-N 1 0 293.363 1.699 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420937 626294775 /nfs/dbraw/zinc/29/47/75/626294775.db2.gz JHAMTGHHDRZCHO-GXTWGEPZSA-N 1 0 276.380 1.832 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000793363692 1162414986 /nfs/dbraw/zinc/41/49/86/1162414986.db2.gz VELOZZLILZEFFW-LRDDRELGSA-N 1 0 293.363 1.781 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)C[C@@H]21 ZINC000793642287 1162436049 /nfs/dbraw/zinc/43/60/49/1162436049.db2.gz HYJKWSGZTACBQQ-FOLVSLTJSA-N 1 0 298.342 1.791 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](CO)C(C)C ZINC000808421400 1162851361 /nfs/dbraw/zinc/85/13/61/1162851361.db2.gz FQYMDAGVHYNZBK-NSHDSACASA-N 1 0 253.342 1.755 20 10 CDCDRO OC[C@]1([NH2+]Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC000393893326 1159508584 /nfs/dbraw/zinc/50/85/84/1159508584.db2.gz YVUFJXFUINHWLQ-MRXNPFEDSA-N 1 0 276.380 1.528 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000922939092 1161536105 /nfs/dbraw/zinc/53/61/05/1161536105.db2.gz LGGGJPVLCSIKNY-AWEZNQCLSA-N 1 0 281.352 1.686 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000863936907 1164495515 /nfs/dbraw/zinc/49/55/15/1164495515.db2.gz BHYGFOSKPMDRBM-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(C)cc1O ZINC000794811681 1164610474 /nfs/dbraw/zinc/61/04/74/1164610474.db2.gz XWCBFVLPBUYHAS-GXTWGEPZSA-N 1 0 266.385 1.664 20 10 CDCDRO COc1cccc(C[NH2+]C[C@]2(OC)CCOC2)c1O ZINC000122878991 1165127411 /nfs/dbraw/zinc/12/74/11/1165127411.db2.gz IBVAOBGLZRPKQM-CQSZACIVSA-N 1 0 267.325 1.296 20 10 CDCDRO C[C@H](CCO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877067223 1165969480 /nfs/dbraw/zinc/96/94/80/1165969480.db2.gz DLWDGMAZCABBAU-CQSZACIVSA-N 1 0 292.423 1.756 20 10 CDCDRO CN(CCC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000211460255 1166476905 /nfs/dbraw/zinc/47/69/05/1166476905.db2.gz LSCGJLIWXRBBIE-UHFFFAOYSA-N 1 0 266.341 1.504 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC3(CCN3C)C2)c(O)c1 ZINC001275584539 1166689583 /nfs/dbraw/zinc/68/95/83/1166689583.db2.gz DLCKYGLPUKWNDJ-UHFFFAOYSA-N 1 0 261.369 1.348 20 10 CDCDRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126285370 1175450570 /nfs/dbraw/zinc/45/05/70/1175450570.db2.gz NOKCXRSMVPWCTN-UHFFFAOYSA-N 1 0 278.352 1.654 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000219459251 1177901439 /nfs/dbraw/zinc/90/14/39/1177901439.db2.gz NPJFYGHLONHXGC-UHFFFAOYSA-N 1 0 296.436 1.811 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000160321437 1178392344 /nfs/dbraw/zinc/39/23/44/1178392344.db2.gz JFWSXUOVAVNYGV-AWEZNQCLSA-N 1 0 270.332 1.995 20 10 CDCDRO CC[C@@H](CNC(=O)COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001753464938 1185221189 /nfs/dbraw/zinc/22/11/89/1185221189.db2.gz URVIJXGOOZUITK-AWEZNQCLSA-N 1 0 294.395 1.634 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(CO)(CO)CC1 ZINC000877798103 1166103455 /nfs/dbraw/zinc/10/34/55/1166103455.db2.gz HINOGCPTPXVOIX-UHFFFAOYSA-N 1 0 265.353 1.267 20 10 CDCDRO C[C@@H](NC(=O)/C=C\CN1CCOCC1)c1ccccc1O ZINC000827947000 783680565 /nfs/dbraw/zinc/68/05/65/783680565.db2.gz XYKDHRFSVVKKIV-LLPBQKLSSA-N 1 0 290.363 1.458 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC2([NH3+])CCC2)c1 ZINC000828667664 783762454 /nfs/dbraw/zinc/76/24/54/783762454.db2.gz SXVWGMCFNRLKFI-JTQLQIEISA-N 1 0 278.352 1.850 20 10 CDCDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000827634624 783821984 /nfs/dbraw/zinc/82/19/84/783821984.db2.gz WMXJYGDVORLXRP-GFCCVEGCSA-N 1 0 292.354 1.976 20 10 CDCDRO CCOc1ccc(CN2C[C@@H](F)C[C@H]2C[NH2+]C)c(O)c1 ZINC000843121277 783829433 /nfs/dbraw/zinc/82/94/33/783829433.db2.gz BKCJUWSAUIOWEZ-STQMWFEESA-N 1 0 282.359 1.923 20 10 CDCDRO NC(=O)CC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000817411265 783869231 /nfs/dbraw/zinc/86/92/31/783869231.db2.gz OGTYCBYWZROJPZ-UHFFFAOYSA-N 1 0 260.337 1.367 20 10 CDCDRO Cc1ccc(C[N@H+]2CCN(C)C(=O)C2(C)C)c(O)c1 ZINC000876765430 783943816 /nfs/dbraw/zinc/94/38/16/783943816.db2.gz WSBDNPARYWUCDU-UHFFFAOYSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c(O)c1 ZINC000832178606 783980726 /nfs/dbraw/zinc/98/07/26/783980726.db2.gz TZNDFWZMJYFOSF-WFASDCNBSA-N 1 0 276.336 1.017 20 10 CDCDRO CC[NH2+]CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817942646 784003579 /nfs/dbraw/zinc/00/35/79/784003579.db2.gz BUHCPHWBGUBNSV-SNVBAGLBSA-N 1 0 267.329 1.951 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000821065614 784014905 /nfs/dbraw/zinc/01/49/05/784014905.db2.gz PSTRDBFZUJQUQJ-LLVKDONJSA-N 1 0 292.379 1.920 20 10 CDCDRO COc1c(O)c(C[NH2+]Cc2cncn2C)ccc1[N+](=O)[O-] ZINC000291562850 784031604 /nfs/dbraw/zinc/03/16/04/784031604.db2.gz NFFFLCZGCRVSTJ-UHFFFAOYSA-N 1 0 292.295 1.332 20 10 CDCDRO C[C@H](CCO)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000846111804 784065356 /nfs/dbraw/zinc/06/53/56/784065356.db2.gz RJXGUGXRTQADDL-SECBINFHSA-N 1 0 253.298 1.324 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH2+]C)cc1 ZINC000841719698 784076369 /nfs/dbraw/zinc/07/63/69/784076369.db2.gz OUVBNTFEZUDHLM-UHFFFAOYSA-N 1 0 292.427 1.894 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C)C2)cc1OC ZINC000776174701 784081288 /nfs/dbraw/zinc/08/12/88/784081288.db2.gz RVRQJNQOFZZUDI-LLVKDONJSA-N 1 0 266.341 1.203 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000841651844 784117958 /nfs/dbraw/zinc/11/79/58/784117958.db2.gz BJRCDSLIZIQHPY-UHFFFAOYSA-N 1 0 290.411 1.551 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841893438 784164745 /nfs/dbraw/zinc/16/47/45/784164745.db2.gz FBKODBXWSFMVPG-NSHDSACASA-N 1 0 286.322 1.830 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000877547071 784330026 /nfs/dbraw/zinc/33/00/26/784330026.db2.gz QEXNSQXUYKCRKX-LBPRGKRZSA-N 1 0 283.393 1.567 20 10 CDCDRO CCc1cccc(C[NH2+][C@]2(CC(=O)OC)CCOC2)c1O ZINC000848902673 784424542 /nfs/dbraw/zinc/42/45/42/784424542.db2.gz GFWQZHPPPISCMZ-INIZCTEOSA-N 1 0 293.363 1.766 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC(=O)CS3)C[C@@H]21 ZINC000834310448 784502524 /nfs/dbraw/zinc/50/25/24/784502524.db2.gz MVEHRMOIPWEKAC-SCZZXKLOSA-N 1 0 252.339 1.230 20 10 CDCDRO COc1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000702641463 784532752 /nfs/dbraw/zinc/53/27/52/784532752.db2.gz MMMZQYKSBOEZEQ-HNNXBMFYSA-N 1 0 264.369 1.160 20 10 CDCDRO C[C@@H]1C[NH+]=C(NCc2ccc(N3CCSCC3)cc2)N1 ZINC000848993545 784758873 /nfs/dbraw/zinc/75/88/73/784758873.db2.gz IOLLJXKHOZKQBF-GFCCVEGCSA-N 1 0 290.436 1.677 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)c2c1c(F)ccc2O ZINC000806659926 784805459 /nfs/dbraw/zinc/80/54/59/784805459.db2.gz KCWYHNSPJGKTOE-GZMMTYOYSA-N 1 0 276.315 1.998 20 10 CDCDRO CCN(CC)c1ccc(C[NH+](CCO)CCO)cc1 ZINC000862429451 784829918 /nfs/dbraw/zinc/82/99/18/784829918.db2.gz IHPTXKZPMDSQGP-UHFFFAOYSA-N 1 0 266.385 1.319 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000840178229 784845419 /nfs/dbraw/zinc/84/54/19/784845419.db2.gz NCYIOLJMQLVWSO-ZDUSSCGKSA-N 1 0 276.380 1.919 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000068258145 784848000 /nfs/dbraw/zinc/84/80/00/784848000.db2.gz HTBGHRINPXSCMZ-UHFFFAOYSA-N 1 0 262.353 1.580 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883144825 784868590 /nfs/dbraw/zinc/86/85/90/784868590.db2.gz BWFIYDGQILEWNG-QMMMGPOBSA-N 1 0 270.279 1.286 20 10 CDCDRO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000049084110 785083519 /nfs/dbraw/zinc/08/35/19/785083519.db2.gz WSRVRGNZUDLJHK-OAHLLOKOSA-N 1 0 275.396 1.317 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000876878506 785251233 /nfs/dbraw/zinc/25/12/33/785251233.db2.gz FAEJKQJWWNNQJL-ZJUUUORDSA-N 1 0 266.341 1.576 20 10 CDCDRO COCC[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000775034979 785325752 /nfs/dbraw/zinc/32/57/52/785325752.db2.gz VRMQEHIRNGXTOG-HNNXBMFYSA-N 1 0 295.335 1.406 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[S@@](C)=O ZINC000840938758 785346193 /nfs/dbraw/zinc/34/61/93/785346193.db2.gz GSLKAGLXTZSSIP-KPZWWZAWSA-N 1 0 268.426 1.918 20 10 CDCDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000308616711 785364777 /nfs/dbraw/zinc/36/47/77/785364777.db2.gz RGBRPNBRKBZKBL-UHFFFAOYSA-N 1 0 291.439 1.953 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882518 785382756 /nfs/dbraw/zinc/38/27/56/785382756.db2.gz JSNUMIRXZHPDSJ-RYUDHWBXSA-N 1 0 278.400 1.708 20 10 CDCDRO C[C@@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000844221127 785650350 /nfs/dbraw/zinc/65/03/50/785650350.db2.gz VZQXRHARQQFHGG-CYBMUJFWSA-N 1 0 263.385 1.302 20 10 CDCDRO CN(C)c1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000111796864 785674780 /nfs/dbraw/zinc/67/47/80/785674780.db2.gz AFZXZPCSQQSKSD-UHFFFAOYSA-N 1 0 291.395 1.137 20 10 CDCDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(C)cc1O)CC2 ZINC000877002913 785997620 /nfs/dbraw/zinc/99/76/20/785997620.db2.gz GFKVHLDEZSLSLN-CYBMUJFWSA-N 1 0 272.352 1.705 20 10 CDCDRO CCOC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819373931 786044833 /nfs/dbraw/zinc/04/48/33/786044833.db2.gz DZPNLZNWSGDIQU-YOEHRIQHSA-N 1 0 294.439 1.979 20 10 CDCDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000174637042 786051006 /nfs/dbraw/zinc/05/10/06/786051006.db2.gz UELWAAQETDHKAJ-UHFFFAOYSA-N 1 0 297.420 1.924 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000877022715 786074211 /nfs/dbraw/zinc/07/42/11/786074211.db2.gz QPNZZALTXCWWNW-KGLIPLIRSA-N 1 0 276.380 1.653 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[NH+](C)C)c1 ZINC000104900664 786083057 /nfs/dbraw/zinc/08/30/57/786083057.db2.gz UNYVYTGSXZUGTB-SECBINFHSA-N 1 0 252.314 1.140 20 10 CDCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778924219 786136399 /nfs/dbraw/zinc/13/63/99/786136399.db2.gz SZAPMKUPZICXNA-QWRGUYRKSA-N 1 0 278.352 1.587 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1OC ZINC000790936377 786231336 /nfs/dbraw/zinc/23/13/36/786231336.db2.gz FNJOCKQQTHFCFJ-CQSZACIVSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2(C)OCCO2)c1O ZINC000846159186 786297790 /nfs/dbraw/zinc/29/77/90/786297790.db2.gz NKGCZPBTZMWDCQ-JTQLQIEISA-N 1 0 267.325 1.814 20 10 CDCDRO COC(=O)c1cc(C[NH2+]Cc2cc(OC)ccc2O)on1 ZINC000877035279 786306729 /nfs/dbraw/zinc/30/67/29/786306729.db2.gz DHAJZSSZGAPYEK-UHFFFAOYSA-N 1 0 292.291 1.465 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709403 786323609 /nfs/dbraw/zinc/32/36/09/786323609.db2.gz FLTGYFYNDSWBEF-ZDUSSCGKSA-N 1 0 290.411 1.823 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(C)n2)c1 ZINC000213218323 786349999 /nfs/dbraw/zinc/34/99/99/786349999.db2.gz UFJUQLRDKWWXSQ-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000857304182 786371263 /nfs/dbraw/zinc/37/12/63/786371263.db2.gz XNIODYCCAJBGLW-SECBINFHSA-N 1 0 296.342 1.840 20 10 CDCDRO COc1cccc(C[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000922798670 786537883 /nfs/dbraw/zinc/53/78/83/786537883.db2.gz LHAXTQMUYJZBNE-UHFFFAOYSA-N 1 0 279.336 1.644 20 10 CDCDRO Oc1cc2c(cc1CNC[C@@H]1CCCC[NH2+]1)OCO2 ZINC000841032606 786591076 /nfs/dbraw/zinc/59/10/76/786591076.db2.gz HNNCPPVIYIBPOF-NSHDSACASA-N 1 0 264.325 1.353 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000158901417 786814945 /nfs/dbraw/zinc/81/49/45/786814945.db2.gz HPSRHDGBMWGMPJ-ZDUSSCGKSA-N 1 0 261.369 1.269 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000842913297 786819550 /nfs/dbraw/zinc/81/95/50/786819550.db2.gz YVRHBTBSAAWXIH-MPKXVKKWSA-N 1 0 251.326 1.765 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CO ZINC000249064803 786865063 /nfs/dbraw/zinc/86/50/63/786865063.db2.gz IKMCRKKKGMJBRZ-YOEHRIQHSA-N 1 0 290.407 1.726 20 10 CDCDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000040825905 786867960 /nfs/dbraw/zinc/86/79/60/786867960.db2.gz WJINDPKTDMHHLF-UHFFFAOYSA-N 1 0 263.385 1.757 20 10 CDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000831202849 786873822 /nfs/dbraw/zinc/87/38/22/786873822.db2.gz NIBCDIVNLNNFQN-MNOVXSKESA-N 1 0 265.357 1.659 20 10 CDCDRO CN1CC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000163887674 786964648 /nfs/dbraw/zinc/96/46/48/786964648.db2.gz VNCUTGCAGHONEO-NSHDSACASA-N 1 0 285.185 1.948 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000831132640 787056756 /nfs/dbraw/zinc/05/67/56/787056756.db2.gz FRSHOQCMDHBMNG-STQMWFEESA-N 1 0 292.427 1.986 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)N(C)Cc1ccccc1O ZINC000841962929 787098809 /nfs/dbraw/zinc/09/88/09/787098809.db2.gz MVHPPCNYUXYYCE-SNVBAGLBSA-N 1 0 251.330 1.128 20 10 CDCDRO C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877256539 787367736 /nfs/dbraw/zinc/36/77/36/787367736.db2.gz ZBWMRNHEGWNRKJ-VXGBXAGGSA-N 1 0 278.352 1.338 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CC(N)=O)c(O)c1 ZINC000788630083 787486569 /nfs/dbraw/zinc/48/65/69/787486569.db2.gz FKSUMLMDBRQWDW-QWRGUYRKSA-N 1 0 250.342 1.924 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000858586836 787578858 /nfs/dbraw/zinc/57/88/58/787578858.db2.gz LELOATDKSJEIFK-NWDGAFQWSA-N 1 0 279.384 1.812 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(F)ccc1O ZINC000843121327 787587056 /nfs/dbraw/zinc/58/70/56/787587056.db2.gz DJAKLUHBHXJRLD-RYUDHWBXSA-N 1 0 256.296 1.663 20 10 CDCDRO Cc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c(O)c1 ZINC000877652307 787603218 /nfs/dbraw/zinc/60/32/18/787603218.db2.gz UMQQUCDWEZTNJK-AWEZNQCLSA-N 1 0 291.395 1.130 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000818977068 787674646 /nfs/dbraw/zinc/67/46/46/787674646.db2.gz AALUMWVWKOQIEY-IYNGYCSASA-N 1 0 290.363 1.664 20 10 CDCDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816549635 787727264 /nfs/dbraw/zinc/72/72/64/787727264.db2.gz UMGLMBBUSRNOKK-MRXNPFEDSA-N 1 0 299.418 1.881 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841963102 787828274 /nfs/dbraw/zinc/82/82/74/787828274.db2.gz OWGJEDMCRDYMEQ-NSHDSACASA-N 1 0 291.395 1.665 20 10 CDCDRO C[C@@H](CCCCO)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817942572 787834612 /nfs/dbraw/zinc/83/46/12/787834612.db2.gz PPIPTBDQWJPRRF-XJKSGUPXSA-N 1 0 279.428 1.893 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C(=O)NC(C)C)c1 ZINC000228933901 787888467 /nfs/dbraw/zinc/88/84/67/787888467.db2.gz CUGUDPAYJAOKOV-LLVKDONJSA-N 1 0 250.342 1.703 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1O ZINC000858548858 787899819 /nfs/dbraw/zinc/89/98/19/787899819.db2.gz PWXHGOJUQSKOBQ-NWDGAFQWSA-N 1 0 250.342 1.109 20 10 CDCDRO COc1ccc2c(c1)CCCN2C[C@H](O)C[N@H+](C)C1CC1 ZINC000809934149 788008844 /nfs/dbraw/zinc/00/88/44/788008844.db2.gz JJKMDMMITXCSRD-OAHLLOKOSA-N 1 0 290.407 1.903 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000211560691 788161075 /nfs/dbraw/zinc/16/10/75/788161075.db2.gz WHVJFTZDNLXSMX-GFCCVEGCSA-N 1 0 276.336 1.207 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000072710822 788298403 /nfs/dbraw/zinc/29/84/03/788298403.db2.gz RGOFAWFTNVDWGK-MRXNPFEDSA-N 1 0 276.380 1.996 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCCO2)cc1 ZINC000832284583 788321977 /nfs/dbraw/zinc/32/19/77/788321977.db2.gz KUKSVHQXKDEVFR-HUUCEWRRSA-N 1 0 291.395 1.438 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000827000002 788376848 /nfs/dbraw/zinc/37/68/48/788376848.db2.gz GBDXVGYHLIJQPI-LBPRGKRZSA-N 1 0 292.335 1.427 20 10 CDCDRO OC/C=C/C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877625439 788398265 /nfs/dbraw/zinc/39/82/65/788398265.db2.gz YPYJACWZYCGJNU-OWOJBTEDSA-N 1 0 276.380 1.286 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnns2)cc1 ZINC000832272006 788693924 /nfs/dbraw/zinc/69/39/24/788693924.db2.gz BRYPZCXMXIHCJC-NSHDSACASA-N 1 0 291.380 1.034 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000877056730 788807194 /nfs/dbraw/zinc/80/71/94/788807194.db2.gz OKUQYAKSTQGBEE-NSHDSACASA-N 1 0 269.366 1.367 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(Cl)cc1O ZINC000841765270 788855045 /nfs/dbraw/zinc/85/50/45/788855045.db2.gz WYTLMGVPBKQZRF-GXSJLCMTSA-N 1 0 272.776 1.619 20 10 CDCDRO [NH3+]CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000841921615 788970754 /nfs/dbraw/zinc/97/07/54/788970754.db2.gz RVXBIIBREVYMRE-UHFFFAOYSA-N 1 0 289.335 1.656 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886503984 789002142 /nfs/dbraw/zinc/00/21/42/789002142.db2.gz MPSBDJJPBIUFBT-RYUDHWBXSA-N 1 0 282.359 1.903 20 10 CDCDRO CCc1cccc(C[NH2+]C2(CCO)CCOCC2)c1O ZINC000848890700 789008358 /nfs/dbraw/zinc/00/83/58/789008358.db2.gz KDWKNLNEXQGFKY-UHFFFAOYSA-N 1 0 279.380 1.976 20 10 CDCDRO COc1c([O-])c(C[NH2+]C[C@]2(C)CCCO2)ccc1[N+](=O)[O-] ZINC000775038511 789009942 /nfs/dbraw/zinc/00/99/42/789009942.db2.gz TUYICBAQHNEJAK-AWEZNQCLSA-N 1 0 296.323 1.968 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000182447125 789010602 /nfs/dbraw/zinc/01/06/02/789010602.db2.gz LAZHNNWFVCVNIV-NWDGAFQWSA-N 1 0 291.351 1.309 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000019516623 789054465 /nfs/dbraw/zinc/05/44/65/789054465.db2.gz JCLIPRILAXBIRV-OAHLLOKOSA-N 1 0 291.395 1.327 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758432 789157079 /nfs/dbraw/zinc/15/70/79/789157079.db2.gz HKYYVECWKUWATH-UHFFFAOYSA-N 1 0 290.411 1.478 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000851682941 789238343 /nfs/dbraw/zinc/23/83/43/789238343.db2.gz XBFBJYBISJTMEC-NSHDSACASA-N 1 0 291.395 1.678 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000825567542 789273985 /nfs/dbraw/zinc/27/39/85/789273985.db2.gz BSPZLDDOQIHHNS-SECBINFHSA-N 1 0 284.331 1.697 20 10 CDCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942453 789288167 /nfs/dbraw/zinc/28/81/67/789288167.db2.gz OXKQUZFLSZGXHP-WBMJQRKESA-N 1 0 287.411 1.837 20 10 CDCDRO CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccc(N)cc1 ZINC000877074433 789300382 /nfs/dbraw/zinc/30/03/82/789300382.db2.gz KHNSPTHLGYDHNJ-ZFWWWQNUSA-N 1 0 259.353 1.621 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c(O)c1 ZINC000710879031 789301324 /nfs/dbraw/zinc/30/13/24/789301324.db2.gz OZGQVMSZGSQXTE-RAIGVLPGSA-N 1 0 251.326 1.501 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000704378178 789322733 /nfs/dbraw/zinc/32/27/33/789322733.db2.gz WIQWIQWOZGPTME-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c(O)c1 ZINC000876974423 789398198 /nfs/dbraw/zinc/39/81/98/789398198.db2.gz HBGQFWLIVHAHDK-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCCN(CCCO)C2)c1O ZINC000848913734 789412384 /nfs/dbraw/zinc/41/23/84/789412384.db2.gz COQHYGAMUZFTKN-INIZCTEOSA-N 1 0 292.423 1.891 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000877485145 789479121 /nfs/dbraw/zinc/47/91/21/789479121.db2.gz MAMRMMVXGCCAGX-CQSZACIVSA-N 1 0 278.396 1.853 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000840929302 789716637 /nfs/dbraw/zinc/71/66/37/789716637.db2.gz BRAPIGCWHQSAHJ-HNNXBMFYSA-N 1 0 291.439 1.871 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](CO)C2)cc1F ZINC000862237746 789764491 /nfs/dbraw/zinc/76/44/91/789764491.db2.gz VLUMGRCELUQWNO-JTQLQIEISA-N 1 0 270.323 1.845 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H]3COC[C@@H]3O)CC2)cc1 ZINC000865666146 789772037 /nfs/dbraw/zinc/77/20/37/789772037.db2.gz KSOQNKLUUXKUAC-CVEARBPZSA-N 1 0 292.379 1.013 20 10 CDCDRO CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000873217395 789787062 /nfs/dbraw/zinc/78/70/62/789787062.db2.gz LIVCLKQWZRHTIX-BETUJISGSA-N 1 0 262.353 1.727 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000828667093 789802496 /nfs/dbraw/zinc/80/24/96/789802496.db2.gz MUWMLNYRALWRCD-UTLUCORTSA-N 1 0 266.341 1.561 20 10 CDCDRO Cc1cc(C[NH2+][C@H](CO)C2CCOCC2)ccc1N(C)C ZINC000815092098 789835396 /nfs/dbraw/zinc/83/53/96/789835396.db2.gz WWBCKGOXLCCEEC-MRXNPFEDSA-N 1 0 292.423 1.938 20 10 CDCDRO Oc1ccc(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)c(O)c1 ZINC001173741315 912771849 /nfs/dbraw/zinc/77/18/49/912771849.db2.gz WLQFBCKWHZXANJ-NWDGAFQWSA-N 1 0 289.339 1.358 20 10 CDCDRO N[C@@]1(C(F)(F)F)CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001206245709 913536891 /nfs/dbraw/zinc/53/68/91/913536891.db2.gz XVJVNPRGLYXEMP-NSHDSACASA-N 1 0 292.257 1.269 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1 ZINC001272622603 914202067 /nfs/dbraw/zinc/20/20/67/914202067.db2.gz PDSXXHSNPJAYSV-MRXNPFEDSA-N 1 0 274.364 1.755 20 10 CDCDRO COc1ccc(N2CC[NH+](CC[C@@H](C)O)CC2)cc1F ZINC000828031931 904632559 /nfs/dbraw/zinc/63/25/59/904632559.db2.gz REEVFJSMEYVROJ-GFCCVEGCSA-N 1 0 282.359 1.727 20 10 CDCDRO CN1CCOc2cc(CN3CC[C@](C)([NH3+])C3)ccc21 ZINC001204782473 906378446 /nfs/dbraw/zinc/37/84/46/906378446.db2.gz FNHHXMXHBDJNDC-HNNXBMFYSA-N 1 0 261.369 1.438 20 10 CDCDRO [NH3+][C@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1F ZINC001204820006 907453125 /nfs/dbraw/zinc/45/31/25/907453125.db2.gz MKDAFBMKXCXNNJ-CABCVRRESA-N 1 0 263.360 1.768 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000842005688 908860417 /nfs/dbraw/zinc/86/04/17/908860417.db2.gz JMJOSTDDWSMPPG-NXEZZACHSA-N 1 0 281.356 1.498 20 10 CDCDRO C[NH2+]C1CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001204714794 909576689 /nfs/dbraw/zinc/57/66/89/909576689.db2.gz VROCPYZYHVTCEO-UHFFFAOYSA-N 1 0 274.364 1.980 20 10 CDCDRO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000164303652 911353064 /nfs/dbraw/zinc/35/30/64/911353064.db2.gz AXTYRSCQFNNXKI-ZDUSSCGKSA-N 1 0 262.353 1.719 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@]1(C)O ZINC001204275702 916503946 /nfs/dbraw/zinc/50/39/46/916503946.db2.gz AAGLTAIDMOBYCJ-HZMBPMFUSA-N 1 0 251.326 1.691 20 10 CDCDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C ZINC001151037918 917081536 /nfs/dbraw/zinc/08/15/36/917081536.db2.gz ADPJOMYAEWJSPA-NSHDSACASA-N 1 0 278.352 1.193 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c1O ZINC001203585662 919105303 /nfs/dbraw/zinc/10/53/03/919105303.db2.gz ROANJRAWUQCUSZ-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cc(CN2CCO[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139254290 936611999 /nfs/dbraw/zinc/61/19/99/936611999.db2.gz FRQVQUPDOYUNSO-GFCCVEGCSA-N 1 0 294.395 1.683 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH2+]C(C)(C)C ZINC001116669871 920046638 /nfs/dbraw/zinc/04/66/38/920046638.db2.gz MFTHRXSAZVTPIR-SNVBAGLBSA-N 1 0 280.368 1.533 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c1 ZINC001140620730 936732011 /nfs/dbraw/zinc/73/20/11/936732011.db2.gz ZKAKACIQCTZXTI-FOLVSLTJSA-N 1 0 288.391 1.903 20 10 CDCDRO Cc1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000700922115 922305267 /nfs/dbraw/zinc/30/52/67/922305267.db2.gz BLSCJEZAHIEKFV-UHFFFAOYSA-N 1 0 258.325 1.790 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CO)C2)c(OC)c1 ZINC001141031318 936795269 /nfs/dbraw/zinc/79/52/69/936795269.db2.gz CTPWPYZFCQEKBY-NSHDSACASA-N 1 0 281.352 1.614 20 10 CDCDRO Oc1ccc(O)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC001141158826 936822565 /nfs/dbraw/zinc/82/25/65/936822565.db2.gz OICDSRBGJYVELW-HNNXBMFYSA-N 1 0 292.379 1.394 20 10 CDCDRO Oc1ccc(O)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC001141158176 936822053 /nfs/dbraw/zinc/82/20/53/936822053.db2.gz VLAQZRMIAKVGIM-UHFFFAOYSA-N 1 0 265.309 1.437 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CC12CC2 ZINC001141163132 936823589 /nfs/dbraw/zinc/82/35/89/936823589.db2.gz QILJAKJHQHKMBJ-LBPRGKRZSA-N 1 0 277.320 1.483 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1COCCO1 ZINC000840929153 936968509 /nfs/dbraw/zinc/96/85/09/936968509.db2.gz HWIBKFFIZZNTFQ-HNNXBMFYSA-N 1 0 264.369 1.566 20 10 CDCDRO COc1ccc(O)c(CN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000841085426 936975344 /nfs/dbraw/zinc/97/53/44/936975344.db2.gz CDJQFEYKDUADEL-CYBMUJFWSA-N 1 0 250.342 1.631 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[NH+]2CCC1CC2 ZINC001142526891 937027692 /nfs/dbraw/zinc/02/76/92/937027692.db2.gz AEMQBZQLIBNVNP-UHFFFAOYSA-N 1 0 268.307 1.950 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC001143103754 937120874 /nfs/dbraw/zinc/12/08/74/937120874.db2.gz JVLVXAQDSGFSDM-UKRRQHHQSA-N 1 0 293.407 1.865 20 10 CDCDRO O=S1(=O)CCN(c2ccc(-c3ncc[nH]3)cc2)CC1 ZINC001242018495 927284630 /nfs/dbraw/zinc/28/46/30/927284630.db2.gz IZVWCGXRJYOJPS-UHFFFAOYSA-N 1 0 277.349 1.312 20 10 CDCDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(N)cc2)C1 ZINC000843490981 937156361 /nfs/dbraw/zinc/15/63/61/937156361.db2.gz PGOZQDRVRFMKJZ-GOEBONIOSA-N 1 0 287.407 1.754 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001150120360 937218845 /nfs/dbraw/zinc/21/88/45/937218845.db2.gz WPWMTYBKTGPPST-GXFFZTMASA-N 1 0 290.363 1.239 20 10 CDCDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001169586194 928238569 /nfs/dbraw/zinc/23/85/69/928238569.db2.gz URNSBQVXNXDUJE-GFCCVEGCSA-N 1 0 264.325 1.198 20 10 CDCDRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000694592636 937259727 /nfs/dbraw/zinc/25/97/27/937259727.db2.gz ZTLCXOYKHXYDSE-GFCCVEGCSA-N 1 0 269.366 1.449 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1O ZINC000691439545 928634970 /nfs/dbraw/zinc/63/49/70/928634970.db2.gz ZHVPDSLWVAPNLX-IAQYHMDHSA-N 1 0 265.353 1.584 20 10 CDCDRO CCN(CC[NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861570937 929308175 /nfs/dbraw/zinc/30/81/75/929308175.db2.gz QPVBUYYHCQOCHB-UHFFFAOYSA-N 1 0 282.363 1.382 20 10 CDCDRO CN(C)c1cc(F)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000862253162 929394648 /nfs/dbraw/zinc/39/46/48/929394648.db2.gz LQISFTGACUQTIF-VXGBXAGGSA-N 1 0 281.350 1.682 20 10 CDCDRO C[C@@H]1CC[N@H+](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001152574563 937372758 /nfs/dbraw/zinc/37/27/58/937372758.db2.gz YIDSVLWWCXZIEU-LLVKDONJSA-N 1 0 260.337 1.576 20 10 CDCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193825 930476641 /nfs/dbraw/zinc/47/66/41/930476641.db2.gz QOQIYRLJDMVRQO-OAHLLOKOSA-N 1 0 291.395 1.267 20 10 CDCDRO CC[C@H]([NH2+]CCNCCOC)c1ccccc1O ZINC000817964792 930646082 /nfs/dbraw/zinc/64/60/82/930646082.db2.gz IYYCRTZDRMPIPG-ZDUSSCGKSA-N 1 0 252.358 1.669 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/nfs/dbraw/zinc/92/14/28/944921428.db2.gz PXKYLINQJSPEPD-GFCCVEGCSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(N2CCN([C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001255432911 947882514 /nfs/dbraw/zinc/88/25/14/947882514.db2.gz VXHORUSDCIHRTO-HNNXBMFYSA-N 1 0 275.396 1.521 20 10 CDCDRO COC1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001255448649 947910530 /nfs/dbraw/zinc/91/05/30/947910530.db2.gz ZXMXCNZQNQZKAL-UHFFFAOYSA-N 1 0 281.352 1.893 20 10 CDCDRO C[C@H]1CC[C@H](NCCc2cc(O)c(O)cc2O)C[NH2+]1 ZINC001246210166 948028817 /nfs/dbraw/zinc/02/88/17/948028817.db2.gz CGDGRAIUQBQSHP-ONGXEEELSA-N 1 0 266.341 1.076 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+]C2CCC3(COC3)CC2)cc1O ZINC001257894338 948656378 /nfs/dbraw/zinc/65/63/78/948656378.db2.gz PTQUZFAWMDOODW-OAHLLOKOSA-N 1 0 293.363 1.680 20 10 CDCDRO CCOC(=O)CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258473893 948862775 /nfs/dbraw/zinc/86/27/75/948862775.db2.gz YPBNKQZAXFPTPT-IINYFYTJSA-N 1 0 297.351 1.453 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001249173765 949443537 /nfs/dbraw/zinc/44/35/37/949443537.db2.gz VTIGTUFGRCABJW-UHFFFAOYSA-N 1 0 291.347 1.064 20 10 CDCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001325843759 954099962 /nfs/dbraw/zinc/09/99/62/954099962.db2.gz HDCCMMQYNYVKRQ-VXGBXAGGSA-N 1 0 296.386 1.646 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC001326132838 954229916 /nfs/dbraw/zinc/22/99/16/954229916.db2.gz LTMCZZZBEDFXPH-CYBMUJFWSA-N 1 0 292.427 1.858 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c(O)c1 ZINC001308689529 956562688 /nfs/dbraw/zinc/56/26/88/956562688.db2.gz OPBCAJCIBOCNFN-CYBMUJFWSA-N 1 0 295.379 1.683 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2ccn(C)n2)cc1OC ZINC001308813065 956585596 /nfs/dbraw/zinc/58/55/96/956585596.db2.gz NTLMZJXMFQWOJF-JTQLQIEISA-N 1 0 291.351 1.994 20 10 CDCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001308822610 956586575 /nfs/dbraw/zinc/58/65/75/956586575.db2.gz HGRWULKFMUQSSN-ZBFHGGJFSA-N 1 0 279.380 1.691 20 10 CDCDRO C[C@@H](NCc1nnc2n1CCOC2)c1c(O)cccc1F ZINC001331229584 956902656 /nfs/dbraw/zinc/90/26/56/956902656.db2.gz LTYVEKWSMJYGAB-SECBINFHSA-N 1 0 292.314 1.504 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001331466518 957081947 /nfs/dbraw/zinc/08/19/47/957081947.db2.gz LUXPHWYEBCREAT-ZDUSSCGKSA-N 1 0 292.427 1.892 20 10 CDCDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(N)cc3)C2=O)n(C)n1 ZINC001336284717 960287821 /nfs/dbraw/zinc/28/78/21/960287821.db2.gz CCEOIOYCPRMGCS-AWEZNQCLSA-N 1 0 299.378 1.206 20 10 CDCDRO C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(N)cc2)[C@H]1C ZINC001337070858 960911973 /nfs/dbraw/zinc/91/19/73/960911973.db2.gz YHOWLGVGKILBPY-QWRGUYRKSA-N 1 0 262.357 1.161 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C)C(=O)O2)c1 ZINC001324266322 961274360 /nfs/dbraw/zinc/27/43/60/961274360.db2.gz KKVJFEDRLAKNBZ-GXSJLCMTSA-N 1 0 280.324 1.502 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C)C(=O)O2)c1 ZINC001324266323 961274383 /nfs/dbraw/zinc/27/43/83/961274383.db2.gz KKVJFEDRLAKNBZ-KOLCDFICSA-N 1 0 280.324 1.502 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC001337837745 961460101 /nfs/dbraw/zinc/46/01/01/961460101.db2.gz DMTXULIWKKKLCV-AWEZNQCLSA-N 1 0 274.368 1.305 20 10 CDCDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001343567884 964043623 /nfs/dbraw/zinc/04/36/23/964043623.db2.gz UIXBJIYUVXYQNV-ZFWWWQNUSA-N 1 0 261.369 1.793 20 10 CDCDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001353562127 968067173 /nfs/dbraw/zinc/06/71/73/968067173.db2.gz SYWNLJQGGWTCLR-IRXDYDNUSA-N 1 0 290.407 1.604 20 10 CDCDRO CCc1cccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)c1O ZINC000848909711 969348061 /nfs/dbraw/zinc/34/80/61/969348061.db2.gz ZZBKOYWKUACWQX-UHFFFAOYSA-N 1 0 298.408 1.124 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000092470844 342413145 /nfs/dbraw/zinc/41/31/45/342413145.db2.gz IPAOLGXINSQZSH-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO COC[C@@]1(C(=O)NCc2cccc(Cl)c2O)CC[NH2+]C1 ZINC001578976876 1172063761 /nfs/dbraw/zinc/06/37/61/1172063761.db2.gz LCDQOIGYHOQPBM-CQSZACIVSA-N 1 0 298.770 1.288 20 10 CDCDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180526085 357274645 /nfs/dbraw/zinc/27/46/45/357274645.db2.gz FSCOZWCDCMRCLJ-CYBMUJFWSA-N 1 0 295.379 1.886 20 10 CDCDRO Cc1cccc(C[N@@H+](C)CC2(O)CCOCC2)c1O ZINC000188845463 357944641 /nfs/dbraw/zinc/94/46/41/357944641.db2.gz QCSADYQCORFANF-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC(C)(C)CO)c1 ZINC000294769720 199174686 /nfs/dbraw/zinc/17/46/86/199174686.db2.gz KCVWZSBOTBWSMT-UHFFFAOYSA-N 1 0 253.342 1.899 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCCO1)OCO2 ZINC000042880565 358983863 /nfs/dbraw/zinc/98/38/63/358983863.db2.gz LYVIUYGEELDFLE-LLVKDONJSA-N 1 0 265.309 1.780 20 10 CDCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3ccccc3O)C2)cn1 ZINC000370902168 359105400 /nfs/dbraw/zinc/10/54/00/359105400.db2.gz AYYLDOGEIDRINZ-ZDUSSCGKSA-N 1 0 272.352 1.494 20 10 CDCDRO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc2c(c1)OCO2 ZINC000367773613 359314575 /nfs/dbraw/zinc/31/45/75/359314575.db2.gz SSEFLGOICFUYOF-OKILXGFUSA-N 1 0 290.363 1.715 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296880386 200023965 /nfs/dbraw/zinc/02/39/65/200023965.db2.gz OEJBZQZOXAAAQO-PWSUYJOCSA-N 1 0 283.393 1.792 20 10 CDCDRO O=C1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CN1C1CC1 ZINC000267751969 363890594 /nfs/dbraw/zinc/89/05/94/363890594.db2.gz MNCZZNIFBUPZGU-SECBINFHSA-N 1 0 280.755 1.899 20 10 CDCDRO CN(Cc1ccccc1O)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000302687520 364538033 /nfs/dbraw/zinc/53/80/33/364538033.db2.gz YPKHKUDKHMQIGC-UHFFFAOYSA-N 1 0 296.334 1.587 20 10 CDCDRO NC(=O)CCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000271247270 364977870 /nfs/dbraw/zinc/97/78/70/364977870.db2.gz CVXHQRIYEFQVNI-UHFFFAOYSA-N 1 0 262.353 1.870 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C[S@@](C)=O)c1 ZINC000168413692 364984748 /nfs/dbraw/zinc/98/47/48/364984748.db2.gz ZIKOZSZVSGDNLJ-XLFHBGCDSA-N 1 0 257.355 1.257 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)c1 ZINC000168867984 365008909 /nfs/dbraw/zinc/00/89/09/365008909.db2.gz CRCXFTRKWGOHBI-RAALSFIWSA-N 1 0 271.382 1.818 20 10 CDCDRO CC[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1O ZINC000183348494 365426975 /nfs/dbraw/zinc/42/69/75/365426975.db2.gz HIINIEIZAKCDQR-GFCCVEGCSA-N 1 0 286.397 1.372 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c(O)c1C ZINC000273612172 365514334 /nfs/dbraw/zinc/51/43/34/365514334.db2.gz WLIINLVSXIQXIO-CABCVRRESA-N 1 0 291.439 1.905 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273364277 365488526 /nfs/dbraw/zinc/48/85/26/365488526.db2.gz BBQTUSFAZCXCEH-WDEREUQCSA-N 1 0 276.340 1.732 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000273396513 365490941 /nfs/dbraw/zinc/49/09/41/365490941.db2.gz LEPCIOCWSFOWGG-CABCVRRESA-N 1 0 275.396 1.886 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273558568 365508541 /nfs/dbraw/zinc/50/85/41/365508541.db2.gz HNCUWXHGSMCPAL-VXGBXAGGSA-N 1 0 253.342 1.667 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273585228 365510084 /nfs/dbraw/zinc/51/00/84/365510084.db2.gz NRPXBRLNWNMIOJ-WCBMZHEXSA-N 1 0 259.733 1.704 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273585227 365510202 /nfs/dbraw/zinc/51/02/02/365510202.db2.gz NRPXBRLNWNMIOJ-SCZZXKLOSA-N 1 0 259.733 1.704 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1F ZINC000280122716 367268292 /nfs/dbraw/zinc/26/82/92/367268292.db2.gz BTSXLPMHMPSCHF-OAHLLOKOSA-N 1 0 279.359 1.589 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cc(OC)c(OC)cc1O ZINC000282779982 368033962 /nfs/dbraw/zinc/03/39/62/368033962.db2.gz QHPZGNWGGPCVHF-UHFFFAOYSA-N 1 0 299.367 1.240 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282829543 368057667 /nfs/dbraw/zinc/05/76/67/368057667.db2.gz ZFUJIODWZZBXGB-NSHDSACASA-N 1 0 267.348 1.316 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1 ZINC000298198629 372066737 /nfs/dbraw/zinc/06/67/37/372066737.db2.gz XRBXKIYJDFCEEO-UHFFFAOYSA-N 1 0 261.369 1.417 20 10 CDCDRO Nc1ccc(C[NH2+]CCNC(=O)c2cccs2)cc1 ZINC001580445670 1172438328 /nfs/dbraw/zinc/43/83/28/1172438328.db2.gz OSAQTNXNYBTSRQ-UHFFFAOYSA-N 1 0 275.377 1.850 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000296540044 378737836 /nfs/dbraw/zinc/73/78/36/378737836.db2.gz QWZBSWOEURSSRN-QWRGUYRKSA-N 1 0 286.397 1.371 20 10 CDCDRO C[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855908 390446291 /nfs/dbraw/zinc/44/62/91/390446291.db2.gz TUMDIHNOWHXYML-CYBMUJFWSA-N 1 0 275.396 1.983 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c1 ZINC000093756686 390904283 /nfs/dbraw/zinc/90/42/83/390904283.db2.gz BNYODNXLMDRLRF-UHFFFAOYSA-N 1 0 285.347 1.353 20 10 CDCDRO COCC1=CC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000185036092 397989222 /nfs/dbraw/zinc/98/92/22/397989222.db2.gz TUQVJIIZNZPYNO-UHFFFAOYSA-N 1 0 277.320 1.899 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)c1csc(CC[NH3+])n1 ZINC000090950598 260263890 /nfs/dbraw/zinc/26/38/90/260263890.db2.gz SOWHEMITKDEOLH-UHFFFAOYSA-N 1 0 291.376 1.622 20 10 CDCDRO CC[NH+](CC)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000154002097 261086687 /nfs/dbraw/zinc/08/66/87/261086687.db2.gz ZRYZVFCWOPHSAW-UHFFFAOYSA-N 1 0 266.341 1.098 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1F ZINC000166456916 261389733 /nfs/dbraw/zinc/38/97/33/261389733.db2.gz ALDLNHCJGIGFJW-GFCCVEGCSA-N 1 0 279.359 1.508 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH+](C)C)cc1F ZINC000170771877 261442555 /nfs/dbraw/zinc/44/25/55/261442555.db2.gz OPOBYWFLBOGPMA-UHFFFAOYSA-N 1 0 253.321 1.070 20 10 CDCDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000367700770 267110793 /nfs/dbraw/zinc/11/07/93/267110793.db2.gz CVHOCZOLJHFHCW-SECBINFHSA-N 1 0 252.289 1.229 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](n3cncn3)C1)OCO2 ZINC000368799470 267205919 /nfs/dbraw/zinc/20/59/19/267205919.db2.gz ITGIIUUCVCXPSA-NSHDSACASA-N 1 0 288.307 1.159 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000293510135 277242248 /nfs/dbraw/zinc/24/22/48/277242248.db2.gz OHIDBQLCQYOTOF-HNNXBMFYSA-N 1 0 275.396 1.771 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290206273 328258439 /nfs/dbraw/zinc/25/84/39/328258439.db2.gz VIGJZUIBYMSUJD-LBPRGKRZSA-N 1 0 283.393 1.615 20 10 CDCDRO Cc1cc(Cl)cc(CN2CCN3C(=O)OC[C@H]3C2)c1O ZINC000378440826 329050368 /nfs/dbraw/zinc/05/03/68/329050368.db2.gz CPGBKSAVYIUDEB-GFCCVEGCSA-N 1 0 296.754 1.990 20 10 CDCDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000263196332 330048563 /nfs/dbraw/zinc/04/85/63/330048563.db2.gz IKTHLFWXDNJFDT-GOEBONIOSA-N 1 0 275.396 1.835 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1cc(Cl)cc(OC)c1O)OC ZINC000230935750 333322709 /nfs/dbraw/zinc/32/27/09/333322709.db2.gz ROLOOMYBRWWKCK-LLVKDONJSA-N 1 0 289.759 1.805 20 10 CDCDRO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCO)c1O ZINC000050134645 518278587 /nfs/dbraw/zinc/27/85/87/518278587.db2.gz SNXMNBVYPRKJBJ-UHFFFAOYSA-N 1 0 257.717 1.672 20 10 CDCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000279880705 519539292 /nfs/dbraw/zinc/53/92/92/519539292.db2.gz UOJRUIUJNWOURE-HNNXBMFYSA-N 1 0 288.391 1.970 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H](COC)OC)c1O ZINC000227705006 521365261 /nfs/dbraw/zinc/36/52/61/521365261.db2.gz ARZLFAYLYZVTRG-GFCCVEGCSA-N 1 0 269.341 1.542 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000278634198 521653287 /nfs/dbraw/zinc/65/32/87/521653287.db2.gz IKDLHKCRUYCWSV-UHFFFAOYSA-N 1 0 269.316 1.551 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(C)cc1O ZINC000280130281 522854752 /nfs/dbraw/zinc/85/47/52/522854752.db2.gz OXYUAJPUBJPOIO-GDBMZVCRSA-N 1 0 291.439 1.987 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280910573 523383984 /nfs/dbraw/zinc/38/39/84/523383984.db2.gz SBFDWXGALBPHAG-CJNGLKHVSA-N 1 0 274.364 1.740 20 10 CDCDRO Cc1cccc(C[NH2+]CCC2(O)CCOCC2)c1O ZINC000289657805 524432530 /nfs/dbraw/zinc/43/25/30/524432530.db2.gz YJKXCRRTPVTJGJ-UHFFFAOYSA-N 1 0 265.353 1.722 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)OCCO)c1 ZINC000290230871 524749176 /nfs/dbraw/zinc/74/91/76/524749176.db2.gz SUGLVPDLJAHWQM-UHFFFAOYSA-N 1 0 269.341 1.278 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCN2CCCOCC2)c1 ZINC000289409432 524750653 /nfs/dbraw/zinc/75/06/53/524750653.db2.gz HQUOZJJWPYYSEF-UHFFFAOYSA-N 1 0 280.368 1.213 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000081901612 524837729 /nfs/dbraw/zinc/83/77/29/524837729.db2.gz WJXAUZNSWVLDRW-LBPRGKRZSA-N 1 0 296.436 1.592 20 10 CDCDRO COc1cccc(C[NH2+]Cc2c(C)cnn2C)c1O ZINC000289400922 526023400 /nfs/dbraw/zinc/02/34/00/526023400.db2.gz GNGPRXGLPWQRCY-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO C[NH+]1CCC(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000732283454 575086761 /nfs/dbraw/zinc/08/67/61/575086761.db2.gz JCMCBTQCZMKGST-UHFFFAOYSA-N 1 0 254.355 1.525 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1F ZINC000734163181 575161091 /nfs/dbraw/zinc/16/10/91/575161091.db2.gz BKPUSOVCKZSEDC-ZDUSSCGKSA-N 1 0 252.333 1.752 20 10 CDCDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1=CC(=O)CS1 ZINC000771040763 575536843 /nfs/dbraw/zinc/53/68/43/575536843.db2.gz SMSYYXDNASSXDZ-NSHDSACASA-N 1 0 296.392 1.437 20 10 CDCDRO CC[N@H+](CC(=O)NC)Cc1cc(C)c(C)cc1O ZINC000768301685 576269186 /nfs/dbraw/zinc/26/91/86/576269186.db2.gz HWESAEGOAMLZAQ-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO COc1cccc(O)c1CN1CC[NH2+]C(C)(C)C1 ZINC000769191816 576336942 /nfs/dbraw/zinc/33/69/42/576336942.db2.gz NSWXQRSGWMYJDI-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c2c1c(F)ccc2O ZINC000756552218 576995106 /nfs/dbraw/zinc/99/51/06/576995106.db2.gz DCVTZKMJSRBXHG-CKYFFXLPSA-N 1 0 282.359 1.592 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Cl)ccc1O ZINC000756554886 576995453 /nfs/dbraw/zinc/99/54/53/576995453.db2.gz JVKLLICYMFTDSO-MWLCHTKSSA-N 1 0 272.776 1.619 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892018910 617412914 /nfs/dbraw/zinc/41/29/14/617412914.db2.gz OCCQTQFBSJHKBK-LBPRGKRZSA-N 1 0 263.341 1.401 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000892017584 617413937 /nfs/dbraw/zinc/41/39/37/617413937.db2.gz WDKDGOLEVIVMIC-MNOVXSKESA-N 1 0 263.341 1.504 20 10 CDCDRO Nc1ccc(CCNC(=O)NC2(C[NH3+])CCCCC2)cc1 ZINC000892039114 617434295 /nfs/dbraw/zinc/43/42/95/617434295.db2.gz PEXZGSHBNUMZIP-UHFFFAOYSA-N 1 0 290.411 1.772 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892057446 617448184 /nfs/dbraw/zinc/44/81/84/617448184.db2.gz ZVYALMQUWNUCOK-ZJUUUORDSA-N 1 0 251.330 1.490 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC000892098323 617479955 /nfs/dbraw/zinc/47/99/55/617479955.db2.gz ZSZGUEZAQKWUCE-PWSUYJOCSA-N 1 0 275.352 1.558 20 10 CDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000892199295 617546232 /nfs/dbraw/zinc/54/62/32/617546232.db2.gz LXCGSUPDZOVKKK-NXEZZACHSA-N 1 0 263.341 1.543 20 10 CDCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000892737946 617683293 /nfs/dbraw/zinc/68/32/93/617683293.db2.gz PLVWJKJROUMGBH-SNVBAGLBSA-N 1 0 268.332 1.933 20 10 CDCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccccc2O)CC1 ZINC000892444932 618210053 /nfs/dbraw/zinc/21/00/53/618210053.db2.gz KKVNMXDPHVGUIA-AULYBMBSSA-N 1 0 277.368 1.709 20 10 CDCDRO [NH3+]CC12CCC(CC1)N2C(=O)NCc1ccccc1O ZINC000892463648 618227768 /nfs/dbraw/zinc/22/77/68/618227768.db2.gz MQIYJXUKJHIZEW-UHFFFAOYSA-N 1 0 275.352 1.558 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@@H]1O ZINC000894094704 618383296 /nfs/dbraw/zinc/38/32/96/618383296.db2.gz LTXMJYVAZAOOJZ-AAEUAGOBSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)c1O ZINC000894287697 618487815 /nfs/dbraw/zinc/48/78/15/618487815.db2.gz JQYVXBVYHQNCCR-AAEUAGOBSA-N 1 0 292.379 1.843 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCO2)c1O ZINC000894146754 618627376 /nfs/dbraw/zinc/62/73/76/618627376.db2.gz VYVVSVSQNDODCP-GFCCVEGCSA-N 1 0 251.326 1.978 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cncs2)cc1 ZINC000841043578 618678042 /nfs/dbraw/zinc/67/80/42/618678042.db2.gz PKRZCMCVZBDSRW-CQSZACIVSA-N 1 0 276.409 1.999 20 10 CDCDRO Oc1ccc(Br)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000841043905 618678459 /nfs/dbraw/zinc/67/84/59/618678459.db2.gz YZYXHDGQMRJUIP-LLVKDONJSA-N 1 0 285.185 1.996 20 10 CDCDRO C[C@@H](C[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841064562 618679428 /nfs/dbraw/zinc/67/94/28/618679428.db2.gz YPYMNDHZEIZPGO-NSHDSACASA-N 1 0 267.348 1.099 20 10 CDCDRO COc1c([O-])c(C[NH2+]C2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841065328 618679561 /nfs/dbraw/zinc/67/95/61/618679561.db2.gz NXTCGVFQQWOEAU-UHFFFAOYSA-N 1 0 295.339 1.541 20 10 CDCDRO CC[C@@H]([NH3+])CNCc1ccc(N2CCOCC2)cc1 ZINC000841070341 618681785 /nfs/dbraw/zinc/68/17/85/618681785.db2.gz PPHOVEUQFQLSHW-CQSZACIVSA-N 1 0 263.385 1.350 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCNc2cnccn2)c1O ZINC000894330437 618781334 /nfs/dbraw/zinc/78/13/34/618781334.db2.gz NHALJAVARIWEDH-UHFFFAOYSA-N 1 0 288.351 1.701 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)C(=O)N(C)C)c1O ZINC000894394170 618850354 /nfs/dbraw/zinc/85/03/54/618850354.db2.gz UMPNTQVWCMULEY-SNVBAGLBSA-N 1 0 266.341 1.276 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000894453303 618894420 /nfs/dbraw/zinc/89/44/20/618894420.db2.gz OCNSUYCMGNAMMT-WYRIXSBYSA-N 1 0 285.409 1.908 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C2(C)CN(C(=O)OC)C2)c1 ZINC000894542538 618952510 /nfs/dbraw/zinc/95/25/10/618952510.db2.gz MNLLJLDKGCFTQA-UHFFFAOYSA-N 1 0 294.351 1.721 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000895749640 619825952 /nfs/dbraw/zinc/82/59/52/619825952.db2.gz UOQYBWLUBPAVHP-STQMWFEESA-N 1 0 265.353 1.720 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(C)c1O ZINC000896622979 620170708 /nfs/dbraw/zinc/17/07/08/620170708.db2.gz XQEWISIAQWHSAI-HNNXBMFYSA-N 1 0 278.396 1.901 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC)CCC(=O)NC)c1 ZINC000897709654 621083132 /nfs/dbraw/zinc/08/31/32/621083132.db2.gz IOSIZLJQDCVMBS-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)c1O ZINC000903316046 625970341 /nfs/dbraw/zinc/97/03/41/625970341.db2.gz MFMMSGLJHRTKIM-MNOVXSKESA-N 1 0 250.342 1.756 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CCCON)cc1 ZINC000904456642 626301266 /nfs/dbraw/zinc/30/12/66/626301266.db2.gz JZEYKOVDJLDTHB-UHFFFAOYSA-N 1 0 251.374 1.903 20 10 CDCDRO CCOc1cccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000156393925 630553337 /nfs/dbraw/zinc/55/33/37/630553337.db2.gz IAKWVHRIEWHOCA-BXUZGUMPSA-N 1 0 280.368 1.339 20 10 CDCDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000157653659 630605162 /nfs/dbraw/zinc/60/51/62/630605162.db2.gz XSHJAASMKGMOFY-HNNXBMFYSA-N 1 0 262.353 1.090 20 10 CDCDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001170163026 1162262440 /nfs/dbraw/zinc/26/24/40/1162262440.db2.gz WSIZVQMDSJRUJZ-ZOWXZIJZSA-N 1 0 281.352 1.678 20 10 CDCDRO COCCN(CC(=O)OC)Cc1c(C)cccc1O ZINC000876738260 1165906143 /nfs/dbraw/zinc/90/61/43/1165906143.db2.gz ZUGHAGWUDXRHBZ-UHFFFAOYSA-N 1 0 267.325 1.322 20 10 CDCDRO CN1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877019102 1165960496 /nfs/dbraw/zinc/96/04/96/1165960496.db2.gz GOARLHKLTWSWGJ-HNNXBMFYSA-N 1 0 289.423 1.441 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCNC(=O)C(C)C ZINC000877120682 1165978616 /nfs/dbraw/zinc/97/86/16/1165978616.db2.gz MJNYCAFEUGQSLO-UHFFFAOYSA-N 1 0 264.369 1.953 20 10 CDCDRO Cc1ccc(C(=O)NCCC(C)(C)[NH3+])c(O)c1O ZINC001579661991 1172235911 /nfs/dbraw/zinc/23/59/11/1172235911.db2.gz BNOWNAJAOFIHBR-UHFFFAOYSA-N 1 0 252.314 1.263 20 10 CDCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1O ZINC001580886031 1172564332 /nfs/dbraw/zinc/56/43/32/1172564332.db2.gz VNZVIIHEEABZHQ-GHMZBOCLSA-N 1 0 291.178 1.511 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1O ZINC000124860283 1175336693 /nfs/dbraw/zinc/33/66/93/1175336693.db2.gz FZEYJCBKBBEUJK-LBPRGKRZSA-N 1 0 269.366 1.367 20 10 CDCDRO OC[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000877780345 790283899 /nfs/dbraw/zinc/28/38/99/790283899.db2.gz NKWJALASYRFCGY-LLVKDONJSA-N 1 0 273.785 1.955 20 10 CDCDRO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(C(=O)[O-])ccc1O ZINC001609780077 1165078624 /nfs/dbraw/zinc/07/86/24/1165078624.db2.gz SLBCWXKANRHZMR-SECBINFHSA-N 1 0 264.325 1.622 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000877022716 1165959737 /nfs/dbraw/zinc/95/97/37/1165959737.db2.gz QPNZZALTXCWWNW-UONOGXRCSA-N 1 0 276.380 1.653 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(C)cccc1O ZINC000877119153 790373002 /nfs/dbraw/zinc/37/30/02/790373002.db2.gz BSHVCVTZCQJGGI-DGCLKSJQSA-N 1 0 262.353 1.705 20 10 CDCDRO CC[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C ZINC000779542256 790562206 /nfs/dbraw/zinc/56/22/06/790562206.db2.gz OBMMSNUZEMBFBU-PZBABLGHSA-N 1 0 290.363 1.664 20 10 CDCDRO CCOC(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000052710498 790769807 /nfs/dbraw/zinc/76/98/07/790769807.db2.gz XRSASRIZWFHEGX-UHFFFAOYSA-N 1 0 292.379 1.770 20 10 CDCDRO C[C@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2O)c2c1c(F)ccc2O ZINC000834897964 790865342 /nfs/dbraw/zinc/86/53/42/790865342.db2.gz XSULCXBUFYLBEX-QAHWYCSRSA-N 1 0 267.300 1.429 20 10 CDCDRO COCC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007168 790879073 /nfs/dbraw/zinc/87/90/73/790879073.db2.gz JIIVRMAUHKKHQR-UHFFFAOYSA-N 1 0 275.352 1.676 20 10 CDCDRO CCN(CC)C(=[NH2+])NCc1ccc(OC)cc1O ZINC000849024870 790891345 /nfs/dbraw/zinc/89/13/45/790891345.db2.gz CXOJZLSHUGYFNU-UHFFFAOYSA-N 1 0 251.330 1.767 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000037138313 790896909 /nfs/dbraw/zinc/89/69/09/790896909.db2.gz JHSIFYKMDDRJON-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1C ZINC000825279108 790898483 /nfs/dbraw/zinc/89/84/83/790898483.db2.gz OEVCGCAFJJMRPH-QWHCGFSZSA-N 1 0 262.353 1.747 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817944632 789894053 /nfs/dbraw/zinc/89/40/53/789894053.db2.gz IPGBIGCESCJBHD-AWEZNQCLSA-N 1 0 281.375 1.477 20 10 CDCDRO CN(C)c1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000381306124 789978937 /nfs/dbraw/zinc/97/89/37/789978937.db2.gz OITSLYAJKJYMNF-XSIBGMEISA-N 1 0 271.408 1.839 20 10 CDCDRO Cc1cccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056972 790011491 /nfs/dbraw/zinc/01/14/91/790011491.db2.gz DKKYUYPTCPOFSA-YPMHNXCESA-N 1 0 250.342 1.249 20 10 CDCDRO CC(C)(CO)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877116983 790022605 /nfs/dbraw/zinc/02/26/05/790022605.db2.gz FFEOWTBHRFBPPV-UHFFFAOYSA-N 1 0 292.423 1.756 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@H]2CCOC2)c(O)c1 ZINC000230163422 790079673 /nfs/dbraw/zinc/07/96/73/790079673.db2.gz CDGHIYUFGGEAQN-NSHDSACASA-N 1 0 251.326 1.917 20 10 CDCDRO C[NH2+]C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843052930 790086908 /nfs/dbraw/zinc/08/69/08/790086908.db2.gz PCJILNSGNGNINW-SNVBAGLBSA-N 1 0 264.325 1.162 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(OC)ccc1O ZINC000133064183 790095256 /nfs/dbraw/zinc/09/52/56/790095256.db2.gz DQARJXUDBGXNCF-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000083552733 790252351 /nfs/dbraw/zinc/25/23/51/790252351.db2.gz YVWWAUABLPBKCO-MRVPVSSYSA-N 1 0 277.773 1.568 20 10 CDCDRO C[C@H](NC(=O)N(C)CC[NH3+])c1ccc(N(C)C)cc1 ZINC000841882174 791171776 /nfs/dbraw/zinc/17/17/76/791171776.db2.gz XDTGVCNHOTXDOU-NSHDSACASA-N 1 0 264.373 1.414 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848411831 791309960 /nfs/dbraw/zinc/30/99/60/791309960.db2.gz CXUMMPJGNYQADX-STQMWFEESA-N 1 0 291.395 1.308 20 10 CDCDRO CCc1cccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c1O ZINC000848913290 791328265 /nfs/dbraw/zinc/32/82/65/791328265.db2.gz TTWYZPRBWDAFDP-WDNDVIMCSA-N 1 0 275.348 1.805 20 10 CDCDRO Oc1ccc(Br)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385289833 791332539 /nfs/dbraw/zinc/33/25/39/791332539.db2.gz CAVOFLAGTLTTSK-SKDRFNHKSA-N 1 0 297.196 1.948 20 10 CDCDRO [NH3+][C@H](C(=O)NCCCSc1nccs1)C1CCC1 ZINC000817939756 791496032 /nfs/dbraw/zinc/49/60/32/791496032.db2.gz BSBCNNLYNITEGY-JTQLQIEISA-N 1 0 285.438 1.869 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)C[NH3+])c1 ZINC000828667520 791558054 /nfs/dbraw/zinc/55/80/54/791558054.db2.gz RUIJAZGJDAJIBA-DTWKUNHWSA-N 1 0 252.314 1.173 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000841655661 791699427 /nfs/dbraw/zinc/69/94/27/791699427.db2.gz SYAMOEXUWCKLKK-UHFFFAOYSA-N 1 0 290.411 1.822 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)CCNC(C)=O)c1O ZINC000308196158 791787825 /nfs/dbraw/zinc/78/78/25/791787825.db2.gz RDMHXDDBKHAOEI-UHFFFAOYSA-N 1 0 286.759 1.622 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000840943345 791802514 /nfs/dbraw/zinc/80/25/14/791802514.db2.gz NWBTULULSWGHIQ-OAHLLOKOSA-N 1 0 266.360 1.967 20 10 CDCDRO O=c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c[nH]1 ZINC000392950651 791869388 /nfs/dbraw/zinc/86/93/88/791869388.db2.gz NTEILGUPIGQOKG-UHFFFAOYSA-N 1 0 299.374 1.914 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000865707665 791892355 /nfs/dbraw/zinc/89/23/55/791892355.db2.gz WABUZYCSYIGKKU-UHFFFAOYSA-N 1 0 286.397 1.033 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886548102 791949546 /nfs/dbraw/zinc/94/95/46/791949546.db2.gz XGDPPLGZQSTTMR-SECBINFHSA-N 1 0 290.360 1.121 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H](CC)C(=O)NC)ccc1OC ZINC000825315430 791965731 /nfs/dbraw/zinc/96/57/31/791965731.db2.gz AGWXEEMYRXQQJW-CQSZACIVSA-N 1 0 294.395 1.846 20 10 CDCDRO CCCCOCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273019 792050051 /nfs/dbraw/zinc/05/00/51/792050051.db2.gz LJFFDUJPHXDUOR-HNNXBMFYSA-N 1 0 293.411 1.685 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000843428403 792052649 /nfs/dbraw/zinc/05/26/49/792052649.db2.gz WAAHVCLDFNFTLJ-UHFFFAOYSA-N 1 0 274.723 1.753 20 10 CDCDRO C[NH+](C)C1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000715579145 792075862 /nfs/dbraw/zinc/07/58/62/792075862.db2.gz NQHBESPDRYXDTC-UHFFFAOYSA-N 1 0 278.352 1.700 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCSCC1)OCO2 ZINC000048621349 792318250 /nfs/dbraw/zinc/31/82/50/792318250.db2.gz PFAAJSFVGJZZNL-UHFFFAOYSA-N 1 0 253.323 1.670 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(O)cc1C ZINC000776776651 792325885 /nfs/dbraw/zinc/32/58/85/792325885.db2.gz SGJSVHBDUURPNL-CYBMUJFWSA-N 1 0 288.351 1.748 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000841050673 792433990 /nfs/dbraw/zinc/43/39/90/792433990.db2.gz KBMAGTWFLLQSGO-QGZVFWFLSA-N 1 0 289.423 1.991 20 10 CDCDRO CC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000877922751 792547572 /nfs/dbraw/zinc/54/75/72/792547572.db2.gz GLOFHTMEVDHRSH-UHFFFAOYSA-N 1 0 262.353 1.544 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2cc(OC)ccc2O)CC1=O ZINC000846097479 792626383 /nfs/dbraw/zinc/62/63/83/792626383.db2.gz PMJMOVIUQRSBJQ-NSHDSACASA-N 1 0 278.352 1.359 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCc2nccnc2C)c1 ZINC000816651759 792661835 /nfs/dbraw/zinc/66/18/35/792661835.db2.gz PMEHECYFNWLBKU-UHFFFAOYSA-N 1 0 273.336 1.832 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]CCCn1cncn1 ZINC000382011329 792707029 /nfs/dbraw/zinc/70/70/29/792707029.db2.gz LCQOGSZRAUNDEE-UHFFFAOYSA-N 1 0 266.732 1.817 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000841823481 792789294 /nfs/dbraw/zinc/78/92/94/792789294.db2.gz CIYZJMJNHHAAJC-IUODEOHRSA-N 1 0 290.411 1.550 20 10 CDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000843489649 792819402 /nfs/dbraw/zinc/81/94/02/792819402.db2.gz QZWHTMYSYGWKQV-RULNRJAQSA-N 1 0 280.368 1.951 20 10 CDCDRO C[N@H+](CC(=O)NCC1CCC1)Cc1ccccc1O ZINC000109769120 792827837 /nfs/dbraw/zinc/82/78/37/792827837.db2.gz VAGMVKZEESSUOI-UHFFFAOYSA-N 1 0 262.353 1.740 20 10 CDCDRO C[NH2+]CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237331671 792863056 /nfs/dbraw/zinc/86/30/56/792863056.db2.gz KEOWEURQMZYZQP-UHFFFAOYSA-N 1 0 261.369 1.269 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000840889635 793049710 /nfs/dbraw/zinc/04/97/10/793049710.db2.gz SYXUVNDZHJBOPG-GFCCVEGCSA-N 1 0 283.393 1.794 20 10 CDCDRO CC(C)[C@H](CO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000394031825 793208423 /nfs/dbraw/zinc/20/84/23/793208423.db2.gz LEXDZJOXPRWJQS-NSHDSACASA-N 1 0 267.325 1.475 20 10 CDCDRO COc1cc(O)c(C[NH2+]C2(CN(C)C)CCC2)cc1OC ZINC000798961455 793301760 /nfs/dbraw/zinc/30/17/60/793301760.db2.gz XGYJZFACACNLEA-UHFFFAOYSA-N 1 0 294.395 1.983 20 10 CDCDRO C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000831073479 793337898 /nfs/dbraw/zinc/33/78/98/793337898.db2.gz UUWVZDINWMIHJV-LRDDRELGSA-N 1 0 290.411 1.865 20 10 CDCDRO C[C@H](NCc1cn(C)nn1)c1c(O)cccc1F ZINC000886588709 793339089 /nfs/dbraw/zinc/33/90/89/793339089.db2.gz XTAWJZBPTZLNFS-QMMMGPOBSA-N 1 0 250.277 1.511 20 10 CDCDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001019854296 793382790 /nfs/dbraw/zinc/38/27/90/793382790.db2.gz VZPQKIADTMKPMB-LBPRGKRZSA-N 1 0 289.339 1.673 20 10 CDCDRO Oc1cccc(Cl)c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000380222907 793416728 /nfs/dbraw/zinc/41/67/28/793416728.db2.gz JPRQCSCOERBGMC-GFCCVEGCSA-N 1 0 295.814 1.525 20 10 CDCDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1O ZINC000825045873 793430540 /nfs/dbraw/zinc/43/05/40/793430540.db2.gz NHZHDROYLUXZDD-SNVBAGLBSA-N 1 0 263.316 1.986 20 10 CDCDRO Fc1cc(CN2CCC[NH2+]CC2)ccc1N1CCOCC1 ZINC000843047319 793436042 /nfs/dbraw/zinc/43/60/42/793436042.db2.gz LMIXPFYZPOSGEY-UHFFFAOYSA-N 1 0 293.386 1.458 20 10 CDCDRO COc1ccc(N2CC[NH+](CC[C@H](C)O)CC2)cc1F ZINC000828031932 793446689 /nfs/dbraw/zinc/44/66/89/793446689.db2.gz REEVFJSMEYVROJ-LBPRGKRZSA-N 1 0 282.359 1.727 20 10 CDCDRO CSC[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819064411 793475742 /nfs/dbraw/zinc/47/57/42/793475742.db2.gz WVRPWQUPPYWGDD-SECBINFHSA-N 1 0 278.468 1.939 20 10 CDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000126751833 793521444 /nfs/dbraw/zinc/52/14/44/793521444.db2.gz IMSVPCXNGRAMCW-WCQYABFASA-N 1 0 262.353 1.739 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000840973896 793756055 /nfs/dbraw/zinc/75/60/55/793756055.db2.gz XUXZYEWORCFRLY-UHFFFAOYSA-N 1 0 285.409 1.918 20 10 CDCDRO CC[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC000841955718 793828152 /nfs/dbraw/zinc/82/81/52/793828152.db2.gz LBDHSKVIEGYWGQ-ZFWWWQNUSA-N 1 0 290.411 1.580 20 10 CDCDRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000841759447 793954073 /nfs/dbraw/zinc/95/40/73/793954073.db2.gz OABZIFFPTFKNNM-GFCCVEGCSA-N 1 0 290.411 1.558 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000877111660 794142601 /nfs/dbraw/zinc/14/26/01/794142601.db2.gz LENYEINLFYAUDF-LLVKDONJSA-N 1 0 269.366 1.367 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CC(N)=O)c1O ZINC000169091954 794188551 /nfs/dbraw/zinc/18/85/51/794188551.db2.gz CSCVATGRFCIMSU-ZETCQYMHSA-N 1 0 272.732 1.408 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN(C)C[C@@H]2CO)c1O ZINC000877643190 794198300 /nfs/dbraw/zinc/19/83/00/794198300.db2.gz BYLXFEZIVYNOHM-CQSZACIVSA-N 1 0 264.369 1.063 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1=O ZINC000922639840 794256872 /nfs/dbraw/zinc/25/68/72/794256872.db2.gz PRGSBINBRAFUBQ-NSHDSACASA-N 1 0 292.335 1.221 20 10 CDCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000877256308 794284096 /nfs/dbraw/zinc/28/40/96/794284096.db2.gz RWRAECOVKOGFTJ-JRPNMDOOSA-N 1 0 278.352 1.336 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCOCCO)c(O)c1 ZINC000800547301 794289197 /nfs/dbraw/zinc/28/91/97/794289197.db2.gz XIAZETBEGLXODS-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCOC1 ZINC000123284396 794308462 /nfs/dbraw/zinc/30/84/62/794308462.db2.gz ZFJCQGSPRHEQRK-IINYFYTJSA-N 1 0 269.316 1.987 20 10 CDCDRO C[C@H](CCCCO)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817942570 794454314 /nfs/dbraw/zinc/45/43/14/794454314.db2.gz PPIPTBDQWJPRRF-CZUORRHYSA-N 1 0 279.428 1.893 20 10 CDCDRO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000817281495 794465196 /nfs/dbraw/zinc/46/51/96/794465196.db2.gz XGECDRSJSGPZMW-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(C)ccc1O ZINC000843121314 794772282 /nfs/dbraw/zinc/77/22/82/794772282.db2.gz CVYHGIHAUWXXIQ-STQMWFEESA-N 1 0 252.333 1.832 20 10 CDCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846152036 794833372 /nfs/dbraw/zinc/83/33/72/794833372.db2.gz MBKAFIKOIPKQAZ-NSHDSACASA-N 1 0 290.367 1.906 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c1O ZINC000711722993 794879667 /nfs/dbraw/zinc/87/96/67/794879667.db2.gz QZRGHWBJCBYLGL-PWSUYJOCSA-N 1 0 269.366 1.223 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccccc1O ZINC000232790612 794955839 /nfs/dbraw/zinc/95/58/39/794955839.db2.gz YXFVPSLKRAGOCU-UHFFFAOYSA-N 1 0 257.355 1.305 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH2+]C[C@H]2C)c1 ZINC000843048058 795038755 /nfs/dbraw/zinc/03/87/55/795038755.db2.gz KYWMJDHATAHGPD-LLVKDONJSA-N 1 0 250.342 1.585 20 10 CDCDRO COc1cc(O)c(C[N@H+](C[C@@H](C)O)C2CC2)cc1OC ZINC000848928453 795045400 /nfs/dbraw/zinc/04/54/00/795045400.db2.gz DPCBRHGKQAIGIH-SNVBAGLBSA-N 1 0 281.352 1.755 20 10 CDCDRO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000832497485 795069316 /nfs/dbraw/zinc/06/93/16/795069316.db2.gz HBYOOVNWZROXMC-AAEUAGOBSA-N 1 0 261.369 1.316 20 10 CDCDRO CCCOc1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1C ZINC000873147371 795089698 /nfs/dbraw/zinc/08/96/98/795089698.db2.gz UXJRJUNLVCRSFD-INIZCTEOSA-N 1 0 292.423 1.940 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1C ZINC000858338629 795547264 /nfs/dbraw/zinc/54/72/64/795547264.db2.gz JBSSPKFSLXUMDH-AWEZNQCLSA-N 1 0 264.369 1.160 20 10 CDCDRO Cc1ccc(C[NH2+]CCOC[C@@H]2CCOC2)c(O)c1 ZINC000877008178 795607620 /nfs/dbraw/zinc/60/76/20/795607620.db2.gz MHZGNECRODYOMA-CYBMUJFWSA-N 1 0 265.353 1.843 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(C)cc1O ZINC000858547618 795832117 /nfs/dbraw/zinc/83/21/17/795832117.db2.gz HOZNUQBHTBQOQK-UKRRQHHQSA-N 1 0 278.396 1.808 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228677089 795840523 /nfs/dbraw/zinc/84/05/23/795840523.db2.gz WMVJCGBSPXVLPG-UHFFFAOYSA-N 1 0 272.732 1.280 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1O ZINC000794716390 795849650 /nfs/dbraw/zinc/84/96/50/795849650.db2.gz RWSWYYYKIMEDOZ-HNNXBMFYSA-N 1 0 278.352 1.407 20 10 CDCDRO Cn1cc(/C=C/C(=O)N2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000818551548 795850737 /nfs/dbraw/zinc/85/07/37/795850737.db2.gz GUVFNHQHPHCYES-FNORWQNLSA-N 1 0 296.374 1.871 20 10 CDCDRO CN1CCC[NH+]=C1NCc1ccc(N2CCOCC2)cc1 ZINC000848991104 795857224 /nfs/dbraw/zinc/85/72/24/795857224.db2.gz CSDFOZLJUVAZRB-UHFFFAOYSA-N 1 0 288.395 1.304 20 10 CDCDRO Cc1cc(O)c(C[N@H+](CCO)C2CCOCC2)cc1C ZINC000275687597 795864399 /nfs/dbraw/zinc/86/43/99/795864399.db2.gz AMCJMCNWCREKCN-UHFFFAOYSA-N 1 0 279.380 1.982 20 10 CDCDRO CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)c2ccc(N)cc2)C1(C)C ZINC000877077278 795875959 /nfs/dbraw/zinc/87/59/59/795875959.db2.gz BIXKDZXCIICQPK-BBRMVZONSA-N 1 0 291.395 1.764 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2CC3(C2)OCCO3)cc1 ZINC000922803707 795893589 /nfs/dbraw/zinc/89/35/89/795893589.db2.gz CKVGHYZDPIGKCH-UHFFFAOYSA-N 1 0 276.380 1.995 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000877008900 795895954 /nfs/dbraw/zinc/89/59/54/795895954.db2.gz BQAGGEVJRFZFHS-DLBZAZTESA-N 1 0 295.386 1.683 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000841656155 795896217 /nfs/dbraw/zinc/89/62/17/795896217.db2.gz WWVJNBYNECSYKQ-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000877516019 795899746 /nfs/dbraw/zinc/89/97/46/795899746.db2.gz ARWSHCVQAOHUAI-LSDHHAIUSA-N 1 0 290.407 1.996 20 10 CDCDRO OC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834761956 795930742 /nfs/dbraw/zinc/93/07/42/795930742.db2.gz WJLOSYVPVVFREP-KBPBESRZSA-N 1 0 277.364 1.757 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)CSC)c1O ZINC000120679197 796086988 /nfs/dbraw/zinc/08/69/88/796086988.db2.gz IGVZMFSTTBRWJZ-CQSZACIVSA-N 1 0 285.409 1.995 20 10 CDCDRO COc1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c(O)c1 ZINC000832178065 796131102 /nfs/dbraw/zinc/13/11/02/796131102.db2.gz MLBWZSBWWDJEID-LLVKDONJSA-N 1 0 296.392 1.112 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1F ZINC000827905925 796293457 /nfs/dbraw/zinc/29/34/57/796293457.db2.gz CMYAXKPKYUKACU-SNVBAGLBSA-N 1 0 289.301 1.490 20 10 CDCDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843052933 796329536 /nfs/dbraw/zinc/32/95/36/796329536.db2.gz PEQVHNOEALUBCY-ZDUSSCGKSA-N 1 0 265.376 1.933 20 10 CDCDRO COc1ccc(CNC(=O)CC2(C[NH3+])CC2)c(O)c1 ZINC000818000728 796361219 /nfs/dbraw/zinc/36/12/19/796361219.db2.gz URPSCZDYRRBXOQ-UHFFFAOYSA-N 1 0 264.325 1.146 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)NCCCSc1nccs1 ZINC000841856704 796386999 /nfs/dbraw/zinc/38/69/99/796386999.db2.gz KFWKAUZPPDJNBD-SECBINFHSA-N 1 0 288.442 1.662 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000817411647 796389396 /nfs/dbraw/zinc/38/93/96/796389396.db2.gz WOULEKAMFPTPCC-UHFFFAOYSA-N 1 0 278.352 1.536 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000934939162 796389928 /nfs/dbraw/zinc/38/99/28/796389928.db2.gz OSKUIVQHSWCJCL-CYBMUJFWSA-N 1 0 292.379 1.629 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c1O ZINC001233290388 912771836 /nfs/dbraw/zinc/77/18/36/912771836.db2.gz AAEAFQYXSAYWRF-RYUDHWBXSA-N 1 0 282.771 1.943 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@]1(C)O ZINC001233483363 912820225 /nfs/dbraw/zinc/82/02/25/912820225.db2.gz XEEANFSOJBWKJE-MEBBXXQBSA-N 1 0 281.352 1.786 20 10 CDCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000699833186 914331196 /nfs/dbraw/zinc/33/11/96/914331196.db2.gz FTUNHDZZUPZAEC-PSASIEDQSA-N 1 0 251.282 1.245 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001236172162 914728408 /nfs/dbraw/zinc/72/84/08/914728408.db2.gz GFHQTKJFZCGRFO-SECBINFHSA-N 1 0 260.259 1.944 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCN2C)c1O ZINC000712536598 909581947 /nfs/dbraw/zinc/58/19/47/909581947.db2.gz UMAFCCRNNFBFCB-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001172600981 911767709 /nfs/dbraw/zinc/76/77/09/911767709.db2.gz HCSTVAZPLMNROJ-JQWIXIFHSA-N 1 0 279.336 1.919 20 10 CDCDRO COc1cc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c(OC)c1 ZINC001206448395 917038565 /nfs/dbraw/zinc/03/85/65/917038565.db2.gz ZQAJONNSJPOTFV-QWRGUYRKSA-N 1 0 284.331 1.281 20 10 CDCDRO CN1CCCc2cc(C[N@H+]3CCc4nncn4CC3)ccc21 ZINC001138354335 936525035 /nfs/dbraw/zinc/52/50/35/936525035.db2.gz FQBARFSGQQBKFX-UHFFFAOYSA-N 1 0 297.406 1.719 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)C[C@H](C)[NH3+])CC2)cc1 ZINC000827458463 936593118 /nfs/dbraw/zinc/59/31/18/936593118.db2.gz DCWUKEHKLYWZPP-ZDUSSCGKSA-N 1 0 291.395 1.471 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(O)c1 ZINC001203620748 919677529 /nfs/dbraw/zinc/67/75/29/919677529.db2.gz HMNSAHWVZHLWPP-UHFFFAOYSA-N 1 0 290.363 1.503 20 10 CDCDRO Cc1cc(C[N@@H+](C)CCC(=O)N(C)C)ccc1N(C)C ZINC001139673732 936634543 /nfs/dbraw/zinc/63/45/43/936634543.db2.gz WQILOGFNKQLXHO-UHFFFAOYSA-N 1 0 277.412 1.971 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC001186850195 920179073 /nfs/dbraw/zinc/17/90/73/920179073.db2.gz SNWAXWIXFBCYID-ZDUSSCGKSA-N 1 0 299.374 1.891 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1 ZINC001203669991 920681801 /nfs/dbraw/zinc/68/18/01/920681801.db2.gz JMKWHBTXBIQXEM-BXUZGUMPSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c1O ZINC001140744282 936748886 /nfs/dbraw/zinc/74/88/86/936748886.db2.gz RUUOHHSJAZPMLH-WDEREUQCSA-N 1 0 264.369 1.931 20 10 CDCDRO Cc1c(O)ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC001140748487 936749361 /nfs/dbraw/zinc/74/93/61/936749361.db2.gz HMYWIHSGVVVKNM-JSGCOSHPSA-N 1 0 276.380 1.932 20 10 CDCDRO Cc1ccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)c(O)c1 ZINC001140950680 936783404 /nfs/dbraw/zinc/78/34/04/936783404.db2.gz CJMZNLMPNBGCEO-ZDUSSCGKSA-N 1 0 264.344 1.929 20 10 CDCDRO C[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)[C@H]1CO ZINC001141156755 936821178 /nfs/dbraw/zinc/82/11/78/936821178.db2.gz UDWJUORWYSZTGM-GWCFXTLKSA-N 1 0 251.326 1.691 20 10 CDCDRO CC(C)C(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159227 936822084 /nfs/dbraw/zinc/82/20/84/936822084.db2.gz CUSFSQXHEZPMFT-UHFFFAOYSA-N 1 0 292.379 1.834 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCOC[C@@](C)(O)C3)ccc21 ZINC001141140414 936818970 /nfs/dbraw/zinc/81/89/70/936818970.db2.gz LQCMUSGFLGYTPU-INIZCTEOSA-N 1 0 292.379 1.098 20 10 CDCDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193236466 923557300 /nfs/dbraw/zinc/55/73/00/923557300.db2.gz DNTINERYKFNJHO-QMMMGPOBSA-N 1 0 284.743 1.575 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H](O)Cn1cccn1 ZINC000923286692 923710452 /nfs/dbraw/zinc/71/04/52/923710452.db2.gz LLMHKPTYRZENMN-HNNXBMFYSA-N 1 0 286.379 1.156 20 10 CDCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882577 925201428 /nfs/dbraw/zinc/20/14/28/925201428.db2.gz MSPNXHZURFQYNP-HNNXBMFYSA-N 1 0 279.336 1.873 20 10 CDCDRO COc1ccc(C[NH2+]C2(CO)COC(C)(C)OC2)cc1C ZINC001119849685 925520432 /nfs/dbraw/zinc/52/04/32/925520432.db2.gz MBJNPZLYHPODOO-UHFFFAOYSA-N 1 0 295.379 1.607 20 10 CDCDRO C[NH+](C)C1(C)CN(Cc2cc(F)c(F)cc2O)C1 ZINC001142524775 937027791 /nfs/dbraw/zinc/02/77/91/937027791.db2.gz JZHAIMQSJPYXRQ-UHFFFAOYSA-N 1 0 256.296 1.806 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001168959146 927578927 /nfs/dbraw/zinc/57/89/27/927578927.db2.gz UAEFWMXAZFZUOS-OLUVUFQESA-N 1 0 296.323 1.166 20 10 CDCDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001168987234 927623059 /nfs/dbraw/zinc/62/30/59/927623059.db2.gz HRMHATOHZADLSH-GXSJLCMTSA-N 1 0 266.297 1.633 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1O ZINC000691452474 928870974 /nfs/dbraw/zinc/87/09/74/928870974.db2.gz KDHIAZQUOPEAGK-ZDUSSCGKSA-N 1 0 283.393 1.621 20 10 CDCDRO COCC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499203 931858149 /nfs/dbraw/zinc/85/81/49/931858149.db2.gz FCFOEZWSEQWBKI-UHFFFAOYSA-N 1 0 267.325 1.662 20 10 CDCDRO CN1C[C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001144514697 931877646 /nfs/dbraw/zinc/87/76/46/931877646.db2.gz OYQGFKWWCDTUJS-ZWNOBZJWSA-N 1 0 278.352 1.329 20 10 CDCDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514931 931878816 /nfs/dbraw/zinc/87/88/16/931878816.db2.gz YBVFCQXHEURGTC-SNVBAGLBSA-N 1 0 295.335 1.579 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001144515628 931880582 /nfs/dbraw/zinc/88/05/82/931880582.db2.gz SZPFRDLUGLWNCK-XPTSAGLGSA-N 1 0 265.309 1.414 20 10 CDCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)O1 ZINC001144515609 931880651 /nfs/dbraw/zinc/88/06/51/931880651.db2.gz SGNCANLAIMDHGD-OAHLLOKOSA-N 1 0 293.319 1.475 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000846053808 931966158 /nfs/dbraw/zinc/96/61/58/931966158.db2.gz XVOAMLAUYWSJPB-VXGBXAGGSA-N 1 0 271.744 1.627 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)[C@H](C)O ZINC001118179611 937598972 /nfs/dbraw/zinc/59/89/72/937598972.db2.gz ZUVCAPYXLDHDGM-KGLIPLIRSA-N 1 0 292.423 1.754 20 10 CDCDRO COC(=O)[C@@H]1COCCC12C[NH+](Cc1ccccc1O)C2 ZINC001203558632 939693346 /nfs/dbraw/zinc/69/33/46/939693346.db2.gz RCMUYWTUVNWFLM-ZDUSSCGKSA-N 1 0 291.347 1.404 20 10 CDCDRO Oc1ccccc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001203563066 939693474 /nfs/dbraw/zinc/69/34/74/939693474.db2.gz UQXBTTCUNWRTGX-HNNXBMFYSA-N 1 0 276.380 1.689 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1O ZINC001203589442 939695029 /nfs/dbraw/zinc/69/50/29/939695029.db2.gz IEVAVPIFNVQPSK-PWSUYJOCSA-N 1 0 285.290 1.867 20 10 CDCDRO Oc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1O ZINC001203882709 939711483 /nfs/dbraw/zinc/71/14/83/939711483.db2.gz SBWAKXVRAAPKBU-ZDUSSCGKSA-N 1 0 278.352 1.004 20 10 CDCDRO CC[NH+]1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001203883296 939711602 /nfs/dbraw/zinc/71/16/02/939711602.db2.gz HHBVQJDWRQIXFS-STQMWFEESA-N 1 0 262.353 1.481 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(CCF)CC2)cc1 ZINC001203934421 939714896 /nfs/dbraw/zinc/71/48/96/939714896.db2.gz VUDLERVSKPDGJP-UHFFFAOYSA-N 1 0 265.376 1.840 20 10 CDCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278184 939751309 /nfs/dbraw/zinc/75/13/09/939751309.db2.gz WVSKABPQOIBCHK-FZMZJTMJSA-N 1 0 262.353 1.624 20 10 CDCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278653 939751696 /nfs/dbraw/zinc/75/16/96/939751696.db2.gz GZTZTGIVRVBCGN-PWSUYJOCSA-N 1 0 279.336 1.871 20 10 CDCDRO Oc1ccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001204282297 939752043 /nfs/dbraw/zinc/75/20/43/939752043.db2.gz PDJYULHZAQECSC-OAHLLOKOSA-N 1 0 292.379 1.394 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001204324474 939755079 /nfs/dbraw/zinc/75/50/79/939755079.db2.gz LNAXCEUCYREPBV-GOEBONIOSA-N 1 0 276.380 1.072 20 10 CDCDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204319021 939755792 /nfs/dbraw/zinc/75/57/92/939755792.db2.gz DWQWKGYGXPIMRD-HNNXBMFYSA-N 1 0 287.407 1.984 20 10 CDCDRO Fc1cc(N2CCOCC2)ccc1CN1CCC[NH2+]CC1 ZINC001204667047 939784542 /nfs/dbraw/zinc/78/45/42/939784542.db2.gz BYTYJLCZTVVRJT-UHFFFAOYSA-N 1 0 293.386 1.458 20 10 CDCDRO C[C@]1([NH3+])CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001204782929 939790916 /nfs/dbraw/zinc/79/09/16/939790916.db2.gz MEBYRGMJBMZXMD-KRWDZBQOSA-N 1 0 289.423 1.571 20 10 CDCDRO C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@H]1[NH3+] ZINC001206065504 939973283 /nfs/dbraw/zinc/97/32/83/939973283.db2.gz YXRFOOKAARLWTL-DGCLKSJQSA-N 1 0 261.369 1.294 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@H]1F ZINC001206197982 939996250 /nfs/dbraw/zinc/99/62/50/939996250.db2.gz KPSHHVIZFFWHEM-MWLCHTKSSA-N 1 0 274.286 1.932 20 10 CDCDRO [NH3+][C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@H]1F ZINC001206197981 939996436 /nfs/dbraw/zinc/99/64/36/939996436.db2.gz KPSHHVIZFFWHEM-KOLCDFICSA-N 1 0 274.286 1.932 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)C1CCC1)OCO2 ZINC000315984876 941469851 /nfs/dbraw/zinc/46/98/51/941469851.db2.gz BMMKELMUJQCODY-GFCCVEGCSA-N 1 0 265.309 1.372 20 10 CDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000316737794 941494064 /nfs/dbraw/zinc/49/40/64/941494064.db2.gz KIYAVPNOJVSGEM-QGZVFWFLSA-N 1 0 290.407 1.774 20 10 CDCDRO NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001276913535 941692646 /nfs/dbraw/zinc/69/26/46/941692646.db2.gz FBZWGXSOPNIZLG-BLLLJJGKSA-N 1 0 290.363 1.575 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)[C@H]3C(N)=O)c1O ZINC001277452687 942605319 /nfs/dbraw/zinc/60/53/19/942605319.db2.gz YKAKFPOBCOPGBV-GNXNZQSNSA-N 1 0 290.363 1.344 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c1O ZINC001277454803 942614581 /nfs/dbraw/zinc/61/45/81/942614581.db2.gz ZYJNSUPJPPARKX-XHDPSFHLSA-N 1 0 276.336 1.241 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1O ZINC001231591215 942939081 /nfs/dbraw/zinc/93/90/81/942939081.db2.gz WEAYJEXHDXBWEJ-QWHCGFSZSA-N 1 0 253.317 1.995 20 10 CDCDRO Cc1cccc(C[N@H+](C)CCC2OCCO2)c1O ZINC001231594166 942939186 /nfs/dbraw/zinc/93/91/86/942939186.db2.gz UVYRDZCGHLYSKR-UHFFFAOYSA-N 1 0 251.326 1.895 20 10 CDCDRO Cc1cccc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c1O ZINC001231594066 942939313 /nfs/dbraw/zinc/93/93/13/942939313.db2.gz CPXZMGAVRHQBHG-HNNXBMFYSA-N 1 0 287.363 1.664 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@@H](OC)C2)c(O)cc1O ZINC001231635079 942952177 /nfs/dbraw/zinc/95/21/77/942952177.db2.gz VHNOQLPTUYRHBC-SNVBAGLBSA-N 1 0 253.298 1.327 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](OC)C1 ZINC001231852228 943030171 /nfs/dbraw/zinc/03/01/71/943030171.db2.gz SGIHWONLCONRLV-AWEZNQCLSA-N 1 0 264.369 1.982 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231914159 943054384 /nfs/dbraw/zinc/05/43/84/943054384.db2.gz ZISCBYRDDGIVAH-NSHDSACASA-N 1 0 297.786 1.939 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001232834677 943413247 /nfs/dbraw/zinc/41/32/47/943413247.db2.gz JJUPJTRMGKMBIT-JSGCOSHPSA-N 1 0 268.332 1.363 20 10 CDCDRO C[C@@H]1COCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232834847 943413263 /nfs/dbraw/zinc/41/32/63/943413263.db2.gz OCEGESYSXDUROK-LBPRGKRZSA-N 1 0 264.369 1.927 20 10 CDCDRO COC(=O)C1C[NH+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232836372 943414325 /nfs/dbraw/zinc/41/43/25/943414325.db2.gz OQWUJBMPZMIMBC-UHFFFAOYSA-N 1 0 264.325 1.063 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232838623 943416271 /nfs/dbraw/zinc/41/62/71/943416271.db2.gz ATYCVPQXSQCMOU-UHFFFAOYSA-N 1 0 279.384 1.368 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@H]1C ZINC001232841096 943417224 /nfs/dbraw/zinc/41/72/24/943417224.db2.gz SGHXDQQABGTKJG-GFCCVEGCSA-N 1 0 291.395 1.511 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(O)c(O)c(O)c1 ZINC001233014324 943463654 /nfs/dbraw/zinc/46/36/54/943463654.db2.gz PAYAULVBFONYII-VHSXEESVSA-N 1 0 266.341 1.328 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC001233284380 943531169 /nfs/dbraw/zinc/53/11/69/943531169.db2.gz SILGJKZATGEZCT-BBRMVZONSA-N 1 0 293.407 1.865 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@@H]1O ZINC001233452432 943588389 /nfs/dbraw/zinc/58/83/89/943588389.db2.gz WIBDZKQDRDIINP-CABZTGNLSA-N 1 0 291.269 1.196 20 10 CDCDRO CCC(=O)NC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485088 943592458 /nfs/dbraw/zinc/59/24/58/943592458.db2.gz INIDWJAKJUIVIC-UHFFFAOYSA-N 1 0 294.351 1.294 20 10 CDCDRO CCOc1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235992624 944359685 /nfs/dbraw/zinc/35/96/85/944359685.db2.gz PUWFLDISQQYLBQ-IUODEOHRSA-N 1 0 262.353 1.714 20 10 CDCDRO COC(=O)Cc1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235998303 944366202 /nfs/dbraw/zinc/36/62/02/944366202.db2.gz YCHZSCNTASTYKX-CZUORRHYSA-N 1 0 290.363 1.031 20 10 CDCDRO COc1cc(O)c(CN(C)C[C@@H]2CCC[NH2+]2)cc1OC ZINC001236122689 944409598 /nfs/dbraw/zinc/40/95/98/944409598.db2.gz YAIUPKAUKPTIAH-LBPRGKRZSA-N 1 0 280.368 1.593 20 10 CDCDRO CN(Cc1ccc(N(C)C)cc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236189856 944424826 /nfs/dbraw/zinc/42/48/26/944424826.db2.gz PKKPEIIGSBIHPJ-HNNXBMFYSA-N 1 0 277.412 1.909 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC([C@H](C)OC)C2)cc1OC ZINC001236753041 944557270 /nfs/dbraw/zinc/55/72/70/944557270.db2.gz GEBWWHUSOFGWES-JTQLQIEISA-N 1 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MKQIJVIEDLVBMP-STQMWFEESA-N 1 0 284.787 1.773 20 10 CDCDRO Oc1ccc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237379920 944736524 /nfs/dbraw/zinc/73/65/24/944736524.db2.gz DRYBHDUTUNKAKG-QWHCGFSZSA-N 1 0 262.353 1.672 20 10 CDCDRO Cc1cc(F)cc(CN2CC[N@H+](C)[C@H](C)C2)c1O ZINC001238070793 945052993 /nfs/dbraw/zinc/05/29/93/945052993.db2.gz PGZAXKOCBCGDIZ-LLVKDONJSA-N 1 0 252.333 1.976 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC001262585168 946739976 /nfs/dbraw/zinc/73/99/76/946739976.db2.gz VAPZPHHWADATME-CYBMUJFWSA-N 1 0 276.384 1.192 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001257028055 948486011 /nfs/dbraw/zinc/48/60/11/948486011.db2.gz QAEWKAHSRVLTHL-CMPLNLGQSA-N 1 0 279.336 1.919 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001257070343 948516954 /nfs/dbraw/zinc/51/69/54/948516954.db2.gz LPZVOEKBGXIJRC-HOZXKAFVSA-N 1 0 281.352 1.677 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)c1 ZINC001249171514 949437086 /nfs/dbraw/zinc/43/70/86/949437086.db2.gz CYODEXKBWISFOK-MRXNPFEDSA-N 1 0 293.363 1.312 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CNCc1cccc(C)c1O ZINC001253214991 951816417 /nfs/dbraw/zinc/81/64/17/951816417.db2.gz UUGJIILIVUYARP-AWEZNQCLSA-N 1 0 266.385 1.493 20 10 CDCDRO CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253691158 952040825 /nfs/dbraw/zinc/04/08/25/952040825.db2.gz PHARMYNKWKGIQX-CQSZACIVSA-N 1 0 293.363 1.453 20 10 CDCDRO Nc1ccc(-n2cc(-c3c[nH+]ccc3N)nn2)cc1 ZINC001254080363 952187662 /nfs/dbraw/zinc/18/76/62/952187662.db2.gz CNLMRXDKQOOHGC-UHFFFAOYSA-N 1 0 252.281 1.324 20 10 CDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(N)cc1)C2 ZINC001334774193 954267843 /nfs/dbraw/zinc/26/78/43/954267843.db2.gz GHJWDMLVFKTTQH-GFCCVEGCSA-N 1 0 257.341 1.044 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2COC[C@H]2OC)c1O ZINC001308812697 956584384 /nfs/dbraw/zinc/58/43/84/956584384.db2.gz ZFZRYFCAJRFFPG-QWHCGFSZSA-N 1 0 251.326 1.458 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC001319706771 958695890 /nfs/dbraw/zinc/69/58/90/958695890.db2.gz CQHRNWLTZKEZGK-OAHLLOKOSA-N 1 0 265.353 1.995 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(OCC(N)=O)CC2)cc1 ZINC001337041996 960884410 /nfs/dbraw/zinc/88/44/10/960884410.db2.gz FUBRKAGQBLSUSA-UHFFFAOYSA-N 1 0 291.395 1.219 20 10 CDCDRO C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(N)cc2)[C@H]1C ZINC001337070857 960911608 /nfs/dbraw/zinc/91/16/08/960911608.db2.gz YHOWLGVGKILBPY-MNOVXSKESA-N 1 0 262.357 1.161 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])CC2)cc1 ZINC001338733087 961970060 /nfs/dbraw/zinc/97/00/60/961970060.db2.gz YCFAULVQYUZFCK-UHFFFAOYSA-N 1 0 262.357 1.043 20 10 CDCDRO Nc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001345159479 964610756 /nfs/dbraw/zinc/61/07/56/964610756.db2.gz HPEKORPOEXBLFF-HNNXBMFYSA-N 1 0 261.369 1.175 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC001345159467 964611511 /nfs/dbraw/zinc/61/15/11/964611511.db2.gz HCYDDZQGEHEAJY-HNNXBMFYSA-N 1 0 275.396 1.423 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1 ZINC001352786834 967479940 /nfs/dbraw/zinc/47/99/40/967479940.db2.gz AZHSJXBYHVOJAE-AWEZNQCLSA-N 1 0 262.353 1.996 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC001352788522 967482109 /nfs/dbraw/zinc/48/21/09/967482109.db2.gz FHLWWVYXNLZJCV-OAHLLOKOSA-N 1 0 290.411 1.088 20 10 CDCDRO Oc1ccccc1CNC(=S)NCC[NH+]1CCCCC1 ZINC001200437883 968206197 /nfs/dbraw/zinc/20/61/97/968206197.db2.gz LOXUUHPBTXJCFQ-UHFFFAOYSA-N 1 0 293.436 1.842 20 10 CDCDRO C[C@@H]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C[NH2+]1 ZINC001576667183 1171482906 /nfs/dbraw/zinc/48/29/06/1171482906.db2.gz SGWFAJCIIRVONS-NXEZZACHSA-N 1 0 281.331 1.471 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000178866766 342532842 /nfs/dbraw/zinc/53/28/42/342532842.db2.gz FWRLNXAGBWFDNW-RISCZKNCSA-N 1 0 273.380 1.553 20 10 CDCDRO COc1cccc(C[NH2+]CCCC(=O)NC2CC2)c1O ZINC000112017123 365853477 /nfs/dbraw/zinc/85/34/77/365853477.db2.gz BULRVYMODPBUMX-UHFFFAOYSA-N 1 0 278.352 1.549 20 10 CDCDRO COc1ccc(CN[C@@H]2C[NH2+]CC23CC3)c(O)c1OC ZINC001579216319 1172118950 /nfs/dbraw/zinc/11/89/50/1172118950.db2.gz NXEYEWLYRJAHHA-GFCCVEGCSA-N 1 0 278.352 1.251 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[NH2+][C@@H]1C)c1ccccc1O ZINC001579484525 1172195624 /nfs/dbraw/zinc/19/56/24/1172195624.db2.gz MCOXDUPHQQCBDF-UMNHJUIQSA-N 1 0 263.341 1.503 20 10 CDCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCC[N@H+](C)C1 ZINC000181122402 357315598 /nfs/dbraw/zinc/31/55/98/357315598.db2.gz JWPWXBSAJBIDKK-CFNZNRNTSA-N 1 0 290.363 1.664 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CNCCO2)c(Cl)c1 ZINC001579638282 1172231146 /nfs/dbraw/zinc/23/11/46/1172231146.db2.gz UQYSVAZMGOPOKJ-AWEZNQCLSA-N 1 0 284.787 1.822 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1F ZINC000271235209 364977393 /nfs/dbraw/zinc/97/73/93/364977393.db2.gz WJGZXJZHPRNOIE-CQSZACIVSA-N 1 0 252.333 1.848 20 10 CDCDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cc(F)ccc1O ZINC000181232838 365025303 /nfs/dbraw/zinc/02/53/03/365025303.db2.gz XBVPJJFVPGTFNO-JTQLQIEISA-N 1 0 282.315 1.041 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272584324 365306113 /nfs/dbraw/zinc/30/61/13/365306113.db2.gz YQWHEKXWSYLHRK-WDEREUQCSA-N 1 0 251.326 1.604 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(O)c1O ZINC000272770558 365389375 /nfs/dbraw/zinc/38/93/75/365389375.db2.gz SBBXUZGCESPEIA-GXFFZTMASA-N 1 0 290.363 1.619 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000273445953 365496805 /nfs/dbraw/zinc/49/68/05/365496805.db2.gz ZTJGYZUKVCLJPM-WCQYABFASA-N 1 0 292.379 1.924 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1C ZINC000273578089 365508721 /nfs/dbraw/zinc/50/87/21/365508721.db2.gz MDVGDMLHNYJAIR-NEPJUHHUSA-N 1 0 262.353 1.890 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282187916 367764297 /nfs/dbraw/zinc/76/42/97/367764297.db2.gz BSTZMOAITPELCO-LJQANCHMSA-N 1 0 283.393 1.792 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)ccc1N(C)C ZINC000294268323 371023275 /nfs/dbraw/zinc/02/32/75/371023275.db2.gz VJFZOQJXQVCMNG-INIZCTEOSA-N 1 0 275.396 1.758 20 10 CDCDRO Nc1ccc(CC(=O)N2CCCC[C@@H]2CC[NH3+])cc1 ZINC000294714402 371087219 /nfs/dbraw/zinc/08/72/19/371087219.db2.gz CDNPQXKQHHOUFU-CQSZACIVSA-N 1 0 261.369 1.541 20 10 CDCDRO C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248647326 296180639 /nfs/dbraw/zinc/18/06/39/296180639.db2.gz IHIJWOLEYFPOIR-TZMCWYRMSA-N 1 0 265.353 1.754 20 10 CDCDRO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)Cc1ccccc1O ZINC000109773073 390648348 /nfs/dbraw/zinc/64/83/48/390648348.db2.gz HUEKRBXAMFCSLX-SNVBAGLBSA-N 1 0 291.351 1.201 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000121439177 390886442 /nfs/dbraw/zinc/88/64/42/390886442.db2.gz TXZAYYOUBAYUHG-INIZCTEOSA-N 1 0 287.407 1.996 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1 ZINC000293980222 390893945 /nfs/dbraw/zinc/89/39/45/390893945.db2.gz RGDKJTDCMFIMTB-ZDUSSCGKSA-N 1 0 297.420 1.957 20 10 CDCDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccc1O ZINC000093771763 390904339 /nfs/dbraw/zinc/90/43/39/390904339.db2.gz WYGCTPBDNXZFKT-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1cc(C[N@@H+]2CCOC[C@@H](O)C2)ccc1N(C)C ZINC000295620651 391057738 /nfs/dbraw/zinc/05/77/38/391057738.db2.gz OJODHZTZZNLHIL-AWEZNQCLSA-N 1 0 264.369 1.254 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000183628455 391267554 /nfs/dbraw/zinc/26/75/54/391267554.db2.gz OFLQCWSQNIABOP-NWDGAFQWSA-N 1 0 298.408 1.324 20 10 CDCDRO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000281921989 391427231 /nfs/dbraw/zinc/42/72/31/391427231.db2.gz AFHACKXZZSBVRU-NSHDSACASA-N 1 0 255.339 1.011 20 10 CDCDRO Cc1c2ccccc2n(C)c1CNC(=O)NCC[NH+](C)C ZINC000350069718 391594010 /nfs/dbraw/zinc/59/40/10/391594010.db2.gz GHTAKYDVTYGXSP-UHFFFAOYSA-N 1 0 288.395 1.848 20 10 CDCDRO COCCOCCC[NH2+]Cc1cc(OC)ccc1O ZINC000020192987 171059028 /nfs/dbraw/zinc/05/90/28/171059028.db2.gz IRYIJDGCYRDPBU-UHFFFAOYSA-N 1 0 269.341 1.544 20 10 CDCDRO CN(C(=O)Cc1ccc(N)cc1)C1CC[NH+](C)CC1 ZINC000022168297 171366760 /nfs/dbraw/zinc/36/67/60/171366760.db2.gz ILRWEMZLMRPVQT-UHFFFAOYSA-N 1 0 261.369 1.364 20 10 CDCDRO CS(=O)(=O)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000038047255 174056856 /nfs/dbraw/zinc/05/68/56/174056856.db2.gz VUGOCESRNLZETP-UHFFFAOYSA-N 1 0 277.773 1.570 20 10 CDCDRO COc1ccc(C[NH2+]CCCS(C)(=O)=O)cc1C ZINC000038047716 174057927 /nfs/dbraw/zinc/05/79/27/174057927.db2.gz ZUBYUXVCHFHBDW-UHFFFAOYSA-N 1 0 271.382 1.528 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c(O)c1 ZINC000186511341 262096205 /nfs/dbraw/zinc/09/62/05/262096205.db2.gz ASPVHCNDMYXJSC-NSHDSACASA-N 1 0 288.351 1.504 20 10 CDCDRO Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)c(O)c1O ZINC000272550381 263006493 /nfs/dbraw/zinc/00/64/93/263006493.db2.gz AUPFIJMSFJWYMZ-SNVBAGLBSA-N 1 0 266.341 1.476 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CC([C@@H]3CCOC3)C1)OCO2 ZINC000376020850 267931387 /nfs/dbraw/zinc/93/13/87/267931387.db2.gz HZFOVRUIWDAXNK-SNVBAGLBSA-N 1 0 277.320 1.589 20 10 CDCDRO O=C1NCCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226584387 329261586 /nfs/dbraw/zinc/26/15/86/329261586.db2.gz DVLROQNUOGMVHB-NSHDSACASA-N 1 0 252.289 1.290 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000187986608 329364431 /nfs/dbraw/zinc/36/44/31/329364431.db2.gz QEHRNRVTVRUSCJ-PWSUYJOCSA-N 1 0 251.326 1.651 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000527725126 330277440 /nfs/dbraw/zinc/27/74/40/330277440.db2.gz CVLOZCGGCYXCOW-UHFFFAOYSA-N 1 0 276.296 1.022 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(O)c1O ZINC000271324416 482834647 /nfs/dbraw/zinc/83/46/47/482834647.db2.gz YBUXKGJDRPLKHW-CHWSQXEVSA-N 1 0 290.363 1.763 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H]2CC(=O)N(C)C2)ccc1OC ZINC000263789272 520184956 /nfs/dbraw/zinc/18/49/56/520184956.db2.gz XMTNDIBJDSGRIV-AWEZNQCLSA-N 1 0 292.379 1.552 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N(C)C)c1 ZINC000191734238 521155038 /nfs/dbraw/zinc/15/50/38/521155038.db2.gz NDTLDQUZTMUCJW-JTQLQIEISA-N 1 0 266.341 1.357 20 10 CDCDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)CO ZINC000292339180 521292860 /nfs/dbraw/zinc/29/28/60/521292860.db2.gz WXAZPFGEXGESCD-SECBINFHSA-N 1 0 269.316 1.937 20 10 CDCDRO CCC[N@H+](CC(=O)N1CCNC1=O)Cc1ccccc1O ZINC000069009936 521535120 /nfs/dbraw/zinc/53/51/20/521535120.db2.gz IJOKYJLSPRHODV-UHFFFAOYSA-N 1 0 291.351 1.156 20 10 CDCDRO CCC[N@H+](CC(=O)NCCCOC)Cc1ccccc1O ZINC000076074352 521548675 /nfs/dbraw/zinc/54/86/75/521548675.db2.gz ATUHWIKXZIPBNN-UHFFFAOYSA-N 1 0 294.395 1.757 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000127916764 522182110 /nfs/dbraw/zinc/18/21/10/522182110.db2.gz NDZRWULFNHEITH-UHFFFAOYSA-N 1 0 297.406 1.865 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)C(C)(C)C)cc1OC ZINC000278736039 522781099 /nfs/dbraw/zinc/78/10/99/522781099.db2.gz QULFUZNQMKJGQQ-AWEZNQCLSA-N 1 0 283.368 1.906 20 10 CDCDRO COCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000044658344 523174461 /nfs/dbraw/zinc/17/44/61/523174461.db2.gz PZLFSVRYRSIHMW-UHFFFAOYSA-N 1 0 253.298 1.637 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000061374861 523603408 /nfs/dbraw/zinc/60/34/08/523603408.db2.gz YMJJDPWMSSZUIE-UHFFFAOYSA-N 1 0 265.401 1.420 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000264932762 523866032 /nfs/dbraw/zinc/86/60/32/523866032.db2.gz BMIRKQGTACWBBG-LLVKDONJSA-N 1 0 284.787 1.856 20 10 CDCDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880276 523968340 /nfs/dbraw/zinc/96/83/40/523968340.db2.gz FHTSLVNVUFITAI-JTQLQIEISA-N 1 0 294.351 1.515 20 10 CDCDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000276067075 524035398 /nfs/dbraw/zinc/03/53/98/524035398.db2.gz VTFBUXNXAMTLKB-FNORWQNLSA-N 1 0 290.363 1.712 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000093899019 524093464 /nfs/dbraw/zinc/09/34/64/524093464.db2.gz YDXALPJZYHLQJO-GFCCVEGCSA-N 1 0 264.369 1.823 20 10 CDCDRO C[C@H](CO)C[NH2+]Cc1cc(Br)ccc1O ZINC000163758063 524529525 /nfs/dbraw/zinc/52/95/25/524529525.db2.gz PQWJUNJNVXRPJU-QMMMGPOBSA-N 1 0 274.158 1.873 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1C ZINC000279618815 525322890 /nfs/dbraw/zinc/32/28/90/525322890.db2.gz ANCLENXOANTEPC-UHFFFAOYSA-N 1 0 283.393 1.676 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCCc2cnn(C)n2)c1 ZINC000292908919 525348698 /nfs/dbraw/zinc/34/86/98/525348698.db2.gz HEJNQFIYTZUSHV-UHFFFAOYSA-N 1 0 260.341 1.552 20 10 CDCDRO COc1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O ZINC000128082955 525947344 /nfs/dbraw/zinc/94/73/44/525947344.db2.gz GFIKYPMASIBFHZ-ZDUSSCGKSA-N 1 0 280.368 1.163 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000276857536 525951041 /nfs/dbraw/zinc/95/10/41/525951041.db2.gz WEUZTRZVPJEKGU-ZDUSSCGKSA-N 1 0 290.363 1.598 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCc1nccs1)OCO2 ZINC000060942186 526336414 /nfs/dbraw/zinc/33/64/14/526336414.db2.gz XEXOZWHFVZUIAE-UHFFFAOYSA-N 1 0 278.333 1.910 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000729535369 574814846 /nfs/dbraw/zinc/81/48/46/574814846.db2.gz QBLXCJGELOFLPV-MNOVXSKESA-N 1 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UYPTVZUURMOABA-AWEZNQCLSA-N 1 0 274.364 1.591 20 10 CDCDRO C[C@H]1COCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465948 576288000 /nfs/dbraw/zinc/28/80/00/576288000.db2.gz UEPULPRSCUDMFS-QMTHXVAHSA-N 1 0 279.336 1.286 20 10 CDCDRO CCC(=O)N1CCC[N@H+](Cc2c(O)cccc2OC)CC1 ZINC000768925351 576317542 /nfs/dbraw/zinc/31/75/42/576317542.db2.gz GIJXRIZFCJVVGG-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO COc1cccc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000769469157 576356924 /nfs/dbraw/zinc/35/69/24/576356924.db2.gz TZLHURJMYIVJNS-UHFFFAOYSA-N 1 0 292.379 1.878 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CC2(O)CCC2)cc1OC ZINC000761218315 576560810 /nfs/dbraw/zinc/56/08/10/576560810.db2.gz AJQZKWVHHFSETC-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(C)C2=O)cc1C ZINC000748242544 576902824 /nfs/dbraw/zinc/90/28/24/576902824.db2.gz PBTRYYWIRTTZIK-ZDUSSCGKSA-N 1 0 262.353 1.719 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756777041 577003788 /nfs/dbraw/zinc/00/37/88/577003788.db2.gz GAPWWPMTFYPQPD-WPRPVWTQSA-N 1 0 275.295 1.718 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC000753587870 577178452 /nfs/dbraw/zinc/17/84/52/577178452.db2.gz WQMLBWUAQBPJHY-UHFFFAOYSA-N 1 0 292.335 1.475 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)CC2CC2)c(O)c1OC ZINC000893209842 617465259 /nfs/dbraw/zinc/46/52/59/617465259.db2.gz IFHUNFAPDSQCAK-LBPRGKRZSA-N 1 0 281.352 1.660 20 10 CDCDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892093073 617474163 /nfs/dbraw/zinc/47/41/63/617474163.db2.gz MMJDBUMDURXAJK-MFKMUULPSA-N 1 0 275.352 1.415 20 10 CDCDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970838274 615121462 /nfs/dbraw/zinc/12/14/62/615121462.db2.gz VZPQKIADTMKPMB-GFCCVEGCSA-N 1 0 289.339 1.673 20 10 CDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000892199340 617546441 /nfs/dbraw/zinc/54/64/41/617546441.db2.gz MCNNFESQXSANSE-VWYCJHECSA-N 1 0 265.357 1.878 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H]1O ZINC000892242294 617573380 /nfs/dbraw/zinc/57/33/80/617573380.db2.gz PPCKTEROVREHOT-CMPLNLGQSA-N 1 0 281.352 1.612 20 10 CDCDRO C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000892261313 617596780 /nfs/dbraw/zinc/59/67/80/617596780.db2.gz LGMIZTFVYBCHTQ-NLTNOIMHSA-N 1 0 275.352 1.504 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@]2(C)CCOC2)cc1OC ZINC000776174536 617602660 /nfs/dbraw/zinc/60/26/60/617602660.db2.gz DXTXTPCXCBGAHF-OAHLLOKOSA-N 1 0 281.352 1.926 20 10 CDCDRO CC[N@H+](CC(=O)NC)Cc1ccc(N(C)C)cc1C ZINC000840911242 617619980 /nfs/dbraw/zinc/61/99/80/617619980.db2.gz YRZGHUIYGJHTLQ-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO C[NH2+]CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000891962502 617894719 /nfs/dbraw/zinc/89/47/19/617894719.db2.gz LMQFILZSVWGDOM-JTQLQIEISA-N 1 0 251.330 1.362 20 10 CDCDRO [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H](O)C1 ZINC000893946184 618212170 /nfs/dbraw/zinc/21/21/70/618212170.db2.gz MFDIXVBHLANFII-VIFPVBQESA-N 1 0 290.132 1.860 20 10 CDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000893947010 618213452 /nfs/dbraw/zinc/21/34/52/618213452.db2.gz GUPGDTFFZKAWJG-CYBMUJFWSA-N 1 0 292.379 1.810 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000893966609 618227262 /nfs/dbraw/zinc/22/72/62/618227262.db2.gz QVKPKBXYVOQSKI-GFCCVEGCSA-N 1 0 278.352 1.420 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)CC(F)F)c(O)c1OC ZINC000894037105 618308229 /nfs/dbraw/zinc/30/82/29/618308229.db2.gz WIVRQOIAIDGYLU-VIFPVBQESA-N 1 0 291.294 1.515 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)CCO)c1O ZINC000894309401 618578289 /nfs/dbraw/zinc/57/82/89/618578289.db2.gz JTFZEGVJMCBVHZ-JTQLQIEISA-N 1 0 253.342 1.817 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CN)CC2)cc1 ZINC000841066891 618680115 /nfs/dbraw/zinc/68/01/15/618680115.db2.gz RAMYIYWFMODXJR-LBPRGKRZSA-N 1 0 263.385 1.601 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1 ZINC000877693630 618701516 /nfs/dbraw/zinc/70/15/16/618701516.db2.gz MKNNOIYURWYVOO-HQJQHLMTSA-N 1 0 279.258 1.802 20 10 CDCDRO Cc1c[nH]cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298507 618701795 /nfs/dbraw/zinc/70/17/95/618701795.db2.gz NUKCNFTYJJZHHE-OAHLLOKOSA-N 1 0 286.379 1.819 20 10 CDCDRO O=[N+]([O-])CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000791055459 618743642 /nfs/dbraw/zinc/74/36/42/618743642.db2.gz UMAWIMKFSQGTCL-ZDUSSCGKSA-N 1 0 280.324 1.650 20 10 CDCDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894331269 618783846 /nfs/dbraw/zinc/78/38/46/618783846.db2.gz CRPRWMFFIXDHAQ-CYBMUJFWSA-N 1 0 292.379 1.810 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788266796 618916088 /nfs/dbraw/zinc/91/60/88/618916088.db2.gz BQXOGFDVNQMLQX-ZYHUDNBSSA-N 1 0 251.326 1.746 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cc(C)cc(OC)c1O ZINC000894666028 619008685 /nfs/dbraw/zinc/00/86/85/619008685.db2.gz GYKOYZJDVHFSPZ-UHFFFAOYSA-N 1 0 283.368 1.540 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)C[C@H](O)C2CC2)c1O ZINC000894776529 619045520 /nfs/dbraw/zinc/04/55/20/619045520.db2.gz HAMMPNHCSNJVLK-ZDUSSCGKSA-N 1 0 265.353 1.912 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H](C)O ZINC000894904459 619136450 /nfs/dbraw/zinc/13/64/50/619136450.db2.gz INHPUEDAHWJXMB-CMPLNLGQSA-N 1 0 253.342 1.958 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1O ZINC000895007910 619204964 /nfs/dbraw/zinc/20/49/64/619204964.db2.gz PHMFLVLNQFGAEC-LBPRGKRZSA-N 1 0 288.351 1.817 20 10 CDCDRO Cc1ccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c(O)c1 ZINC000895123544 619317723 /nfs/dbraw/zinc/31/77/23/619317723.db2.gz YMDXJKMWBXPYIQ-GRYCIOLGSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC(C)=NO2)c1O ZINC000895299689 619529615 /nfs/dbraw/zinc/52/96/15/619529615.db2.gz MMRYWLOHLOXZLK-LBPRGKRZSA-N 1 0 264.325 1.964 20 10 CDCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000895319483 619552275 /nfs/dbraw/zinc/55/22/75/619552275.db2.gz YAPHHZORXHPTDH-NSHDSACASA-N 1 0 268.744 1.660 20 10 CDCDRO COCC1C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000895971926 619929953 /nfs/dbraw/zinc/92/99/53/619929953.db2.gz XOXXCUQUEASMES-UHFFFAOYSA-N 1 0 252.333 1.970 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1=O ZINC000896729116 620213765 /nfs/dbraw/zinc/21/37/65/620213765.db2.gz LCMCEJFYTNEJIN-ZDUSSCGKSA-N 1 0 292.379 1.810 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC000897681279 621069868 /nfs/dbraw/zinc/06/98/68/621069868.db2.gz ZXQWNNGKNCBOKK-GUYCJALGSA-N 1 0 290.407 1.460 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1c(C)cccc1O ZINC000897709360 621082266 /nfs/dbraw/zinc/08/22/66/621082266.db2.gz NWNVZCDBFXFZTH-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc(OC)c(OC)cc1O ZINC000897709488 621082292 /nfs/dbraw/zinc/08/22/92/621082292.db2.gz FTPZLCLGHHKQQX-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO Oc1c(F)cccc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000841074026 625214053 /nfs/dbraw/zinc/21/40/53/625214053.db2.gz BBBUPFXDZXQSIM-SNVBAGLBSA-N 1 0 260.259 1.618 20 10 CDCDRO C[C@H](Cc1c[nH]cn1)C(=O)NCCc1ccc(N)cc1 ZINC000911782455 629499423 /nfs/dbraw/zinc/49/94/23/629499423.db2.gz JMVHEHXELGLTBU-LLVKDONJSA-N 1 0 272.352 1.529 20 10 CDCDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000911783039 629500333 /nfs/dbraw/zinc/50/03/33/629500333.db2.gz OYVKMDNEEZLCQI-SMDDNHRTSA-N 1 0 263.385 1.691 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000152032397 630856752 /nfs/dbraw/zinc/85/67/52/630856752.db2.gz ZTOQUVQGCXKLPX-UHFFFAOYSA-N 1 0 281.375 1.898 20 10 CDCDRO CN(Cc1ccccc1O)C(=S)NC1CC[NH+](C)CC1 ZINC000920310421 632750736 /nfs/dbraw/zinc/75/07/36/632750736.db2.gz FVNLNXVMWXRFIB-UHFFFAOYSA-N 1 0 293.436 1.793 20 10 CDCDRO COc1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)c(O)c1 ZINC000211395930 1158515890 /nfs/dbraw/zinc/51/58/90/1158515890.db2.gz LHRHOKJWQILMSY-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC000250067182 1158801534 /nfs/dbraw/zinc/80/15/34/1158801534.db2.gz NPCMFAJIIIHOTE-ZWNOBZJWSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1ccc(N2CCN(c3nccnc3C[NH3+])CC2)cc1 ZINC000387304390 1161400851 /nfs/dbraw/zinc/40/08/51/1161400851.db2.gz MWEAEDFHQYUCJG-UHFFFAOYSA-N 1 0 299.378 1.271 20 10 CDCDRO CC(C)(C)OC[C@H](O)C[NH2+]Cc1ccccc1O ZINC000228414073 1165587274 /nfs/dbraw/zinc/58/72/74/1165587274.db2.gz VHJHSCLMAJMLPT-GFCCVEGCSA-N 1 0 253.342 1.658 20 10 CDCDRO O=C(NCc1ccccc1O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000228422182 1166502984 /nfs/dbraw/zinc/50/29/84/1166502984.db2.gz PVPYNWOGTUGFCP-OAHLLOKOSA-N 1 0 282.343 1.723 20 10 CDCDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1O ZINC000228423204 1166504486 /nfs/dbraw/zinc/50/44/86/1166504486.db2.gz MVGIHIBASWXJKC-LBPRGKRZSA-N 1 0 250.342 1.772 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000049838052 1166595470 /nfs/dbraw/zinc/59/54/70/1166595470.db2.gz OGFFXELGHMOIDC-UHFFFAOYSA-N 1 0 250.342 1.200 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC001320915270 1166646245 /nfs/dbraw/zinc/64/62/45/1166646245.db2.gz CVZSHHJVIUCLNF-OAHLLOKOSA-N 1 0 263.337 1.748 20 10 CDCDRO C[C@H](NC(=O)N1CC[NH2+][C@@H]2C[C@@H]21)c1ccc(N(C)C)cc1 ZINC001576201750 1171356583 /nfs/dbraw/zinc/35/65/83/1171356583.db2.gz YLXGMTNAYUEWIR-GLQYFDAESA-N 1 0 288.395 1.569 20 10 CDCDRO CN1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876509168 1165858467 /nfs/dbraw/zinc/85/84/67/1165858467.db2.gz BEAITXCNICUSON-UHFFFAOYSA-N 1 0 289.423 1.395 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000126352772 1165977828 /nfs/dbraw/zinc/97/78/28/1165977828.db2.gz LMNDCWGFJQLEMB-JTQLQIEISA-N 1 0 264.325 1.169 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000825942535 1165983705 /nfs/dbraw/zinc/98/37/05/1165983705.db2.gz BXMWEJWMQLRBSY-HNNXBMFYSA-N 1 0 279.359 1.413 20 10 CDCDRO Cc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)c(O)c1 ZINC000877361222 1166023633 /nfs/dbraw/zinc/02/36/33/1166023633.db2.gz RSALFTVEZBYPIM-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC000877474572 1166044883 /nfs/dbraw/zinc/04/48/83/1166044883.db2.gz BHNWJCHZKJBNGG-CQSZACIVSA-N 1 0 283.368 1.204 20 10 CDCDRO Cc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c(O)c1 ZINC000877489168 1166046533 /nfs/dbraw/zinc/04/65/33/1166046533.db2.gz RJZYHKOQNCHJND-UHFFFAOYSA-N 1 0 283.393 1.758 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@H](CO)COC(C)C)c(O)c1 ZINC000877531487 1166052664 /nfs/dbraw/zinc/05/26/64/1166052664.db2.gz NXXJHRUGVYLXPD-AWEZNQCLSA-N 1 0 267.369 1.918 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccccc1O ZINC000879648620 1166392401 /nfs/dbraw/zinc/39/24/01/1166392401.db2.gz WOHUFMUJIDUHGN-LLVKDONJSA-N 1 0 262.353 1.911 20 10 CDCDRO CCN(C)c1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000879970958 1166432374 /nfs/dbraw/zinc/43/23/74/1166432374.db2.gz JEYNIEYQXPQYDP-UHFFFAOYSA-N 1 0 292.423 1.710 20 10 CDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877667382 796471207 /nfs/dbraw/zinc/47/12/07/796471207.db2.gz OOWXODYHXKPMTO-GASCZTMLSA-N 1 0 290.407 1.508 20 10 CDCDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000129426873 796537610 /nfs/dbraw/zinc/53/76/10/796537610.db2.gz KPDXKJKVNJPITP-HZPDHXFCSA-N 1 0 290.407 1.772 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848567003 796549880 /nfs/dbraw/zinc/54/98/80/796549880.db2.gz NWOWBHOQCBAGGU-NSHDSACASA-N 1 0 288.351 1.176 20 10 CDCDRO CS[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299671 796789210 /nfs/dbraw/zinc/78/92/10/796789210.db2.gz FVCCBEPLBHONDP-ZWNOBZJWSA-N 1 0 281.425 1.620 20 10 CDCDRO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648702 796800427 /nfs/dbraw/zinc/80/04/27/796800427.db2.gz ZRROAXMMZGCSMF-LLVKDONJSA-N 1 0 294.351 1.064 20 10 CDCDRO Oc1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1O ZINC000841491163 796814429 /nfs/dbraw/zinc/81/44/29/796814429.db2.gz KKYBULMCQBIWGO-UHFFFAOYSA-N 1 0 277.349 1.631 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000841652775 796822430 /nfs/dbraw/zinc/82/24/30/796822430.db2.gz GAWAKTAYSHQTAS-CYBMUJFWSA-N 1 0 276.384 1.243 20 10 CDCDRO COc1ccc(N2CCN(CCC[NH3+])CC2)cc1F ZINC000082573847 796844517 /nfs/dbraw/zinc/84/45/17/796844517.db2.gz KAKJRZCWYLUHGZ-UHFFFAOYSA-N 1 0 267.348 1.305 20 10 CDCDRO COCCOCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858108984 796863260 /nfs/dbraw/zinc/86/32/60/796863260.db2.gz KOUFOTUQBDEWTJ-UHFFFAOYSA-N 1 0 288.338 1.783 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000877489021 797042911 /nfs/dbraw/zinc/04/29/11/797042911.db2.gz JPMCHYNYLPWVFS-RISCZKNCSA-N 1 0 251.326 1.330 20 10 CDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000067504768 797087076 /nfs/dbraw/zinc/08/70/76/797087076.db2.gz ROJZWRRQVXGYCQ-LLVKDONJSA-N 1 0 258.325 1.391 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818967698 797178030 /nfs/dbraw/zinc/17/80/30/797178030.db2.gz ZJLHGSWBBCEJJV-UPJWGTAASA-N 1 0 296.386 1.910 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC[C@]2(O)CCCOC2)cc1 ZINC000846109915 797194251 /nfs/dbraw/zinc/19/42/51/797194251.db2.gz KOZDDPJKZQPPLK-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c(O)c1 ZINC000877304780 797303541 /nfs/dbraw/zinc/30/35/41/797303541.db2.gz OETMHJRTQYJGKL-ZDUSSCGKSA-N 1 0 283.393 1.758 20 10 CDCDRO CN(C)c1ccc(Cn2cc(C3CC[NH2+]CC3)nn2)cc1 ZINC000881272150 797358475 /nfs/dbraw/zinc/35/84/75/797358475.db2.gz OBVHBUPFRAIZNL-UHFFFAOYSA-N 1 0 285.395 1.859 20 10 CDCDRO CCOC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700821210 797478374 /nfs/dbraw/zinc/47/83/74/797478374.db2.gz VSIYCBXTSNKDTK-NSHDSACASA-N 1 0 262.353 1.850 20 10 CDCDRO Oc1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000220220154 797659442 /nfs/dbraw/zinc/65/94/42/797659442.db2.gz PPLJFYMCVZVDHQ-PHIMTYICSA-N 1 0 297.196 1.806 20 10 CDCDRO COC[C@]1(CN[C@H](C)c2cc(F)ccc2O)CCC[NH2+]1 ZINC000817974928 797704338 /nfs/dbraw/zinc/70/43/38/797704338.db2.gz OKKPUWCRXDYFPX-IAQYHMDHSA-N 1 0 282.359 1.951 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCS(C)(=O)=O ZINC000840932138 797707509 /nfs/dbraw/zinc/70/75/09/797707509.db2.gz NRMFFWPMCFQOGL-UHFFFAOYSA-N 1 0 284.425 1.585 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000788298550 797758349 /nfs/dbraw/zinc/75/83/49/797758349.db2.gz MAAVQOYQBZUBAM-ZWNOBZJWSA-N 1 0 278.352 1.357 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C(=O)N(C)OC)cc1C ZINC000858324606 797812157 /nfs/dbraw/zinc/81/21/57/797812157.db2.gz BODWXQFNWVXKIZ-LLVKDONJSA-N 1 0 266.341 1.502 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)cc1OC ZINC000857062307 797857261 /nfs/dbraw/zinc/85/72/61/797857261.db2.gz ZWGXQNQBCNUXFN-WCQYABFASA-N 1 0 295.379 1.860 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCCNC2=O)cc1C ZINC000037282812 797869154 /nfs/dbraw/zinc/86/91/54/797869154.db2.gz WTGWLBOGOSCAEG-CYBMUJFWSA-N 1 0 262.353 1.762 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(O)c1 ZINC000795581236 797874334 /nfs/dbraw/zinc/87/43/34/797874334.db2.gz GSIKJWVKZDNSRI-KBPBESRZSA-N 1 0 295.379 1.526 20 10 CDCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ncn1 ZINC000846663720 798062626 /nfs/dbraw/zinc/06/26/26/798062626.db2.gz MSGQUSOSQVCRJW-AWEZNQCLSA-N 1 0 299.378 1.281 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[NH2+]CCOC1 ZINC000925497561 1166690105 /nfs/dbraw/zinc/69/01/05/1166690105.db2.gz HSUUWWRBSQXFJS-CQSZACIVSA-N 1 0 263.385 1.139 20 10 CDCDRO CC(C)CNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801564 912382439 /nfs/dbraw/zinc/38/24/39/912382439.db2.gz DURKOGLGAUASQC-UHFFFAOYSA-N 1 0 275.396 1.670 20 10 CDCDRO Cn1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000230882728 912397957 /nfs/dbraw/zinc/39/79/57/912397957.db2.gz PQLLSBUROJWEDY-UHFFFAOYSA-N 1 0 257.337 1.687 20 10 CDCDRO Cc1cc(Nc2cc(S(C)(=O)=O)ccc2O)cc(C)[nH+]1 ZINC001176057959 913943824 /nfs/dbraw/zinc/94/38/24/913943824.db2.gz UYLTVNKTMAGRHM-UHFFFAOYSA-N 1 0 292.360 1.973 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CNC(=O)C1 ZINC000398423858 900201103 /nfs/dbraw/zinc/20/11/03/900201103.db2.gz WIJTZMJNEZCAAD-GRYCIOLGSA-N 1 0 274.364 1.975 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCCO1 ZINC000313344135 900382072 /nfs/dbraw/zinc/38/20/72/900382072.db2.gz CJMLQTXLUHNSQQ-GFCCVEGCSA-N 1 0 270.760 1.595 20 10 CDCDRO CC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000310862616 907817382 /nfs/dbraw/zinc/81/73/82/907817382.db2.gz RVZCHUAAJYFUFS-SNVBAGLBSA-N 1 0 253.298 1.636 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000697642420 908916388 /nfs/dbraw/zinc/91/63/88/908916388.db2.gz NMRWLLRYTASUGZ-JTQLQIEISA-N 1 0 271.382 1.477 20 10 CDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC001172028369 911144851 /nfs/dbraw/zinc/14/48/51/911144851.db2.gz HXOZKKLRRLHMNY-CQSZACIVSA-N 1 0 274.364 1.722 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000069141384 915777631 /nfs/dbraw/zinc/77/76/31/915777631.db2.gz SDZDVCFVEXZGSS-MNOVXSKESA-N 1 0 299.392 1.629 20 10 CDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2c(O)cccc2Cl)C1 ZINC001206422190 916372499 /nfs/dbraw/zinc/37/24/99/916372499.db2.gz CPIZFODHJOMAKD-BDAKNGLRSA-N 1 0 258.724 1.917 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@]1(C)O ZINC001204275716 916505182 /nfs/dbraw/zinc/50/51/82/916505182.db2.gz AAGLTAIDMOBYCJ-YGRLFVJLSA-N 1 0 251.326 1.691 20 10 CDCDRO Cc1cc(F)cc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1O ZINC001206443883 916888306 /nfs/dbraw/zinc/88/83/06/916888306.db2.gz ABXALNSYOPNPIM-VXGBXAGGSA-N 1 0 256.296 1.711 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000828667023 936382307 /nfs/dbraw/zinc/38/23/07/936382307.db2.gz LTWORGPLZSJPQC-LKFCYVNXSA-N 1 0 282.315 1.280 20 10 CDCDRO COc1cc(C)c(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206447958 916998071 /nfs/dbraw/zinc/99/80/71/916998071.db2.gz YWTKDHRKINFDGI-WDEREUQCSA-N 1 0 268.332 1.580 20 10 CDCDRO [NH3+]CCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597618 936464670 /nfs/dbraw/zinc/46/46/70/936464670.db2.gz QSTWIEZXQNAGQO-UHFFFAOYSA-N 1 0 262.353 1.626 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000827119120 936491270 /nfs/dbraw/zinc/49/12/70/936491270.db2.gz IJMCOAAIANOLKE-AWEZNQCLSA-N 1 0 262.353 1.299 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827131861 936492715 /nfs/dbraw/zinc/49/27/15/936492715.db2.gz DWQNNRWXMDRRSY-OCCSQVGLSA-N 1 0 274.364 1.801 20 10 CDCDRO Cc1c(CN2CC(=O)N[C@H](C)C2)c2ccccc2n1C ZINC001138252288 936501715 /nfs/dbraw/zinc/50/17/15/936501715.db2.gz APHRNLVDQFCPSF-LLVKDONJSA-N 1 0 271.364 1.807 20 10 CDCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000152860746 918432852 /nfs/dbraw/zinc/43/28/52/918432852.db2.gz GOJCTGFNMRTMIY-AWEZNQCLSA-N 1 0 260.337 1.332 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2cc[nH]c2)cc1C ZINC001127916092 919027381 /nfs/dbraw/zinc/02/73/81/919027381.db2.gz UNFMZUSFXZVEFW-UHFFFAOYSA-N 1 0 287.363 1.851 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001203586115 919063234 /nfs/dbraw/zinc/06/32/34/919063234.db2.gz YOIRGMUNUHLQDX-GHMZBOCLSA-N 1 0 255.289 1.306 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H](CO)CC2CC2)cc1OC ZINC000827359881 936589077 /nfs/dbraw/zinc/58/90/77/936589077.db2.gz UYOXTTKFGPVCEA-LBPRGKRZSA-N 1 0 295.379 1.908 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CC[C@H](C)O)CC2)cc1 ZINC000827468540 936594528 /nfs/dbraw/zinc/59/45/28/936594528.db2.gz UNUDGRCKONSSAL-AWEZNQCLSA-N 1 0 278.396 1.978 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@]1(C)CO ZINC000827700425 936604528 /nfs/dbraw/zinc/60/45/28/936604528.db2.gz SQDMLJFXLHUSQX-MEBBXXQBSA-N 1 0 279.336 1.571 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(C=O)CC1 ZINC000827867040 936611276 /nfs/dbraw/zinc/61/12/76/936611276.db2.gz APVLMRMRLGLETL-UHFFFAOYSA-N 1 0 275.396 1.725 20 10 CDCDRO COc1cc(CN2CC3(COC3)C2)cc(C[NH+](C)C)c1O ZINC001139253315 936611778 /nfs/dbraw/zinc/61/17/78/936611778.db2.gz QKUYMNHDAUXFEO-UHFFFAOYSA-N 1 0 292.379 1.295 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@@H+]3C)C2=O)cc1 ZINC001273526508 920157208 /nfs/dbraw/zinc/15/72/08/920157208.db2.gz GWOHQSYREJZRON-KRWDZBQOSA-N 1 0 287.407 1.949 20 10 CDCDRO COCC(COC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000388504411 936643319 /nfs/dbraw/zinc/64/33/19/936643319.db2.gz NRFSNDHJRJYJRO-VIFPVBQESA-N 1 0 257.305 1.843 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000389538336 936647359 /nfs/dbraw/zinc/64/73/59/936647359.db2.gz AVFUUGNKXMIVNQ-CYBMUJFWSA-N 1 0 262.357 1.875 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1cc(F)ccc1O ZINC001140055083 936673591 /nfs/dbraw/zinc/67/35/91/936673591.db2.gz HPVBVTKDDVJZNB-UHFFFAOYSA-N 1 0 255.289 1.916 20 10 CDCDRO Oc1cc(Cl)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC001140463322 936712436 /nfs/dbraw/zinc/71/24/36/936712436.db2.gz ZYBJJPRKRSPZRP-LLVKDONJSA-N 1 0 257.717 1.239 20 10 CDCDRO O=C1NCC[C@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140462813 936712504 /nfs/dbraw/zinc/71/25/04/936712504.db2.gz LJWOUAIUYOIHJX-CQSZACIVSA-N 1 0 280.755 1.758 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140465384 936712537 /nfs/dbraw/zinc/71/25/37/936712537.db2.gz LECPYTPCEIUFBJ-UHFFFAOYSA-N 1 0 270.760 1.956 20 10 CDCDRO C[NH+]1CC2(CN(Cc3ccc(Cl)cc3O)C2)C1 ZINC001140468458 936713099 /nfs/dbraw/zinc/71/30/99/936713099.db2.gz 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COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(O)c1 ZINC000841981977 937026594 /nfs/dbraw/zinc/02/65/94/937026594.db2.gz LWPYHWQABTZFCO-NWDGAFQWSA-N 1 0 293.367 1.470 20 10 CDCDRO COc1c(O)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000843049207 937106858 /nfs/dbraw/zinc/10/68/58/937106858.db2.gz JMDMXOCAVYBGGN-NXEZZACHSA-N 1 0 295.339 1.491 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000843049542 937107034 /nfs/dbraw/zinc/10/70/34/937107034.db2.gz PITRSTUAFJCBKV-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO COc1ccc(CNC(=O)NCC2([NH3+])CCCC2)c(O)c1 ZINC000851672172 927600606 /nfs/dbraw/zinc/60/06/06/927600606.db2.gz YFOHWTXCVNTMMF-UHFFFAOYSA-N 1 0 293.367 1.472 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2COCCO2)cc1C ZINC000853560898 928045844 /nfs/dbraw/zinc/04/58/44/928045844.db2.gz ZXLLNVVBGDZQIV-AWEZNQCLSA-N 1 0 265.353 1.856 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)cc1C ZINC000856809786 928628680 /nfs/dbraw/zinc/62/86/80/928628680.db2.gz 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ZINC000130956760 930138951 /nfs/dbraw/zinc/13/89/51/930138951.db2.gz PIBQNJTWKWXFQG-MLCYQJTMSA-N 1 0 271.382 1.600 20 10 CDCDRO COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000132182532 930226982 /nfs/dbraw/zinc/22/69/82/930226982.db2.gz PUHKSQSXQAQELW-OLZOCXBDSA-N 1 0 262.353 1.727 20 10 CDCDRO NC(=O)CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000817585241 930556173 /nfs/dbraw/zinc/55/61/73/930556173.db2.gz DGPBWORCJXMAHP-NSHDSACASA-N 1 0 260.337 1.625 20 10 CDCDRO CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000817898799 930621783 /nfs/dbraw/zinc/62/17/83/930621783.db2.gz BGOIVNVAAANTTP-CHWSQXEVSA-N 1 0 251.349 1.861 20 10 CDCDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000817894916 930621855 /nfs/dbraw/zinc/62/18/55/930621855.db2.gz OWCDFCOVHGJGKK-JKSUJKDBSA-N 1 0 275.396 1.493 20 10 CDCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cnccc1N ZINC000817957073 930644721 /nfs/dbraw/zinc/64/47/21/930644721.db2.gz IHHATKFPBDVEFD-NSHDSACASA-N 1 0 256.353 1.970 20 10 CDCDRO Nc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000817958843 930647022 /nfs/dbraw/zinc/64/70/22/930647022.db2.gz ZOEIOAIPAOSHKF-JKSUJKDBSA-N 1 0 275.396 1.168 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2CC[C@H]2O)ccc1OC ZINC000818231738 930686939 /nfs/dbraw/zinc/68/69/39/930686939.db2.gz UEHDEUFMXOFMFP-ZIAGYGMSSA-N 1 0 265.353 1.845 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000136462466 930785684 /nfs/dbraw/zinc/78/56/84/930785684.db2.gz JJWCLSSHSICZSB-ZDUSSCGKSA-N 1 0 294.420 1.788 20 10 CDCDRO CC(C)(C)OC[C@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001253476064 930789610 /nfs/dbraw/zinc/78/96/10/930789610.db2.gz DINAETUQBZSXHD-LLVKDONJSA-N 1 0 297.351 1.046 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CCC[NH3+])c1 ZINC000828667531 931340978 /nfs/dbraw/zinc/34/09/78/931340978.db2.gz SATFOWJXEKUDDB-SECBINFHSA-N 1 0 252.314 1.317 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc4c(cc3O)OCO4)C[C@@H]21 ZINC000824892727 931486140 /nfs/dbraw/zinc/48/61/40/931486140.db2.gz AHJMPNHVWVFJBE-PWSUYJOCSA-N 1 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/nfs/dbraw/zinc/88/08/44/931880844.db2.gz XXJCRSCPNABEMM-UHFFFAOYSA-N 1 0 289.335 1.837 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2(CO)COC2)c1O ZINC000846154623 931982992 /nfs/dbraw/zinc/98/29/92/931982992.db2.gz BPWXVFQHAWCANH-JTQLQIEISA-N 1 0 267.325 1.060 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000846166589 931983577 /nfs/dbraw/zinc/98/35/77/931983577.db2.gz AKAORRAZTRXVBF-XQQFMLRXSA-N 1 0 295.379 1.696 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)c1O ZINC000846143220 931986158 /nfs/dbraw/zinc/98/61/58/931986158.db2.gz CTPXOLGUWCCVMB-WDEREUQCSA-N 1 0 250.342 1.756 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC2(O)CCC2)c1O ZINC000846147797 931986793 /nfs/dbraw/zinc/98/67/93/931986793.db2.gz WKNHUQJYIDECRA-SNVBAGLBSA-N 1 0 251.326 1.966 20 10 CDCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC000846209717 931988024 /nfs/dbraw/zinc/98/80/24/931988024.db2.gz SMKXFTCBTJBBKZ-RYUDHWBXSA-N 1 0 262.353 1.911 20 10 CDCDRO NC(=[NH2+])Nc1ccc(C(=O)NCc2ccccc2O)cc1 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CDCDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001327480707 954900432 /nfs/dbraw/zinc/90/04/32/954900432.db2.gz MVIQJCAFENKAQK-CHWSQXEVSA-N 1 0 292.427 1.968 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC001308773951 956579140 /nfs/dbraw/zinc/57/91/40/956579140.db2.gz CKMWRYWQOGLKCR-RISCZKNCSA-N 1 0 262.353 1.537 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)c1 ZINC001332239345 957488447 /nfs/dbraw/zinc/48/84/47/957488447.db2.gz TYAFXYUEULTTDA-XYDQJSOLSA-N 1 0 276.336 1.186 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC001332496647 957592762 /nfs/dbraw/zinc/59/27/62/957592762.db2.gz GRNGZOPASMHFNC-JSGCOSHPSA-N 1 0 274.368 1.008 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(O)c1 ZINC001594350338 958346427 /nfs/dbraw/zinc/34/64/27/958346427.db2.gz ZKYBRBKFOFIKEH-GFCCVEGCSA-N 1 0 292.379 1.900 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC001321069450 959571806 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ZINC000849009174 969402146 /nfs/dbraw/zinc/40/21/46/969402146.db2.gz IDRKGNVXCRPQIA-OAHLLOKOSA-N 1 0 290.411 1.854 20 10 CDCDRO COc1c(O)c(CN(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000849350065 969939925 /nfs/dbraw/zinc/93/99/25/969939925.db2.gz JLHWJPWCTXYADV-UHFFFAOYSA-N 1 0 283.328 1.478 20 10 CDCDRO C[C@@H]1CN(Cc2c(O)ccc(F)c2Cl)C[C@H]1[NH3+] ZINC001206075795 1163622220 /nfs/dbraw/zinc/62/22/20/1163622220.db2.gz YQXKFSKPJIHZQH-GMSGAONNSA-N 1 0 258.724 1.964 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135533 282290781 /nfs/dbraw/zinc/29/07/81/282290781.db2.gz DITLMUNHQLVVQO-ZDUSSCGKSA-N 1 0 282.409 1.419 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000187175512 290757410 /nfs/dbraw/zinc/75/74/10/290757410.db2.gz FXJXIKFEDOAVRF-QMMMGPOBSA-N 1 0 292.788 1.245 20 10 CDCDRO C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[N@H+](C)C1CC1 ZINC000181029796 357304853 /nfs/dbraw/zinc/30/48/53/357304853.db2.gz YSDMKGYLYUXTBF-VUQUXZKVSA-N 1 0 290.363 1.710 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000180231573 357253918 /nfs/dbraw/zinc/25/39/18/357253918.db2.gz ZPJHVNSGMOZGQU-CYBMUJFWSA-N 1 0 294.370 1.685 20 10 CDCDRO Cc1ccc(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000188747249 357933414 /nfs/dbraw/zinc/93/34/14/357933414.db2.gz IHXUCYMHJGJQSH-AWEZNQCLSA-N 1 0 292.423 1.978 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000370905060 359113022 /nfs/dbraw/zinc/11/30/22/359113022.db2.gz MZVDEAZNKLLFHJ-OAHLLOKOSA-N 1 0 299.422 1.855 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000277588876 366533832 /nfs/dbraw/zinc/53/38/32/366533832.db2.gz UQUXAIGDQYQMCE-SGTLLEGYSA-N 1 0 267.394 1.901 20 10 CDCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000235743374 361168102 /nfs/dbraw/zinc/16/81/02/361168102.db2.gz HQOGSXGXQHOMQC-ZDUSSCGKSA-N 1 0 252.289 1.229 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000179023422 364976551 /nfs/dbraw/zinc/97/65/51/364976551.db2.gz JNYAJMKUSVLNNW-AWEZNQCLSA-N 1 0 267.325 1.032 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c(O)c1 ZINC000271395372 364981718 /nfs/dbraw/zinc/98/17/18/364981718.db2.gz USGXIQQEMQVBPJ-GFCCVEGCSA-N 1 0 293.367 1.424 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1O ZINC000179887394 364998861 /nfs/dbraw/zinc/99/88/61/364998861.db2.gz MZMOOEWVPCBUKZ-MRVPVSSYSA-N 1 0 276.258 1.721 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC2(O)CCOCC2)cc1OC ZINC000271834832 365001006 /nfs/dbraw/zinc/00/10/06/365001006.db2.gz FQHVAEWRDSWTSP-UHFFFAOYSA-N 1 0 297.351 1.041 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272247679 365150096 /nfs/dbraw/zinc/15/00/96/365150096.db2.gz HRUIFLZJBPWCQP-SNVBAGLBSA-N 1 0 252.289 1.229 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000638132994 368533626 /nfs/dbraw/zinc/53/36/26/368533626.db2.gz POLAPTCNQBSWAL-NSHDSACASA-N 1 0 277.368 1.476 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnnn2C)c(O)c1C ZINC000287133945 369097632 /nfs/dbraw/zinc/09/76/32/369097632.db2.gz AHJHJKJCKYIYLQ-LLVKDONJSA-N 1 0 260.341 1.988 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297933705 372038184 /nfs/dbraw/zinc/03/81/84/372038184.db2.gz XTNNISBDQUVVSW-UONOGXRCSA-N 1 0 276.380 1.690 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC000092764408 390896650 /nfs/dbraw/zinc/89/66/50/390896650.db2.gz OCQFVQXARGAINP-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CCO)CCOC)c1 ZINC000093006133 390898884 /nfs/dbraw/zinc/89/88/84/390898884.db2.gz RXVUHWKDYZTOGX-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO COc1cccc(CN2CCNC(=O)[C@H]2C(C)C)c1O ZINC000093055237 390899455 /nfs/dbraw/zinc/89/94/55/390899455.db2.gz PTDWACWOOKWEGD-CYBMUJFWSA-N 1 0 278.352 1.357 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCNC(=O)CC2)c1O ZINC000093101638 390900004 /nfs/dbraw/zinc/90/00/04/390900004.db2.gz YFNJUMOTUBIRQH-UHFFFAOYSA-N 1 0 264.325 1.113 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093361175 390901911 /nfs/dbraw/zinc/90/19/11/390901911.db2.gz NZNRXDVFWFHBNM-GFCCVEGCSA-N 1 0 262.353 1.659 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000373739385 391130152 /nfs/dbraw/zinc/13/01/52/391130152.db2.gz XFYHGNGIIRHNGN-WHOFXGATSA-N 1 0 274.364 1.786 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374275148 391156848 /nfs/dbraw/zinc/15/68/48/391156848.db2.gz SKVWCNSCPFIBPS-CALCHBBNSA-N 1 0 288.391 1.886 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179570757 391211853 /nfs/dbraw/zinc/21/18/53/391211853.db2.gz LTMQTICRYRTMTF-CYBMUJFWSA-N 1 0 258.325 1.821 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CO)C2)cc1OC ZINC000183371075 391263617 /nfs/dbraw/zinc/26/36/17/391263617.db2.gz FLQLVUVKFIQDJO-NSHDSACASA-N 1 0 281.352 1.614 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1 ZINC000289803330 391618638 /nfs/dbraw/zinc/61/86/38/391618638.db2.gz SMZBJAYMUGCREN-GDBMZVCRSA-N 1 0 290.407 1.996 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000154573788 261092775 /nfs/dbraw/zinc/09/27/75/261092775.db2.gz UIJNPTSTSYGWGZ-SNVBAGLBSA-N 1 0 265.309 1.325 20 10 CDCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000155417736 261101565 /nfs/dbraw/zinc/10/15/65/261101565.db2.gz NASYNRVELQKRSA-JQWIXIFHSA-N 1 0 279.336 1.856 20 10 CDCDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c(C)n1-c1ccccn1 ZINC000160062325 261203458 /nfs/dbraw/zinc/20/34/58/261203458.db2.gz CVKPLUQXXFLUTD-UHFFFAOYSA-N 1 0 286.379 1.956 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000162067440 261267649 /nfs/dbraw/zinc/26/76/49/261267649.db2.gz PQFOMVNKTCTMDU-LLVKDONJSA-N 1 0 264.325 1.241 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000105993674 261363997 /nfs/dbraw/zinc/36/39/97/261363997.db2.gz OXBSJELCBIZHRG-UHFFFAOYSA-N 1 0 292.335 1.175 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C)OCCO2)c1 ZINC000186211700 262084392 /nfs/dbraw/zinc/08/43/92/262084392.db2.gz XSIPPWRIAQPBAA-SNVBAGLBSA-N 1 0 267.325 1.814 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCCNS(C)(=O)=O)c(O)c1 ZINC000184921247 262300099 /nfs/dbraw/zinc/30/00/99/262300099.db2.gz OHHHHZNMPRMZOD-NSHDSACASA-N 1 0 286.397 1.291 20 10 CDCDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)C[NH+]1CCCC1 ZINC000059930900 262390843 /nfs/dbraw/zinc/39/08/43/262390843.db2.gz ZBZUCCCFZDNQKZ-ZDUSSCGKSA-N 1 0 275.396 1.659 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C[NH3+])OC ZINC000290053505 263114372 /nfs/dbraw/zinc/11/43/72/263114372.db2.gz UEHGLHIJPNZTON-ZDUSSCGKSA-N 1 0 266.341 1.105 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(F)ccc1O ZINC000530226676 328718339 /nfs/dbraw/zinc/71/83/39/328718339.db2.gz PTXZDPBLSVSORU-KOLCDFICSA-N 1 0 254.305 1.170 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000693553983 1159097877 /nfs/dbraw/zinc/09/78/77/1159097877.db2.gz XBBJKYBIHAPMKO-OKILXGFUSA-N 1 0 275.396 1.838 20 10 CDCDRO CSC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000217858297 330482858 /nfs/dbraw/zinc/48/28/58/330482858.db2.gz WQYMNGBCINJMAY-ZDUSSCGKSA-N 1 0 285.365 1.325 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCN2C)c1O ZINC000227440395 333282893 /nfs/dbraw/zinc/28/28/93/333282893.db2.gz IZVPVKSOGGRFCB-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1COCCN1 ZINC000530181036 333527179 /nfs/dbraw/zinc/52/71/79/333527179.db2.gz JEFXMYJYIMAFML-LLVKDONJSA-N 1 0 256.733 1.124 20 10 CDCDRO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000273575690 334767349 /nfs/dbraw/zinc/76/73/49/334767349.db2.gz LTBFPRWHQJXCGX-NSHDSACASA-N 1 0 282.359 1.639 20 10 CDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000694413772 1159461366 /nfs/dbraw/zinc/46/13/66/1159461366.db2.gz AHPQZGYFNNCTTH-OLZOCXBDSA-N 1 0 251.282 1.388 20 10 CDCDRO CCC[NH2+]CCNC(=O)NCCc1ccc(N)cc1 ZINC000841955909 1160688705 /nfs/dbraw/zinc/68/87/05/1160688705.db2.gz RCVATDWJBSNQBJ-UHFFFAOYSA-N 1 0 264.373 1.110 20 10 CDCDRO Cc1cc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235984897 1161200535 /nfs/dbraw/zinc/20/05/35/1161200535.db2.gz BMHXKBZNTMIRNX-GOEBONIOSA-N 1 0 259.397 1.984 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000263789234 521153555 /nfs/dbraw/zinc/15/35/55/521153555.db2.gz XKDKFQKNSAIRPD-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO CC(C)[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000036170434 519679395 /nfs/dbraw/zinc/67/93/95/519679395.db2.gz IIEBYIUSVINMAD-UHFFFAOYSA-N 1 0 261.369 1.364 20 10 CDCDRO CCOCC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000277820495 520066119 /nfs/dbraw/zinc/06/61/19/520066119.db2.gz VOAAHRLDJZSJGP-ZDUSSCGKSA-N 1 0 253.342 1.612 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)COC)cc1 ZINC000268895042 520286706 /nfs/dbraw/zinc/28/67/06/520286706.db2.gz KKCACAYBZCHPGX-SWLSCSKDSA-N 1 0 266.385 1.801 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C[NH3+])OC)cc1 ZINC000290016100 520900872 /nfs/dbraw/zinc/90/08/72/520900872.db2.gz QQJIBXOGQLRLCZ-CQSZACIVSA-N 1 0 279.384 1.123 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(CCOC)C2)c1 ZINC000264630506 521154161 /nfs/dbraw/zinc/15/41/61/521154161.db2.gz TZYWFVOTJJXCSB-CQSZACIVSA-N 1 0 294.395 1.601 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000372370114 521345641 /nfs/dbraw/zinc/34/56/41/521345641.db2.gz SBJQVGICNYKQAU-CYBMUJFWSA-N 1 0 288.351 1.829 20 10 CDCDRO CCN1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042880335 521580872 /nfs/dbraw/zinc/58/08/72/521580872.db2.gz OIRQWUDLTFELLE-UHFFFAOYSA-N 1 0 278.352 1.695 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000292944599 521744365 /nfs/dbraw/zinc/74/43/65/521744365.db2.gz KBXUXVKWZOUPFR-ZDUSSCGKSA-N 1 0 250.342 1.643 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1F ZINC000237085229 522203253 /nfs/dbraw/zinc/20/32/53/522203253.db2.gz WZYSQJFTNWURCV-NSHDSACASA-N 1 0 265.332 1.117 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1F ZINC000280335442 522210115 /nfs/dbraw/zinc/21/01/15/522210115.db2.gz QSYYPVJJOSAQIS-ZIAGYGMSSA-N 1 0 296.386 1.626 20 10 CDCDRO COC[C@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045658157 522579861 /nfs/dbraw/zinc/57/98/61/522579861.db2.gz NKCQJZXHDKZLJK-SECBINFHSA-N 1 0 253.298 1.493 20 10 CDCDRO CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1O ZINC000289612152 522590881 /nfs/dbraw/zinc/59/08/81/522590881.db2.gz DCYNGZSAAZHRBL-AWEZNQCLSA-N 1 0 290.367 1.607 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000298384887 524075476 /nfs/dbraw/zinc/07/54/76/524075476.db2.gz DRXFAPHETLFYMX-CYBMUJFWSA-N 1 0 275.396 1.901 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093898585 524080439 /nfs/dbraw/zinc/08/04/39/524080439.db2.gz RAFYPZYKLRSSDY-LBPRGKRZSA-N 1 0 263.385 1.567 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1O ZINC000158028620 524406810 /nfs/dbraw/zinc/40/68/10/524406810.db2.gz BSJOSJSVJMNEJU-HNNXBMFYSA-N 1 0 276.380 1.607 20 10 CDCDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000291674820 524487679 /nfs/dbraw/zinc/48/76/79/524487679.db2.gz GYDRQXRMRLHCNP-SNVBAGLBSA-N 1 0 267.329 1.588 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800646 525348742 /nfs/dbraw/zinc/34/87/42/525348742.db2.gz SKOHVERWFZRSOO-CQSZACIVSA-N 1 0 263.385 1.036 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccccc1O ZINC000228062507 525403336 /nfs/dbraw/zinc/40/33/36/525403336.db2.gz SIVNUPWJHPUDTH-WDMOLILDSA-N 1 0 251.326 1.583 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)F)c(O)c1 ZINC000280812555 525916073 /nfs/dbraw/zinc/91/60/73/525916073.db2.gz JJALZIHCXCBPIQ-VIFPVBQESA-N 1 0 272.295 1.733 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1O ZINC000290187427 525951774 /nfs/dbraw/zinc/95/17/74/525951774.db2.gz OIQQRMXDPYYPTB-RYUDHWBXSA-N 1 0 265.353 1.994 20 10 CDCDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)NCC(F)F ZINC000280206903 526882940 /nfs/dbraw/zinc/88/29/40/526882940.db2.gz FIZGOQGBHZMZQJ-UHFFFAOYSA-N 1 0 278.686 1.517 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000374597801 527476325 /nfs/dbraw/zinc/47/63/25/527476325.db2.gz VCMVTHBFANYMER-CFVMTHIKSA-N 1 0 273.380 1.397 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)ccc21 ZINC000729285052 574744736 /nfs/dbraw/zinc/74/47/36/574744736.db2.gz STZDYXBJWSZDRH-OAHLLOKOSA-N 1 0 287.407 1.637 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731117211 575033821 /nfs/dbraw/zinc/03/38/21/575033821.db2.gz XNBQFIHNMSXDRC-CQSZACIVSA-N 1 0 289.379 1.676 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(OC)CCOC2)c1 ZINC000763480317 576739050 /nfs/dbraw/zinc/73/90/50/576739050.db2.gz LVZCPWKRTVCJLE-OAHLLOKOSA-N 1 0 281.352 1.686 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(OCCO)CC1 ZINC000769537433 575357636 /nfs/dbraw/zinc/35/76/36/575357636.db2.gz KGFIGPXIDIOJEM-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO CC[C@H]1C(=O)NCCN1Cc1ccc(N(C)CC)cc1 ZINC000773752629 575837700 /nfs/dbraw/zinc/83/77/00/575837700.db2.gz IOJXZSDWLGEBLE-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464734 576286235 /nfs/dbraw/zinc/28/62/35/576286235.db2.gz SWWZERAQXNWLFI-MFKMUULPSA-N 1 0 265.309 1.039 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000768519560 576292238 /nfs/dbraw/zinc/29/22/38/576292238.db2.gz QXBRVPPHGBBUSX-NWDGAFQWSA-N 1 0 265.353 1.994 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)c(O)c1 ZINC000769224955 576338945 /nfs/dbraw/zinc/33/89/45/576338945.db2.gz FOHBYMQFTRUTJE-UHFFFAOYSA-N 1 0 293.367 1.377 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc1 ZINC000762790201 576672568 /nfs/dbraw/zinc/67/25/68/576672568.db2.gz YJJWXLFGLTYPOQ-WMLDXEAASA-N 1 0 291.439 1.860 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)S(C)(=O)=O ZINC000754086338 576878947 /nfs/dbraw/zinc/87/89/47/576878947.db2.gz XDFOGIWNHWBLFW-JTQLQIEISA-N 1 0 288.388 1.414 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000750040185 576972880 /nfs/dbraw/zinc/97/28/80/576972880.db2.gz UHCJVRNVLMZAID-VXGBXAGGSA-N 1 0 294.782 1.899 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C)c2c1c(F)ccc2O ZINC000756552226 576995036 /nfs/dbraw/zinc/99/50/36/576995036.db2.gz DCVTZKMJSRBXHG-SCVCMEIPSA-N 1 0 282.359 1.592 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CNC(=O)C2)cc1 ZINC000840834621 617442921 /nfs/dbraw/zinc/44/29/21/617442921.db2.gz XTJXSUJEEQFRPQ-QWHCGFSZSA-N 1 0 275.396 1.929 20 10 CDCDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892078843 617465734 /nfs/dbraw/zinc/46/57/34/617465734.db2.gz TUODXNMVRRYFJX-ZWNOBZJWSA-N 1 0 275.352 1.415 20 10 CDCDRO COCCOCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892675188 617582352 /nfs/dbraw/zinc/58/23/52/617582352.db2.gz XAENMPMPQSZXQA-UHFFFAOYSA-N 1 0 285.340 1.162 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000840957146 617808174 /nfs/dbraw/zinc/80/81/74/617808174.db2.gz GBRLNKPMTBGCLL-CYBMUJFWSA-N 1 0 262.353 1.611 20 10 CDCDRO CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891944964 617812431 /nfs/dbraw/zinc/81/24/31/617812431.db2.gz RNNJQPJUTXYALL-CYBMUJFWSA-N 1 0 264.373 1.284 20 10 CDCDRO CC[C@@H](COC)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893024201 618069615 /nfs/dbraw/zinc/06/96/15/618069615.db2.gz SJUAUWVQMUKTOL-NSHDSACASA-N 1 0 269.341 1.924 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1O ZINC000893864691 618102038 /nfs/dbraw/zinc/10/20/38/618102038.db2.gz YUPIQXCUBRYWKJ-GFCCVEGCSA-N 1 0 265.353 1.914 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(O)c1OC ZINC000893908234 618184332 /nfs/dbraw/zinc/18/43/32/618184332.db2.gz UKENHUCVLVAFSV-ZYHUDNBSSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1O ZINC000893945540 618212642 /nfs/dbraw/zinc/21/26/42/618212642.db2.gz DWSFVESXHQXEEU-RYUDHWBXSA-N 1 0 292.379 1.795 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(OC)c1O ZINC000922589160 618274655 /nfs/dbraw/zinc/27/46/55/618274655.db2.gz HVVPWZPSRKPSHW-AWEZNQCLSA-N 1 0 294.395 1.601 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894083512 618345037 /nfs/dbraw/zinc/34/50/37/618345037.db2.gz FNFHPMVIFSYUFE-NSHDSACASA-N 1 0 280.368 1.523 20 10 CDCDRO CCONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894276142 618407203 /nfs/dbraw/zinc/40/72/03/618407203.db2.gz OXSSMCZQSSQIAH-AWEZNQCLSA-N 1 0 294.399 1.606 20 10 CDCDRO COC[C@@]1(CNCc2cccc(F)c2O)CCC[NH2+]1 ZINC000841067957 618680572 /nfs/dbraw/zinc/68/05/72/618680572.db2.gz RJGGLETXWGQCQE-AWEZNQCLSA-N 1 0 268.332 1.390 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)COC(C)=O)c1O ZINC000894457471 618895634 /nfs/dbraw/zinc/89/56/34/618895634.db2.gz BTWIBSPWVBFBFT-SECBINFHSA-N 1 0 253.298 1.442 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C=O)CC2)c1 ZINC000894501643 618927539 /nfs/dbraw/zinc/92/75/39/618927539.db2.gz DYQNFSMSAUCQLU-LLVKDONJSA-N 1 0 278.352 1.672 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COCO2)cc1F ZINC000894871409 619112318 /nfs/dbraw/zinc/11/23/18/619112318.db2.gz DQBTVXBYIWIWME-NSHDSACASA-N 1 0 254.305 1.354 20 10 CDCDRO C[C@@H](NC(=O)NCC[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000841882570 619471381 /nfs/dbraw/zinc/47/13/81/619471381.db2.gz KLVOMBDLTAIDTK-NWDGAFQWSA-N 1 0 278.400 1.850 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1O ZINC000895326511 619564824 /nfs/dbraw/zinc/56/48/24/619564824.db2.gz YOROORSXBULVHD-UKRRQHHQSA-N 1 0 265.353 1.272 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000895749289 619822969 /nfs/dbraw/zinc/82/29/69/619822969.db2.gz QHRUAYUPEFYTPA-ZIAGYGMSSA-N 1 0 265.353 1.720 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2COC[C@H]2C)cc1OC ZINC000896738090 620219043 /nfs/dbraw/zinc/21/90/43/620219043.db2.gz YEZKPDIRXZYPTH-KOLCDFICSA-N 1 0 267.325 1.534 20 10 CDCDRO CCOCCOCC[NH2+]Cc1ccc(C)cc1O ZINC000897204019 620416950 /nfs/dbraw/zinc/41/69/50/620416950.db2.gz IJPIADDGLULMEV-UHFFFAOYSA-N 1 0 253.342 1.843 20 10 CDCDRO [O-]c1c(Cl)cccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841045613 621589335 /nfs/dbraw/zinc/58/93/35/621589335.db2.gz YWVKOEOFGLSYHT-UHFFFAOYSA-N 1 0 269.776 1.040 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000152860852 631403787 /nfs/dbraw/zinc/40/37/87/631403787.db2.gz GOJCTGFNMRTMIY-CQSZACIVSA-N 1 0 260.337 1.332 20 10 CDCDRO O=C(CNc1ccc2c(n1)C[NH2+]CC2)c1ccc(O)c(O)c1 ZINC001170316586 1162335513 /nfs/dbraw/zinc/33/55/13/1162335513.db2.gz KQFXSNIMWYPLIZ-UHFFFAOYSA-N 1 0 299.330 1.433 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC000103529297 1162340049 /nfs/dbraw/zinc/34/00/49/1162340049.db2.gz NRHYRDYAQWMEMS-LLVKDONJSA-N 1 0 280.368 1.918 20 10 CDCDRO COc1ccc(CNC(=O)NCC[N@H+](C)C(C)C)c(O)c1 ZINC000792913836 1162377685 /nfs/dbraw/zinc/37/76/85/1162377685.db2.gz XKIKTASXMBQOOR-UHFFFAOYSA-N 1 0 295.383 1.540 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690792663 1159452000 /nfs/dbraw/zinc/45/20/00/1159452000.db2.gz WJGMWHOOLWDKGB-PWSUYJOCSA-N 1 0 251.301 2.000 20 10 CDCDRO CC(C)N(C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000054111084 1159797854 /nfs/dbraw/zinc/79/78/54/1159797854.db2.gz HBEFIIDHIJBWCL-UHFFFAOYSA-N 1 0 291.439 1.953 20 10 CDCDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccccc1O ZINC000809768343 1163078132 /nfs/dbraw/zinc/07/81/32/1163078132.db2.gz IONFNQTYLLQXGU-ZDUSSCGKSA-N 1 0 253.342 1.610 20 10 CDCDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccccc1O ZINC000809768342 1163078549 /nfs/dbraw/zinc/07/85/49/1163078549.db2.gz IONFNQTYLLQXGU-CYBMUJFWSA-N 1 0 253.342 1.610 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000809751244 1163083750 /nfs/dbraw/zinc/08/37/50/1163083750.db2.gz GDBZRTJMTPPOHV-HNNXBMFYSA-N 1 0 265.353 1.994 20 10 CDCDRO C[N@H+](CC(=O)N1CCCC1)Cc1c(O)ccc2ccncc21 ZINC000874063997 1165604127 /nfs/dbraw/zinc/60/41/27/1165604127.db2.gz JJYVOUOOEFMTEW-UHFFFAOYSA-N 1 0 299.374 1.995 20 10 CDCDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876810479 1165920012 /nfs/dbraw/zinc/92/00/12/1165920012.db2.gz VWLZPSNJQVTEJU-HNNXBMFYSA-N 1 0 293.363 1.447 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000876913242 1165938084 /nfs/dbraw/zinc/93/80/84/1165938084.db2.gz OZTDJSJKGJBIFF-NSHDSACASA-N 1 0 269.366 1.225 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCC(=O)NC(C)C ZINC000876922992 1165939267 /nfs/dbraw/zinc/93/92/67/1165939267.db2.gz OKJKKHLQTIJLOM-UHFFFAOYSA-N 1 0 250.342 1.705 20 10 CDCDRO Cc1ccc(C[NH2+]CCC(=O)NC(C)C)c(O)c1 ZINC000876922850 1165939450 /nfs/dbraw/zinc/93/94/50/1165939450.db2.gz MVWSIJSBCGPMKJ-UHFFFAOYSA-N 1 0 250.342 1.705 20 10 CDCDRO CN(C(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000877079170 1165971264 /nfs/dbraw/zinc/97/12/64/1165971264.db2.gz TVZPHBWSJSJPNU-CYBMUJFWSA-N 1 0 263.341 1.000 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000877614655 1166066891 /nfs/dbraw/zinc/06/68/91/1166066891.db2.gz KTCFGKCLXBQCQY-OAHLLOKOSA-N 1 0 265.353 1.722 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCNC2=O)c(O)c1C ZINC000886745325 1166539579 /nfs/dbraw/zinc/53/95/79/1166539579.db2.gz UJLRKNSMABMLAP-GFCCVEGCSA-N 1 0 277.368 1.685 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c1 ZINC001206655778 1167178718 /nfs/dbraw/zinc/17/87/18/1167178718.db2.gz IRYURKUHROTIFW-LBPRGKRZSA-N 1 0 272.295 1.569 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001578750205 1171993376 /nfs/dbraw/zinc/99/33/76/1171993376.db2.gz QKZMBIDEGVNIOP-LBPRGKRZSA-N 1 0 275.396 1.852 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@@]2(C)CNCCO2)c(O)c1 ZINC001579145360 1172105827 /nfs/dbraw/zinc/10/58/27/1172105827.db2.gz ZBJHIEHSPLAHCK-OAHLLOKOSA-N 1 0 280.368 1.177 20 10 CDCDRO COc1ccc(CN[C@@H]2C[NH2+]C[C@H]2OC)cc1C ZINC001579218021 1172118170 /nfs/dbraw/zinc/11/81/70/1172118170.db2.gz NGAJNWINGBEJMV-TZMCWYRMSA-N 1 0 250.342 1.080 20 10 CDCDRO Cc1ccc(CN2CCO[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001579691837 1172241897 /nfs/dbraw/zinc/24/18/97/1172241897.db2.gz JGEQAHQZWSITSW-OAHLLOKOSA-N 1 0 262.353 1.265 20 10 CDCDRO O=C(NCc1cccc(Cl)c1O)N[C@H]1CCC[NH2+]C1 ZINC001580718476 1172522542 /nfs/dbraw/zinc/52/25/42/1172522542.db2.gz KMANGQTVHYGSFP-JTQLQIEISA-N 1 0 283.759 1.597 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@]2(CO)CCOC2)c1 ZINC000184192325 1182262783 /nfs/dbraw/zinc/26/27/83/1182262783.db2.gz SBCFLFZEKKLQQW-AWEZNQCLSA-N 1 0 267.325 1.032 20 10 CDCDRO CC(C)(C(N)=O)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882730 1164410757 /nfs/dbraw/zinc/41/07/57/1164410757.db2.gz SRZGXUJAZAOVGW-UHFFFAOYSA-N 1 0 292.379 1.821 20 10 CDCDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877083960 1165971999 /nfs/dbraw/zinc/97/19/99/1165971999.db2.gz CGHJWGSNJGVSNW-CYBMUJFWSA-N 1 0 277.368 1.594 20 10 CDCDRO COc1c(O)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000841026498 813334742 /nfs/dbraw/zinc/33/47/42/813334742.db2.gz FEQLXDFTKMLGCD-SKDRFNHKSA-N 1 0 293.323 1.103 20 10 CDCDRO [O-]c1c(Br)cccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825257097 814214346 /nfs/dbraw/zinc/21/43/46/814214346.db2.gz VNQRKLBNKBHCHO-DTORHVGOSA-N 1 0 272.142 1.768 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000702276600 814224411 /nfs/dbraw/zinc/22/44/11/814224411.db2.gz CGKIKPRERKONTC-AWEZNQCLSA-N 1 0 267.394 1.912 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)COCC1CC1)CC2 ZINC000834552199 805029808 /nfs/dbraw/zinc/02/98/08/805029808.db2.gz XOVVRHPRTVVZHK-KBPBESRZSA-N 1 0 277.364 1.757 20 10 CDCDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000305756859 805047464 /nfs/dbraw/zinc/04/74/64/805047464.db2.gz BFXJCOBIDQSOJR-CZUORRHYSA-N 1 0 278.396 1.945 20 10 CDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000922227028 805074113 /nfs/dbraw/zinc/07/41/13/805074113.db2.gz SMBWTFGUGRUUNK-CQSZACIVSA-N 1 0 298.390 1.787 20 10 CDCDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902820 811070507 /nfs/dbraw/zinc/07/05/07/811070507.db2.gz YPSYGLDCYOZKNQ-ZFWWWQNUSA-N 1 0 290.363 1.005 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1 ZINC000825017556 811165097 /nfs/dbraw/zinc/16/50/97/811165097.db2.gz UMZBXGBGCVUICO-HZPDHXFCSA-N 1 0 278.396 1.724 20 10 CDCDRO CC[C@]1(C(=O)NCc2ccc(OC)cc2O)CCC[NH2+]1 ZINC000843500007 811339372 /nfs/dbraw/zinc/33/93/72/811339372.db2.gz QAPFJZFCHMRGFD-OAHLLOKOSA-N 1 0 278.352 1.549 20 10 CDCDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000877674637 811342275 /nfs/dbraw/zinc/34/22/75/811342275.db2.gz NXOVPUJXXIHMPL-AWEZNQCLSA-N 1 0 262.353 1.883 20 10 CDCDRO Cn1cnnc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700922615 811374832 /nfs/dbraw/zinc/37/48/32/811374832.db2.gz FPKZWHDSCAWWLK-UHFFFAOYSA-N 1 0 257.341 1.227 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C[NH3+])c1 ZINC000841968582 811552679 /nfs/dbraw/zinc/55/26/79/811552679.db2.gz AXPOVMVRPFMUEA-RKDXNWHRSA-N 1 0 267.329 1.108 20 10 CDCDRO CC[NH2+]Cc1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881378580 811673479 /nfs/dbraw/zinc/67/34/79/811673479.db2.gz PUWYBKLKXQBGQY-UHFFFAOYSA-N 1 0 273.384 1.810 20 10 CDCDRO CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000049084106 811772877 /nfs/dbraw/zinc/77/28/77/811772877.db2.gz WSRVRGNZUDLJHK-HNNXBMFYSA-N 1 0 275.396 1.317 20 10 CDCDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(F)ccc1O ZINC000817586732 811811107 /nfs/dbraw/zinc/81/11/07/811811107.db2.gz RLAQTDXMVUUVEV-SECBINFHSA-N 1 0 266.316 1.838 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH2+][C@H](C)[C@@H]2C)c1 ZINC000379448398 811839762 /nfs/dbraw/zinc/83/97/62/811839762.db2.gz ZLMIFOCOXCFHPZ-MNOVXSKESA-N 1 0 250.342 1.583 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H](C)[NH3+])c1 ZINC000857112426 811846809 /nfs/dbraw/zinc/84/68/09/811846809.db2.gz CWJPLHLHDLBPBR-VHSXEESVSA-N 1 0 281.356 1.498 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000840932925 811860461 /nfs/dbraw/zinc/86/04/61/811860461.db2.gz WOFOHKWDSOFXQP-QGZVFWFLSA-N 1 0 292.423 1.938 20 10 CDCDRO COCC[NH2+]CCN[C@@H](C)c1cc(F)ccc1O ZINC000817965010 811862242 /nfs/dbraw/zinc/86/22/42/811862242.db2.gz MQQSOIVTNBFVKQ-JTQLQIEISA-N 1 0 256.321 1.418 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000848875619 811865708 /nfs/dbraw/zinc/86/57/08/811865708.db2.gz BVUJAWWOPJSPCS-CYBMUJFWSA-N 1 0 262.353 1.652 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000843489692 811910935 /nfs/dbraw/zinc/91/09/35/811910935.db2.gz RZQJCSVXCUMTEP-GWCFXTLKSA-N 1 0 278.352 1.720 20 10 CDCDRO CCc1cccc(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC000848881605 812028208 /nfs/dbraw/zinc/02/82/08/812028208.db2.gz ZCBMCITUUBSNJU-UHFFFAOYSA-N 1 0 292.379 1.245 20 10 CDCDRO COCCN(C)C(=[NH2+])NCCCSc1nccs1 ZINC000871604511 812063692 /nfs/dbraw/zinc/06/36/92/812063692.db2.gz FMSBVFKQKIOABN-UHFFFAOYSA-N 1 0 288.442 1.728 20 10 CDCDRO COCC1(C)C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000839145810 812086785 /nfs/dbraw/zinc/08/67/85/812086785.db2.gz VPTDKKQJJPEAHD-UHFFFAOYSA-N 1 0 265.309 1.589 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180765374 812310156 /nfs/dbraw/zinc/31/01/56/812310156.db2.gz XVSWKNUODROATJ-IYNGYCSASA-N 1 0 290.363 1.569 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841023056 812361595 /nfs/dbraw/zinc/36/15/95/812361595.db2.gz OQYMJSXHLRDWTM-LLVKDONJSA-N 1 0 292.383 1.054 20 10 CDCDRO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877597741 812581399 /nfs/dbraw/zinc/58/13/99/812581399.db2.gz XCGZYUHQYBXQOF-HZPDHXFCSA-N 1 0 276.380 1.261 20 10 CDCDRO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C[NH+](C)C ZINC000708446186 812662351 /nfs/dbraw/zinc/66/23/51/812662351.db2.gz ZRQUDEGWOMFMRU-VIFPVBQESA-N 1 0 258.312 1.958 20 10 CDCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1COCCO1 ZINC000827141565 812706712 /nfs/dbraw/zinc/70/67/12/812706712.db2.gz UMUIRWHETDJVKC-LBPRGKRZSA-N 1 0 271.744 1.893 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CCN2C)c1O ZINC000712536597 812756476 /nfs/dbraw/zinc/75/64/76/812756476.db2.gz UMAFCCRNNFBFCB-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO CNC(=O)NC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000839564506 812814343 /nfs/dbraw/zinc/81/43/43/812814343.db2.gz VHZBFYRPDGPIGC-NSHDSACASA-N 1 0 292.383 1.249 20 10 CDCDRO CCCOc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1C ZINC000877323486 812866669 /nfs/dbraw/zinc/86/66/69/812866669.db2.gz PTIISMHAVKRWHO-UHFFFAOYSA-N 1 0 262.353 1.891 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000824815656 812867354 /nfs/dbraw/zinc/86/73/54/812867354.db2.gz WABLXNQKVJMWJI-GWCFXTLKSA-N 1 0 279.336 1.978 20 10 CDCDRO C[C@H](O)[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929973203 813003913 /nfs/dbraw/zinc/00/39/13/813003913.db2.gz YBWUEGKAIHMRKU-DUVNUKRYSA-N 1 0 295.379 1.115 20 10 CDCDRO CSCC[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877077711 813060129 /nfs/dbraw/zinc/06/01/29/813060129.db2.gz RUGPPKLUSRSKSA-NSHDSACASA-N 1 0 253.371 1.312 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000851657398 813089137 /nfs/dbraw/zinc/08/91/37/813089137.db2.gz ZRQLKYGVXJXRRG-SNVBAGLBSA-N 1 0 282.363 1.299 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000827119559 813189047 /nfs/dbraw/zinc/18/90/47/813189047.db2.gz NHABBVUASLFTAV-OAHLLOKOSA-N 1 0 276.380 1.607 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1OC ZINC000872266822 813302016 /nfs/dbraw/zinc/30/20/16/813302016.db2.gz MQAWLSFRXYAGGG-TXEJJXNPSA-N 1 0 279.336 1.488 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)COCC1CC1)CC2 ZINC000834552202 813391472 /nfs/dbraw/zinc/39/14/72/813391472.db2.gz XOVVRHPRTVVZHK-ZIAGYGMSSA-N 1 0 277.364 1.757 20 10 CDCDRO Cc1cccc(C[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000840965138 813409129 /nfs/dbraw/zinc/40/91/29/813409129.db2.gz ASOOZEIPXQNLQV-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO C[C@H](CCO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000097439821 813726603 /nfs/dbraw/zinc/72/66/03/813726603.db2.gz GLUKKPGDARKFNJ-CQSZACIVSA-N 1 0 278.396 1.631 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000382546711 813741808 /nfs/dbraw/zinc/74/18/08/813741808.db2.gz DJRJMOHSTYOYEQ-CYBMUJFWSA-N 1 0 289.759 1.541 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000228935076 813806861 /nfs/dbraw/zinc/80/68/61/813806861.db2.gz PLLKTTWNOPOGLO-VIFPVBQESA-N 1 0 280.324 1.124 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841978663 813823357 /nfs/dbraw/zinc/82/33/57/813823357.db2.gz NUKRCPRMCRVXBA-ZDUSSCGKSA-N 1 0 277.368 1.676 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCOCCF)cc1OC ZINC000827951355 813832807 /nfs/dbraw/zinc/83/28/07/813832807.db2.gz YBJVSQPHQRSTHK-UHFFFAOYSA-N 1 0 273.304 1.485 20 10 CDCDRO CCNC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000135728400 813874601 /nfs/dbraw/zinc/87/46/01/813874601.db2.gz RQCBSMQTWHHYPF-SNVBAGLBSA-N 1 0 266.341 1.578 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNCC(F)F)cc2)CC1 ZINC000839093877 813887164 /nfs/dbraw/zinc/88/71/64/813887164.db2.gz YAPGDSYKALKNCP-UHFFFAOYSA-N 1 0 269.339 1.793 20 10 CDCDRO CC(C)(C)[NH2+]CCC(=O)NCc1ccccc1O ZINC000228423946 813913886 /nfs/dbraw/zinc/91/38/86/813913886.db2.gz YYVMJQXIXHLLSL-UHFFFAOYSA-N 1 0 250.342 1.787 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CO)CC(F)F)c1O ZINC000717754987 813986514 /nfs/dbraw/zinc/98/65/14/813986514.db2.gz MHMXNWBTXKELDA-VIFPVBQESA-N 1 0 261.268 1.507 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CCO)C[C@@H](C)O)cc1 ZINC000815119898 814090841 /nfs/dbraw/zinc/09/08/41/814090841.db2.gz KBKDSRHHNKFAJG-CYBMUJFWSA-N 1 0 266.385 1.318 20 10 CDCDRO CCN(CC[NH3+])Cc1cc(OC)c(OC)cc1O ZINC000863644402 814117227 /nfs/dbraw/zinc/11/72/27/814117227.db2.gz UYPIDDBDQOVPOH-UHFFFAOYSA-N 1 0 254.330 1.190 20 10 CDCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861568480 814141262 /nfs/dbraw/zinc/14/12/62/814141262.db2.gz TWCOERZHFBNYKY-SNVBAGLBSA-N 1 0 282.363 1.380 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1O ZINC000848916382 814331375 /nfs/dbraw/zinc/33/13/75/814331375.db2.gz GUZPAJQWEMESNA-LSDHHAIUSA-N 1 0 279.380 1.832 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850388504 814338956 /nfs/dbraw/zinc/33/89/56/814338956.db2.gz NFQQCEGUTYQWES-LBPRGKRZSA-N 1 0 265.353 1.899 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955502 814359592 /nfs/dbraw/zinc/35/95/92/814359592.db2.gz FGBLNSCHKYZUJE-AWEZNQCLSA-N 1 0 276.384 1.205 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1O ZINC000840963817 814518646 /nfs/dbraw/zinc/51/86/46/814518646.db2.gz QHYSRKFOWXHTSU-KBPBESRZSA-N 1 0 265.353 1.578 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877345218 814532420 /nfs/dbraw/zinc/53/24/20/814532420.db2.gz YGIKGFZSVPCZMH-DZGCQCFKSA-N 1 0 265.353 1.984 20 10 CDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997132 814640978 /nfs/dbraw/zinc/64/09/78/814640978.db2.gz SGGGQPKZHLXMMD-AWEZNQCLSA-N 1 0 265.353 1.499 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)COCC(C)C ZINC000876966592 814726792 /nfs/dbraw/zinc/72/67/92/814726792.db2.gz WZDFLUAZAMJIAE-ZDUSSCGKSA-N 1 0 267.369 1.824 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000394590196 814768343 /nfs/dbraw/zinc/76/83/43/814768343.db2.gz IDZKMTRLWNKBOY-SMDDNHRTSA-N 1 0 253.342 1.749 20 10 CDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[NH3+] ZINC000841922020 816749164 /nfs/dbraw/zinc/74/91/64/816749164.db2.gz WCBRUGMOIHLGNT-UHFFFAOYSA-N 1 0 290.411 1.777 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCN2CC[C@H](C)C2)c1 ZINC000777483350 816839010 /nfs/dbraw/zinc/83/90/10/816839010.db2.gz NSIQVVWYWINJPG-LBPRGKRZSA-N 1 0 264.369 1.832 20 10 CDCDRO C[C@@H]([NH2+]CCc1cn[nH]n1)c1ccc(N(C)C)cc1 ZINC000851949831 816870865 /nfs/dbraw/zinc/87/08/65/816870865.db2.gz JXDFXHTVBGRESS-LLVKDONJSA-N 1 0 259.357 1.764 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCC2(CO)CC2)cc1OC ZINC000825040560 816929626 /nfs/dbraw/zinc/92/96/26/816929626.db2.gz NLTAXCQJJQVSID-UHFFFAOYSA-N 1 0 281.352 1.662 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000709344049 816982035 /nfs/dbraw/zinc/98/20/35/816982035.db2.gz LJKRUNMRCVCJOW-AWEZNQCLSA-N 1 0 274.364 1.761 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCOC[C@H]1CCOC1 ZINC000877007483 817032143 /nfs/dbraw/zinc/03/21/43/817032143.db2.gz RXTRGRNLTPAPDT-ZDUSSCGKSA-N 1 0 265.353 1.843 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000848565789 817072550 /nfs/dbraw/zinc/07/25/50/817072550.db2.gz MCCDWUPKNCDOQQ-VIFPVBQESA-N 1 0 292.770 1.821 20 10 CDCDRO Cc1cc(C[NH2+]C(CO)CO)ccc1N1CCCCC1 ZINC000846942650 817087900 /nfs/dbraw/zinc/08/79/00/817087900.db2.gz WFBPBVSBYHAUBH-UHFFFAOYSA-N 1 0 278.396 1.428 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(O)c1 ZINC000809785607 817128245 /nfs/dbraw/zinc/12/82/45/817128245.db2.gz WPGOFANBQOFBDE-NSHDSACASA-N 1 0 278.352 1.488 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCSC[C@H]2CO)cc1C ZINC000877780299 817193204 /nfs/dbraw/zinc/19/32/04/817193204.db2.gz MFCKEJYQOBQIBF-CYBMUJFWSA-N 1 0 267.394 1.919 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C[NH3+] ZINC000237056286 817227556 /nfs/dbraw/zinc/22/75/56/817227556.db2.gz HPJSHDRVDKNKOE-UHFFFAOYSA-N 1 0 263.385 1.662 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000817946010 817298196 /nfs/dbraw/zinc/29/81/96/817298196.db2.gz PXYFITNLIQCGTC-NEPJUHHUSA-N 1 0 292.379 1.829 20 10 CDCDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902817 817300587 /nfs/dbraw/zinc/30/05/87/817300587.db2.gz YPSYGLDCYOZKNQ-DZGCQCFKSA-N 1 0 290.363 1.005 20 10 CDCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)S(C)(=O)=O ZINC000226613322 817305437 /nfs/dbraw/zinc/30/54/37/817305437.db2.gz BGWODTYEDLWZCP-UHFFFAOYSA-N 1 0 275.345 1.444 20 10 CDCDRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]2N1 ZINC000827141160 817376354 /nfs/dbraw/zinc/37/63/54/817376354.db2.gz PQNNGGNJTLSZJH-WCQYABFASA-N 1 0 260.337 1.493 20 10 CDCDRO Cc1cccc(O)c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000876688700 817383257 /nfs/dbraw/zinc/38/32/57/817383257.db2.gz VYOASUSSSKUQLJ-DOTOQJQBSA-N 1 0 290.407 1.732 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+](C)C)CC1 ZINC000831925229 817486760 /nfs/dbraw/zinc/48/67/60/817486760.db2.gz UBMDGHMSMMRARQ-JTQLQIEISA-N 1 0 278.352 1.239 20 10 CDCDRO CS[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1[NH+](C)C ZINC000790903807 817611033 /nfs/dbraw/zinc/61/10/33/817611033.db2.gz BGNLPCJZKAPMEX-PWSUYJOCSA-N 1 0 296.392 1.215 20 10 CDCDRO C[N@@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1(C)C ZINC000848033999 817671393 /nfs/dbraw/zinc/67/13/93/817671393.db2.gz TZOQNAGZARNMBZ-FNORWQNLSA-N 1 0 290.363 1.664 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000813062975 817782313 /nfs/dbraw/zinc/78/23/13/817782313.db2.gz SIVRIPIUAABSRC-UHFFFAOYSA-N 1 0 292.379 1.667 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1F ZINC000166462178 817821056 /nfs/dbraw/zinc/82/10/56/817821056.db2.gz IAASVJZYCLMNPQ-GFCCVEGCSA-N 1 0 279.359 1.650 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2cccc(OC)c2O)CCC1 ZINC000777441733 817822460 /nfs/dbraw/zinc/82/24/60/817822460.db2.gz WFCVKUNSUWNJFZ-UHFFFAOYSA-N 1 0 279.336 1.976 20 10 CDCDRO CN1CC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000922576127 817852818 /nfs/dbraw/zinc/85/28/18/817852818.db2.gz UNRIBKRVKMABEN-AWEZNQCLSA-N 1 0 293.386 1.456 20 10 CDCDRO CCn1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000840956489 817876230 /nfs/dbraw/zinc/87/62/30/817876230.db2.gz UAFBMRWIFSIUQV-UHFFFAOYSA-N 1 0 275.308 1.627 20 10 CDCDRO COc1cccc(C[NH2+]C(C)(C)CN(C)C)c1O ZINC000308613552 817935239 /nfs/dbraw/zinc/93/52/39/817935239.db2.gz LXUOJSPXZAJVAY-UHFFFAOYSA-N 1 0 252.358 1.831 20 10 CDCDRO CC(C)OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281191 817938888 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CC(C)OCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172431635 911664774 /nfs/dbraw/zinc/66/47/74/911664774.db2.gz PRKRASCWAQMLTH-ABAIWWIYSA-N 1 0 283.368 1.924 20 10 CDCDRO COc1ccc(O)c(CN2[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205064799 911877725 /nfs/dbraw/zinc/87/77/25/911877725.db2.gz VYAJNLCYXVLHSL-JQWIXIFHSA-N 1 0 250.342 1.712 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC[C@H]1F ZINC001206182582 912042643 /nfs/dbraw/zinc/04/26/43/912042643.db2.gz BSJALNMOAPYQJA-VXGBXAGGSA-N 1 0 282.315 1.352 20 10 CDCDRO C[NH+](C)C1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179684287 915921879 /nfs/dbraw/zinc/92/18/79/915921879.db2.gz PAIKKGMWYUUOSZ-FNORWQNLSA-N 1 0 276.336 1.274 20 10 CDCDRO [NH3+]Cc1ncccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179691289 915930196 /nfs/dbraw/zinc/93/01/96/915930196.db2.gz GOGPCZHZAUCOTH-GQCTYLIASA-N 1 0 285.303 1.603 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495981 936543046 /nfs/dbraw/zinc/54/30/46/936543046.db2.gz 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CN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691431401 928419461 /nfs/dbraw/zinc/41/94/61/928419461.db2.gz VXNLCSSLQKJFJO-LLVKDONJSA-N 1 0 285.185 1.948 20 10 CDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000782387026 937250012 /nfs/dbraw/zinc/25/00/12/937250012.db2.gz QOJVKPSCCGNTFK-HNNXBMFYSA-N 1 0 277.364 1.499 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1 ZINC000857061172 928658507 /nfs/dbraw/zinc/65/85/07/928658507.db2.gz LEVNLAQBPFFZBE-AAEUAGOBSA-N 1 0 265.353 1.851 20 10 CDCDRO Oc1ccc(CNc2ccc3c(n2)C[NH2+]CC3)cc1O ZINC001169991011 928865720 /nfs/dbraw/zinc/86/57/20/928865720.db2.gz VKRVPJGMGNEFOH-UHFFFAOYSA-N 1 0 271.320 1.751 20 10 CDCDRO CN(C)c1cc(F)c(CN2CC[NH+](C)CC2)cc1F ZINC000862210523 929387202 /nfs/dbraw/zinc/38/72/02/929387202.db2.gz NUTHVWLEWSTYAN-UHFFFAOYSA-N 1 0 269.339 1.778 20 10 CDCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ncc[nH]1 ZINC000817941848 930638245 /nfs/dbraw/zinc/63/82/45/930638245.db2.gz LCKYBLWHGQPJNW-SMDDNHRTSA-N 1 0 273.384 1.826 20 10 CDCDRO [NH3+]CC1(CC(=O)NCCCSc2nccs2)CC1 ZINC000817941227 930640171 /nfs/dbraw/zinc/64/01/71/930640171.db2.gz NZUFLMFUCFRQRY-UHFFFAOYSA-N 1 0 285.438 1.871 20 10 CDCDRO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964650 930646501 /nfs/dbraw/zinc/64/65/01/930646501.db2.gz HDARHYOMCNUXMS-SECBINFHSA-N 1 0 265.313 1.832 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CN)C2CC2)c1 ZINC000817960399 930646843 /nfs/dbraw/zinc/64/68/43/930646843.db2.gz MUSNBVPGYOBWCC-NOZJJQNGSA-N 1 0 250.342 1.789 20 10 CDCDRO C[C@H]1C[NH+](Cc2c(O)cc(O)cc2O)C[C@H](C)O1 ZINC001144500379 931860192 /nfs/dbraw/zinc/86/01/92/931860192.db2.gz SVBDYYCCONGPMO-IUCAKERBSA-N 1 0 253.298 1.413 20 10 CDCDRO C[C@@]1(CO)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500303 931860258 /nfs/dbraw/zinc/86/02/58/931860258.db2.gz RENANFJOQQJNBE-CYBMUJFWSA-N 1 0 253.298 1.008 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@]1(C)O ZINC001144503815 931864062 /nfs/dbraw/zinc/86/40/62/931864062.db2.gz DTIJJIGUSNOAQH-LKFCYVNXSA-N 1 0 267.325 1.396 20 10 CDCDRO CC1(C)C[N@H+](Cc2c(O)cc(O)cc2O)[C@](C)(CO)C1 ZINC001144504207 931865116 /nfs/dbraw/zinc/86/51/16/931865116.db2.gz NSIBDHSSCKQXJQ-HNNXBMFYSA-N 1 0 281.352 1.786 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC001144504347 931865360 /nfs/dbraw/zinc/86/53/60/931865360.db2.gz QFTBQTFPPKYDHK-CQSZACIVSA-N 1 0 265.309 1.416 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(O)c1 ZINC001144514820 931878126 /nfs/dbraw/zinc/87/81/26/931878126.db2.gz TWMSMPQTCTVDGY-CQSZACIVSA-N 1 0 265.309 1.558 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000846107488 931973535 /nfs/dbraw/zinc/97/35/35/931973535.db2.gz JHFDWFQTCZWYRV-BLLLJJGKSA-N 1 0 295.379 1.983 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2COCCO2)c1O ZINC000846142599 931987455 /nfs/dbraw/zinc/98/74/55/931987455.db2.gz FQOJRFJEEQGNQW-GHMZBOCLSA-N 1 0 267.325 1.467 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1OC ZINC000234862473 932622298 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939445115 /nfs/dbraw/zinc/44/51/15/939445115.db2.gz HOVVGNZKIDNDGW-ZFWWWQNUSA-N 1 0 260.337 1.254 20 10 CDCDRO COc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(O)c1 ZINC001203621001 939697343 /nfs/dbraw/zinc/69/73/43/939697343.db2.gz MYPAGMQTSLQAHH-OLZOCXBDSA-N 1 0 269.316 1.696 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H](F)[C@@H](OC)C2)c1 ZINC001203670734 939700499 /nfs/dbraw/zinc/70/04/99/939700499.db2.gz YKNDXVHQFKFGLD-AAEUAGOBSA-N 1 0 255.289 1.570 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203878729 939710694 /nfs/dbraw/zinc/71/06/94/939710694.db2.gz KQKNILAEPAEHBA-LBPRGKRZSA-N 1 0 250.342 1.624 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(O)c1 ZINC001204279188 939752107 /nfs/dbraw/zinc/75/21/07/939752107.db2.gz SNNXSOQJQBZKBF-GFCCVEGCSA-N 1 0 274.324 1.526 20 10 CDCDRO COc1cc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc(O)c1O ZINC001204348859 939759329 /nfs/dbraw/zinc/75/93/29/939759329.db2.gz JYSTWCHEUMBDHD-OLZOCXBDSA-N 1 0 292.379 1.632 20 10 CDCDRO CC1([NH3+])CN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001204993148 939812494 /nfs/dbraw/zinc/81/24/94/939812494.db2.gz CBZROJXCIAOVGB-UHFFFAOYSA-N 1 0 260.259 1.944 20 10 CDCDRO [NH3+][C@H]1CN(Cc2ccc(O)c(O)c2)CC(F)(F)C1 ZINC001206117506 939982299 /nfs/dbraw/zinc/98/22/99/939982299.db2.gz PYHUNXHLOSALEA-SECBINFHSA-N 1 0 258.268 1.266 20 10 CDCDRO Nc1ccc(CC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1 ZINC001219029938 941302053 /nfs/dbraw/zinc/30/20/53/941302053.db2.gz VITACRMKZPCNAU-UHFFFAOYSA-N 1 0 297.358 1.932 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001329966312 941468102 /nfs/dbraw/zinc/46/81/02/941468102.db2.gz LSSPRPHQRLFJHZ-QMMMGPOBSA-N 1 0 271.311 1.384 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC001276958275 941731922 /nfs/dbraw/zinc/73/19/22/941731922.db2.gz HYWIVVNKJCUKCL-RHSMWYFYSA-N 1 0 287.407 1.663 20 10 CDCDRO CN1CCCc2cc(C[NH2+]C34CC(C(N)=O)(C3)C4)ccc21 ZINC001277253377 942244654 /nfs/dbraw/zinc/24/46/54/942244654.db2.gz BTOLOLZFBYQDFZ-UHFFFAOYSA-N 1 0 285.391 1.567 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)cc1O ZINC001231633684 942949390 /nfs/dbraw/zinc/94/93/90/942949390.db2.gz SUJIZPAGXAQKEY-OAHLLOKOSA-N 1 0 279.336 1.719 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)cc1O ZINC001231633460 942950227 /nfs/dbraw/zinc/95/02/27/942950227.db2.gz WCFFPYRCHUCHJK-SNVBAGLBSA-N 1 0 267.325 1.311 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CCC3(CNC(=O)N3)CC2)c(O)c1 ZINC001231848739 943027962 /nfs/dbraw/zinc/02/79/62/943027962.db2.gz KQKIGBZZTAULRY-UHFFFAOYSA-N 1 0 289.379 1.656 20 10 CDCDRO COc1cnc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC001231939733 943066193 /nfs/dbraw/zinc/06/61/93/943066193.db2.gz PMESEHKSNPSQAX-UHFFFAOYSA-N 1 0 259.309 1.823 20 10 CDCDRO CC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232836352 943414072 /nfs/dbraw/zinc/41/40/72/943414072.db2.gz OCNMLNUFEKGJRX-UHFFFAOYSA-N 1 0 277.368 1.122 20 10 CDCDRO COc1cc(Cl)cc(CN2CC([NH+](C)C)C2)c1O ZINC001233287387 943532316 /nfs/dbraw/zinc/53/23/16/943532316.db2.gz OAUHPZIKFSWVJH-UHFFFAOYSA-N 1 0 270.760 1.800 20 10 CDCDRO O=C1COC2(C1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233483263 943591964 /nfs/dbraw/zinc/59/19/64/943591964.db2.gz SOCDOSHMYXJZBX-UHFFFAOYSA-N 1 0 293.319 1.127 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc1O ZINC001233485688 943594143 /nfs/dbraw/zinc/59/41/43/943594143.db2.gz HAYOQJVGZOFYHA-CQSZACIVSA-N 1 0 265.309 1.558 20 10 CDCDRO Cc1noc([C@@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486707 943595273 /nfs/dbraw/zinc/59/52/73/943595273.db2.gz YOPVHWLCAQJGDT-SECBINFHSA-N 1 0 291.307 1.484 20 10 CDCDRO C[N@@H+]1CCC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233949400 943699365 /nfs/dbraw/zinc/69/93/65/943699365.db2.gz GJWNUONQWRLGGM-JTQLQIEISA-N 1 0 289.335 1.904 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@@H](C)C[NH+](C)C ZINC001234474230 943859202 /nfs/dbraw/zinc/85/92/02/943859202.db2.gz PFSDCZYXPNRHEF-QMMMGPOBSA-N 1 0 253.298 1.629 20 10 CDCDRO Oc1c(CN2CCNC[C@]23CC[NH2+]C3)ccc2ccccc21 ZINC001234989657 943996820 /nfs/dbraw/zinc/99/68/20/943996820.db2.gz QFENSBZSNYGQBB-GOSISDBHSA-N 1 0 297.402 1.683 20 10 CDCDRO Oc1cccc(Cl)c1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053805 944027849 /nfs/dbraw/zinc/02/78/49/944027849.db2.gz LDPNXFFLXOVRMQ-AWEZNQCLSA-N 1 0 281.787 1.183 20 10 CDCDRO COc1cc(C)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235176092 944080529 /nfs/dbraw/zinc/08/05/29/944080529.db2.gz VFKMRCREGBUPFU-XHDPSFHLSA-N 1 0 262.353 1.632 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001235676978 944244451 /nfs/dbraw/zinc/24/44/51/944244451.db2.gz ZKOJXDLIKXJBTR-CJNGLKHVSA-N 1 0 293.407 1.865 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CCO)cc1Br ZINC001236255465 944438297 /nfs/dbraw/zinc/43/82/97/944438297.db2.gz DTHKRICNPSCFJW-UHFFFAOYSA-N 1 0 290.157 1.587 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[NH2+]1 ZINC001236119461 944408598 /nfs/dbraw/zinc/40/85/98/944408598.db2.gz TURJWRFGNKLYRW-INIZCTEOSA-N 1 0 289.423 1.707 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001236170793 944421227 /nfs/dbraw/zinc/42/12/27/944421227.db2.gz LAIJCSKTFGCEIY-INIZCTEOSA-N 1 0 271.408 1.918 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(N(C)C)c(C)c1 ZINC001236194107 944426985 /nfs/dbraw/zinc/42/69/85/944426985.db2.gz DFDZBFPXFXPATC-ZFWWWQNUSA-N 1 0 291.395 1.136 20 10 CDCDRO COC(=O)Cc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001236582544 944517374 /nfs/dbraw/zinc/51/73/74/944517374.db2.gz QWPOCFWCFBKEOO-RYUDHWBXSA-N 1 0 292.379 1.290 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2O)C[C@H](C)[NH2+]1 ZINC001236580737 944517483 /nfs/dbraw/zinc/51/74/83/944517483.db2.gz SORVJCVJGMQWRO-TXEJJXNPSA-N 1 0 263.385 1.640 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(O)c1 ZINC001236812873 944578650 /nfs/dbraw/zinc/57/86/50/944578650.db2.gz GJTSEHWYACNJMF-ZDUSSCGKSA-N 1 0 292.379 1.810 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@H]1O ZINC001236827952 944585793 /nfs/dbraw/zinc/58/57/93/944585793.db2.gz XJPDDXPIKGGVHU-RHSMWYFYSA-N 1 0 287.359 1.721 20 10 CDCDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1ccc2c(c1)CCCN2C ZINC001237161131 944667704 /nfs/dbraw/zinc/66/77/04/944667704.db2.gz XZJJCVFCPPUZJN-IRXDYDNUSA-N 1 0 289.423 1.488 20 10 CDCDRO COc1cc(C[NH+]2CCC(C)(O)CC2)c(O)c(OC)c1 ZINC001237674431 944917228 /nfs/dbraw/zinc/91/72/28/944917228.db2.gz HGALGVWYLGALOR-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(O)c(OC)c1 ZINC001237674740 944918000 /nfs/dbraw/zinc/91/80/00/944918000.db2.gz MGFXUMRARXEEQQ-OLZOCXBDSA-N 1 0 299.342 1.704 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237669827 944918257 /nfs/dbraw/zinc/91/82/57/944918257.db2.gz PAEBUXSLRWJMHZ-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c(OC)c1 ZINC001237678575 944923967 /nfs/dbraw/zinc/92/39/67/944923967.db2.gz PKIRWCHCJQKGKR-IINYFYTJSA-N 1 0 279.336 1.630 20 10 CDCDRO O=c1cc(C2=CCC[NH2+]C2)ccn1CC(F)(F)F ZINC001240669906 945980352 /nfs/dbraw/zinc/98/03/52/945980352.db2.gz BMVBOGXRXIHAJB-UHFFFAOYSA-N 1 0 258.243 1.787 20 10 CDCDRO O=C(C[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1)c1ccc(O)c(O)c1 ZINC001254925872 947655062 /nfs/dbraw/zinc/65/50/62/947655062.db2.gz CKYIVLSPABFICI-GHMZBOCLSA-N 1 0 289.331 1.628 20 10 CDCDRO O=C1C[C@H]2C[C@H]([NH2+]CCc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001254930926 947660204 /nfs/dbraw/zinc/66/02/04/947660204.db2.gz LXCIFZBTKIKLFS-ITGUQSILSA-N 1 0 275.348 1.988 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCSC2)cc1O ZINC001255267785 947795528 /nfs/dbraw/zinc/79/55/28/947795528.db2.gz RCFCPJKRTDOMGL-BXKDBHETSA-N 1 0 255.339 1.226 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)CN1 ZINC001246344247 948120822 /nfs/dbraw/zinc/12/08/22/948120822.db2.gz PRPMDYLCXKSHIJ-YPMHNXCESA-N 1 0 278.352 1.002 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001257043630 948495515 /nfs/dbraw/zinc/49/55/15/948495515.db2.gz XSQIVPZUDQZQSI-CMPLNLGQSA-N 1 0 279.336 1.919 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC001249172409 949440050 /nfs/dbraw/zinc/44/00/50/949440050.db2.gz MDYOERQKDLCEQO-UHFFFAOYSA-N 1 0 291.347 1.330 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(O)c1 ZINC001249177528 949442839 /nfs/dbraw/zinc/44/28/39/949442839.db2.gz BZSMDASIGXOFSA-FZMZJTMJSA-N 1 0 293.363 1.453 20 10 CDCDRO COc1cccc([C@@H](O)C[NH2+]Cc2cccc(O)c2O)c1 ZINC001250734276 950336179 /nfs/dbraw/zinc/33/61/79/950336179.db2.gz IXGGWYUDSPLGIU-HNNXBMFYSA-N 1 0 289.331 1.930 20 10 CDCDRO CCOc1ccc(N2CC[NH+](C[C@H](O)CC)CC2)cc1 ZINC001251782560 950820134 /nfs/dbraw/zinc/82/01/34/950820134.db2.gz IXJWTABXFDGTPO-OAHLLOKOSA-N 1 0 278.396 1.978 20 10 CDCDRO COc1ccc(N2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC001252355130 951209046 /nfs/dbraw/zinc/20/90/46/951209046.db2.gz DOBBBOJPBBBVHW-UHFFFAOYSA-N 1 0 278.396 1.897 20 10 CDCDRO C[C@@H](NC(=O)NCCCC[NH3+])c1ccc(N(C)C)cc1 ZINC001325366678 953864264 /nfs/dbraw/zinc/86/42/64/953864264.db2.gz NYLSBJMGCITYEX-GFCCVEGCSA-N 1 0 278.400 1.852 20 10 CDCDRO CC[C@@H](C(=O)NCc1c(O)cccc1O)[NH+](CC)CC ZINC001304053101 956157132 /nfs/dbraw/zinc/15/71/32/956157132.db2.gz CGFMZMNTNNSXOO-LBPRGKRZSA-N 1 0 280.368 1.834 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@H]2CCC(=O)N2)c1 ZINC001308869320 956593492 /nfs/dbraw/zinc/59/34/92/956593492.db2.gz ORSQZCLJMVHJGL-WCQYABFASA-N 1 0 262.353 1.847 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)CCF)c1O ZINC001332718801 957686776 /nfs/dbraw/zinc/68/67/76/957686776.db2.gz UXYUWXUWHMZXNP-NSHDSACASA-N 1 0 257.305 1.519 20 10 CDCDRO C[C@H](NC(=O)NCc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001335535814 959871898 /nfs/dbraw/zinc/87/18/98/959871898.db2.gz AGTQCIAFKZDNAF-AAEUAGOBSA-N 1 0 276.384 1.456 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N)cc1 ZINC001335687189 959974011 /nfs/dbraw/zinc/97/40/11/959974011.db2.gz NUJGANDGDSGIST-LLVKDONJSA-N 1 0 264.373 1.408 20 10 CDCDRO Nc1ccc(CNC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC001336239088 960267278 /nfs/dbraw/zinc/26/72/78/960267278.db2.gz ITNUIAPYXNYFKP-UHFFFAOYSA-N 1 0 276.384 1.730 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC001336289872 960289782 /nfs/dbraw/zinc/28/97/82/960289782.db2.gz BKFFWAAMWVZEQR-LBPRGKRZSA-N 1 0 262.357 1.149 20 10 CDCDRO Nc1ccc(C[N@H+](CCN2CCOCC2)CC2CC2)cc1 ZINC001337838174 961460290 /nfs/dbraw/zinc/46/02/90/961460290.db2.gz JNSWOORMWVFURG-UHFFFAOYSA-N 1 0 289.423 1.813 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC001337838248 961460599 /nfs/dbraw/zinc/46/05/99/961460599.db2.gz MQONSYULJWZREN-AWEZNQCLSA-N 1 0 250.342 1.242 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CC[N@@H+]1C ZINC001338731338 961965766 /nfs/dbraw/zinc/96/57/66/961965766.db2.gz GTVDRNTVJDWDAL-RISCZKNCSA-N 1 0 276.384 1.551 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N)cc3)C[C@@H]21 ZINC001338791907 961996416 /nfs/dbraw/zinc/99/64/16/961996416.db2.gz CCZKTJLYVVCTOQ-OCCSQVGLSA-N 1 0 274.368 1.114 20 10 CDCDRO C[C@@H](NC(=O)C12CCC(CC1)[NH2+]2)c1ccccc1O ZINC001341541306 963456162 /nfs/dbraw/zinc/45/61/62/963456162.db2.gz QJYRIEVLIVESHT-RWWNRMGGSA-N 1 0 260.337 1.854 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N)cc1 ZINC001345159511 964611364 /nfs/dbraw/zinc/61/13/64/964611364.db2.gz JHLJQINFFRFBGN-AWEZNQCLSA-N 1 0 266.341 1.327 20 10 CDCDRO CC[N@H+](CCNC(=O)NCc1ccc(N)cc1)C1CC1 ZINC001353311897 967885616 /nfs/dbraw/zinc/88/56/16/967885616.db2.gz PHEBNBDQNXBSNZ-UHFFFAOYSA-N 1 0 276.384 1.552 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000848425900 969086561 /nfs/dbraw/zinc/08/65/61/969086561.db2.gz FONLFLMWYGTLHZ-JTQLQIEISA-N 1 0 262.353 1.495 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC001357465171 969596248 /nfs/dbraw/zinc/59/62/48/969596248.db2.gz ZZPORZJZKLQZMJ-GXTWGEPZSA-N 1 0 276.384 1.586 20 10 CDCDRO CC1(CNC(=O)NCc2ccc(N)cc2)CC[NH2+]CC1 ZINC001357464769 969596604 /nfs/dbraw/zinc/59/66/04/969596604.db2.gz WLONZGNXGWXHJZ-UHFFFAOYSA-N 1 0 276.384 1.458 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](O)C[NH3+] ZINC001521560884 970318297 /nfs/dbraw/zinc/31/82/97/970318297.db2.gz JJYMTXNRRWNJOV-HNNXBMFYSA-N 1 0 293.411 1.199 20 10 CDCDRO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC001576181719 1171349701 /nfs/dbraw/zinc/34/97/01/1171349701.db2.gz QFBJWRKAPRCTRG-NSHDSACASA-N 1 0 261.369 1.539 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccccc1O ZINC001576900832 1171554995 /nfs/dbraw/zinc/55/49/95/1171554995.db2.gz XDKPOMFSHCQPMQ-BREBYQMCSA-N 1 0 278.352 1.682 20 10 CDCDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084963953 342382290 /nfs/dbraw/zinc/38/22/90/342382290.db2.gz XVMOBXAFZVQXNH-CYBMUJFWSA-N 1 0 282.359 1.727 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC[C@@H](C)CCO)cc1OC ZINC000295025875 199307036 /nfs/dbraw/zinc/30/70/36/199307036.db2.gz CRVDFWSOVVBFKM-LLVKDONJSA-N 1 0 283.368 1.908 20 10 CDCDRO C[NH2+][C@@H](C)CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418099458 530039846 /nfs/dbraw/zinc/03/98/46/530039846.db2.gz NKITWGGODGYOSV-NSHDSACASA-N 1 0 288.395 1.894 20 10 CDCDRO COC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000007075338 344952432 /nfs/dbraw/zinc/95/24/32/344952432.db2.gz NGUKMHFXIGANLM-UHFFFAOYSA-N 1 0 293.319 1.506 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1C ZINC000292531038 198322977 /nfs/dbraw/zinc/32/29/77/198322977.db2.gz FMGRVRZLWSUGKO-KGLIPLIRSA-N 1 0 265.353 1.633 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000036794588 356884710 /nfs/dbraw/zinc/88/47/10/356884710.db2.gz NQYYEQCGJHOUBH-SECBINFHSA-N 1 0 252.314 1.015 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298545677 356887927 /nfs/dbraw/zinc/88/79/27/356887927.db2.gz YBMGVNOIPOKWCD-AWEZNQCLSA-N 1 0 293.411 1.072 20 10 CDCDRO CC(C)NC(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295879787 357572007 /nfs/dbraw/zinc/57/20/07/357572007.db2.gz HNZJPCXYVCCWRU-LBPRGKRZSA-N 1 0 262.353 1.884 20 10 CDCDRO COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cccc(Cl)c1[O-] ZINC000188785574 357937305 /nfs/dbraw/zinc/93/73/05/357937305.db2.gz UDIHKEIHLODYRR-RYUDHWBXSA-N 1 0 299.754 1.544 20 10 CDCDRO COCCC[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000188935553 357954589 /nfs/dbraw/zinc/95/45/89/357954589.db2.gz GATQIELWLFVJBQ-UHFFFAOYSA-N 1 0 266.385 1.583 20 10 CDCDRO COc1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1O ZINC000365565139 359543321 /nfs/dbraw/zinc/54/33/21/359543321.db2.gz XTNKSXNCTMTESY-GFCCVEGCSA-N 1 0 263.337 1.869 20 10 CDCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(F)ccc1O ZINC000226615466 359704536 /nfs/dbraw/zinc/70/45/36/359704536.db2.gz JLXAOZBMJIHEPA-XYZCENFISA-N 1 0 259.346 1.778 20 10 CDCDRO COCCOCCC[NH2+]Cc1cccc(C)c1O ZINC000124675223 360389084 /nfs/dbraw/zinc/38/90/84/360389084.db2.gz QAGJBLCQDXGVOK-UHFFFAOYSA-N 1 0 253.342 1.843 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168869445 361544819 /nfs/dbraw/zinc/54/48/19/361544819.db2.gz AXZXMKAQIQBIGX-GSRNSYJJSA-N 1 0 259.346 1.949 20 10 CDCDRO Cc1nnc2n1CCN(Cc1cccc(C)c1O)C2 ZINC000374994638 370778451 /nfs/dbraw/zinc/77/84/51/370778451.db2.gz AYANOCGKUSKUIY-UHFFFAOYSA-N 1 0 258.325 1.616 20 10 CDCDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000270556718 364652592 /nfs/dbraw/zinc/65/25/92/364652592.db2.gz OHXGZDVCQDJBRZ-NSHDSACASA-N 1 0 293.241 1.524 20 10 CDCDRO CCOc1cccc(C[N@H+](CCO)C(C)C)c1O ZINC000271041614 364887480 /nfs/dbraw/zinc/88/74/80/364887480.db2.gz OJFSKSGZGYHCKP-UHFFFAOYSA-N 1 0 253.342 1.994 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1OC ZINC000271101059 364922347 /nfs/dbraw/zinc/92/23/47/364922347.db2.gz PHRVXOHVZJDDKE-NSHDSACASA-N 1 0 294.351 1.072 20 10 CDCDRO CNS(=O)(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000271762061 364996265 /nfs/dbraw/zinc/99/62/65/364996265.db2.gz YWWGTVNOIZXELV-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)c(O)c1 ZINC000181232516 365025932 /nfs/dbraw/zinc/02/59/32/365025932.db2.gz IJAHQLDPKNQHNI-LBPRGKRZSA-N 1 0 278.352 1.210 20 10 CDCDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1O ZINC000293850513 370824564 /nfs/dbraw/zinc/82/45/64/370824564.db2.gz HSYLGIQVNZTBQY-OLZOCXBDSA-N 1 0 285.771 1.984 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000295944515 378703507 /nfs/dbraw/zinc/70/35/07/378703507.db2.gz LQTDIGAFYZLPFZ-QSGSBWRWSA-N 1 0 277.364 1.681 20 10 CDCDRO COC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000296604388 285222224 /nfs/dbraw/zinc/22/22/24/285222224.db2.gz XXZRNLOOFOXEQG-NEPJUHHUSA-N 1 0 251.326 1.631 20 10 CDCDRO NC(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCOCC1 ZINC000119487381 390849383 /nfs/dbraw/zinc/84/93/83/390849383.db2.gz VOTLGZHBFATILD-UHFFFAOYSA-N 1 0 298.770 1.417 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000093817927 390904943 /nfs/dbraw/zinc/90/49/43/390904943.db2.gz YUBHFKRTUWZELO-HNNXBMFYSA-N 1 0 290.407 1.855 20 10 CDCDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151549899 390965863 /nfs/dbraw/zinc/96/58/63/390965863.db2.gz RUTIQLGYBNLNCG-GFCCVEGCSA-N 1 0 296.386 1.911 20 10 CDCDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccccc1O ZINC000174639674 391124455 /nfs/dbraw/zinc/12/44/55/391124455.db2.gz RUHQETKITKUNSF-UHFFFAOYSA-N 1 0 271.382 1.695 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccccc1O ZINC000183628602 391267813 /nfs/dbraw/zinc/26/78/13/391267813.db2.gz HSTJVMHVNREZKL-NWDGAFQWSA-N 1 0 298.408 1.467 20 10 CDCDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000193498037 391340465 /nfs/dbraw/zinc/34/04/65/391340465.db2.gz ILFUROBPFHRMBE-JOYOIKCWSA-N 1 0 267.300 1.963 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(O)c1 ZINC000193679871 391344111 /nfs/dbraw/zinc/34/41/11/391344111.db2.gz XIFZEAFHFHLCCD-ABAIWWIYSA-N 1 0 292.379 1.795 20 10 CDCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCNC1=O ZINC000281905232 391422663 /nfs/dbraw/zinc/42/26/63/391422663.db2.gz ZMFUMJBOZDXVHP-NSHDSACASA-N 1 0 252.289 1.242 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296618227 292629821 /nfs/dbraw/zinc/62/98/21/292629821.db2.gz YZVASYJXAWVAGV-NWDGAFQWSA-N 1 0 251.326 1.367 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000090849201 260262625 /nfs/dbraw/zinc/26/26/25/260262625.db2.gz XHUVHNHPMJETER-DOMZBBRYSA-N 1 0 264.369 1.555 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1C ZINC000091864518 260487292 /nfs/dbraw/zinc/48/72/92/260487292.db2.gz VTHFLRZCXPUERP-ZDUSSCGKSA-N 1 0 275.352 1.218 20 10 CDCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151549848 260982360 /nfs/dbraw/zinc/98/23/60/260982360.db2.gz RUTIQLGYBNLNCG-LBPRGKRZSA-N 1 0 296.386 1.911 20 10 CDCDRO NC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000157159838 261141569 /nfs/dbraw/zinc/14/15/69/261141569.db2.gz ASXHBPFXXRXYSV-QMMMGPOBSA-N 1 0 254.717 1.353 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOCCO)cc1 ZINC000159108927 261178997 /nfs/dbraw/zinc/17/89/97/261178997.db2.gz MJZVTOPVDMNINQ-CYBMUJFWSA-N 1 0 266.385 1.802 20 10 CDCDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(O)c1O ZINC000186838933 262112191 /nfs/dbraw/zinc/11/21/91/262112191.db2.gz RNBSSFYPJAKFRK-UHFFFAOYSA-N 1 0 276.336 1.454 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c1 ZINC000186220403 262312358 /nfs/dbraw/zinc/31/23/58/262312358.db2.gz YINIDERFVARCHB-SECBINFHSA-N 1 0 266.341 1.563 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)ccc21 ZINC000372449184 267565692 /nfs/dbraw/zinc/56/56/92/267565692.db2.gz YECCAPQAUZDIOE-MAUKXSAKSA-N 1 0 299.418 1.685 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000278748269 279046815 /nfs/dbraw/zinc/04/68/15/279046815.db2.gz WBSNWOJQPHYRLP-XHDPSFHLSA-N 1 0 282.359 1.521 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000285363798 293186662 /nfs/dbraw/zinc/18/66/62/293186662.db2.gz VREGWIOTIDTWNN-VXGBXAGGSA-N 1 0 253.342 1.667 20 10 CDCDRO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000179099770 327799444 /nfs/dbraw/zinc/79/94/44/327799444.db2.gz BHXKSIFUGUOGRU-CQSZACIVSA-N 1 0 298.390 1.923 20 10 CDCDRO COc1cccc(C[NH2+]CCS(=O)(=O)C(C)C)c1O ZINC000290172506 328114117 /nfs/dbraw/zinc/11/41/17/328114117.db2.gz MYYBWETXTBFTQL-UHFFFAOYSA-N 1 0 287.381 1.314 20 10 CDCDRO CC1(C)C(=O)NCCN1Cc1cccc(F)c1O ZINC000272284474 328199608 /nfs/dbraw/zinc/19/96/08/328199608.db2.gz NDHFDBAWQYFDIE-UHFFFAOYSA-N 1 0 252.289 1.242 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@H]1CC[C@H](O)CC1)OCO2 ZINC000252703469 334385706 /nfs/dbraw/zinc/38/57/06/334385706.db2.gz KAUAAXQCYFMVSW-XYPYZODXSA-N 1 0 265.309 1.514 20 10 CDCDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001168967870 1161996201 /nfs/dbraw/zinc/99/62/01/1161996201.db2.gz UAEFWMXAZFZUOS-PXWWUCIGSA-N 1 0 296.323 1.166 20 10 CDCDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000279851729 519539018 /nfs/dbraw/zinc/53/90/18/519539018.db2.gz RWDQKTVOARTJFZ-ZDUSSCGKSA-N 1 0 262.353 1.740 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186813659 520171863 /nfs/dbraw/zinc/17/18/63/520171863.db2.gz YLDXAUAVBLAFIA-NSHDSACASA-N 1 0 250.342 1.830 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000276512647 521655783 /nfs/dbraw/zinc/65/57/83/521655783.db2.gz DYOFCGLOLQKXSI-VIFPVBQESA-N 1 0 282.315 1.451 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCOC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000364857216 521869715 /nfs/dbraw/zinc/86/97/15/521869715.db2.gz KFMQMPVRBKXUIE-SNVBAGLBSA-N 1 0 296.323 1.777 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278194998 521871382 /nfs/dbraw/zinc/87/13/82/521871382.db2.gz IMSFCEJQARYUSB-SNVBAGLBSA-N 1 0 296.323 1.920 20 10 CDCDRO COc1c(O)c(C[N@H+](CCO)C2CC2)ccc1[N+](=O)[O-] ZINC000278161746 521871935 /nfs/dbraw/zinc/87/19/35/521871935.db2.gz DOOBRTFEWRJYQV-UHFFFAOYSA-N 1 0 282.296 1.266 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000040825784 522200724 /nfs/dbraw/zinc/20/07/24/522200724.db2.gz XQQLAEAIAXZKBE-AWEZNQCLSA-N 1 0 261.369 1.511 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000279347688 522359782 /nfs/dbraw/zinc/35/97/82/522359782.db2.gz FXOYMJGXNCWNFZ-OCCSQVGLSA-N 1 0 269.316 1.815 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2COC[C@@H]2OC)c1O ZINC000290811735 522543344 /nfs/dbraw/zinc/54/33/44/522543344.db2.gz GDPBOLZNXUHSDG-JQWIXIFHSA-N 1 0 287.743 1.558 20 10 CDCDRO C[NH+]1CCC(CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000044514996 523762190 /nfs/dbraw/zinc/76/21/90/523762190.db2.gz OUWDXGZIZXMWLD-UHFFFAOYSA-N 1 0 261.369 1.269 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000093899020 524080527 /nfs/dbraw/zinc/08/05/27/524080527.db2.gz YDXALPJZYHLQJO-LBPRGKRZSA-N 1 0 264.369 1.823 20 10 CDCDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000292969175 524433001 /nfs/dbraw/zinc/43/30/01/524433001.db2.gz KCIOQQXZFUUKGF-BMIGLBTASA-N 1 0 279.336 1.762 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276754792 524744091 /nfs/dbraw/zinc/74/40/91/524744091.db2.gz FZWPHYMSYWGNTH-ZDUSSCGKSA-N 1 0 290.363 1.598 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1CO ZINC000276724662 524996091 /nfs/dbraw/zinc/99/60/91/524996091.db2.gz AOGAFNCAKKULDF-YPMHNXCESA-N 1 0 266.360 1.952 20 10 CDCDRO OCCOC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000769538002 575357706 /nfs/dbraw/zinc/35/77/06/575357706.db2.gz OMSILKRSHXPEMC-UHFFFAOYSA-N 1 0 295.335 1.094 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+][C@@H](C)C2)c(O)c1 ZINC000768140453 576260362 /nfs/dbraw/zinc/26/03/62/576260362.db2.gz PTAFOOOWLNWCAE-NSHDSACASA-N 1 0 250.342 1.585 20 10 CDCDRO CN1CCO[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]21 ZINC000769484165 576358176 /nfs/dbraw/zinc/35/81/76/576358176.db2.gz SMAHRYVYNGUWAL-OCCSQVGLSA-N 1 0 282.771 1.560 20 10 CDCDRO COc1ccc(N2CC[NH+](CC3(C)COC3)CC2)cc1F ZINC000753860528 576863057 /nfs/dbraw/zinc/86/30/57/576863057.db2.gz GHBNILGPRDKJRV-UHFFFAOYSA-N 1 0 294.370 1.993 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCOC2)c(O)c1 ZINC000754839871 576918495 /nfs/dbraw/zinc/91/84/95/576918495.db2.gz HSYCIXPKBZMAFI-CQSZACIVSA-N 1 0 267.325 1.032 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2c1c(F)ccc2O ZINC000756524597 576993758 /nfs/dbraw/zinc/99/37/58/576993758.db2.gz HOPRLCIFOBKOBH-FXPVBKGRSA-N 1 0 278.327 1.900 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000757865014 577058536 /nfs/dbraw/zinc/05/85/36/577058536.db2.gz JZBXHMUBYQPVLP-UHFFFAOYSA-N 1 0 265.357 1.404 20 10 CDCDRO CCCC[C@H](C[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892039967 617435250 /nfs/dbraw/zinc/43/52/50/617435250.db2.gz GDFBLDZJVWPZOS-GFCCVEGCSA-N 1 0 277.368 1.935 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000040620423 617443061 /nfs/dbraw/zinc/44/30/61/617443061.db2.gz MECQABBKHXLVDN-AWEZNQCLSA-N 1 0 275.396 1.658 20 10 CDCDRO COc1ccc(C[NH2+]Cc2ccnn2C)c(O)c1OC ZINC000892551303 617497194 /nfs/dbraw/zinc/49/71/94/617497194.db2.gz FIOZUIGDIJPEDL-UHFFFAOYSA-N 1 0 277.324 1.433 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1O ZINC000892170195 617523298 /nfs/dbraw/zinc/52/32/98/617523298.db2.gz PYBNWPXADWDQIH-WOPDTQHZSA-N 1 0 277.368 1.880 20 10 CDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892199297 617545959 /nfs/dbraw/zinc/54/59/59/617545959.db2.gz LXCGSUPDZOVKKK-VHSXEESVSA-N 1 0 263.341 1.543 20 10 CDCDRO COCC(COC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840951172 617735879 /nfs/dbraw/zinc/73/58/79/617735879.db2.gz UCPINJZZNINHDK-UHFFFAOYSA-N 1 0 266.385 1.812 20 10 CDCDRO COc1ccc(C[N@H+](C)CCCCO)c(O)c1OC ZINC000893949635 618217165 /nfs/dbraw/zinc/21/71/65/618217165.db2.gz TZTJIBSPRYFKKG-UHFFFAOYSA-N 1 0 269.341 1.614 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CNCCO2)c1O ZINC000841099708 618682115 /nfs/dbraw/zinc/68/21/15/618682115.db2.gz WERVYSUPOZFITJ-LLVKDONJSA-N 1 0 286.759 1.132 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000894197547 618686537 /nfs/dbraw/zinc/68/65/37/618686537.db2.gz VQFBFYCIQYZOQI-GFCCVEGCSA-N 1 0 292.379 1.810 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(OC)c(OC)c1O ZINC000894640632 619001382 /nfs/dbraw/zinc/00/13/82/619001382.db2.gz GPCJHRJNAXTMTR-ZDUSSCGKSA-N 1 0 294.395 1.935 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(OC)c(OC)c1O ZINC000894640630 619001443 /nfs/dbraw/zinc/00/14/43/619001443.db2.gz GPCJHRJNAXTMTR-CYBMUJFWSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC(C)=NO2)cc1OC ZINC000895306803 619533691 /nfs/dbraw/zinc/53/36/91/619533691.db2.gz KEDNJPRLILSKGQ-NSHDSACASA-N 1 0 280.324 1.664 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c(O)c1 ZINC000895317885 619549450 /nfs/dbraw/zinc/54/94/50/619549450.db2.gz QBHALQSAJWOMTL-ZDUSSCGKSA-N 1 0 278.352 1.405 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1F ZINC000895317601 619549872 /nfs/dbraw/zinc/54/98/72/619549872.db2.gz XPUZQOXGXWGPTM-ZDUSSCGKSA-N 1 0 279.359 1.506 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000895749638 619825691 /nfs/dbraw/zinc/82/56/91/619825691.db2.gz UOQYBWLUBPAVHP-OLZOCXBDSA-N 1 0 265.353 1.720 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000895749637 619825959 /nfs/dbraw/zinc/82/59/59/619825959.db2.gz UOQYBWLUBPAVHP-CHWSQXEVSA-N 1 0 265.353 1.720 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895784799 619841414 /nfs/dbraw/zinc/84/14/14/619841414.db2.gz MMIMCOYMRYMGTD-UHTWSYAYSA-N 1 0 263.337 1.604 20 10 CDCDRO CCOCCOCC[NH2+]Cc1cccc(C)c1O ZINC000897204079 620417017 /nfs/dbraw/zinc/41/70/17/620417017.db2.gz JEZRIKSRUMDTQF-UHFFFAOYSA-N 1 0 253.342 1.843 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cccc(C)c1O ZINC000897710589 621084401 /nfs/dbraw/zinc/08/44/01/621084401.db2.gz XVXMGPKRXSIEGB-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO CCOC[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045826 621588689 /nfs/dbraw/zinc/58/86/89/621588689.db2.gz QYEFEDNWTVKUMW-SWLSCSKDSA-N 1 0 265.401 1.767 20 10 CDCDRO OCCOCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921492719 632996355 /nfs/dbraw/zinc/99/63/55/632996355.db2.gz YMSCGKVLXNKXQR-UHFFFAOYSA-N 1 0 251.326 1.110 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921739313 633254493 /nfs/dbraw/zinc/25/44/93/633254493.db2.gz ZZYIRVPHUHHITO-LLVKDONJSA-N 1 0 283.393 1.534 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000706846342 1158765102 /nfs/dbraw/zinc/76/51/02/1158765102.db2.gz FSQJOJZDWKSKLU-MRVPVSSYSA-N 1 0 271.158 1.688 20 10 CDCDRO Cc1ccc(O)c(CNc2cc[nH+]cc2-c2nn[nH]n2)c1 ZINC001581209368 1172594748 /nfs/dbraw/zinc/59/47/48/1172594748.db2.gz DDIKHFSWVWIXDP-UHFFFAOYSA-N 1 0 282.307 1.310 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179691330 1182218548 /nfs/dbraw/zinc/21/85/48/1182218548.db2.gz DFXWYZOQVBVOLK-CQSZACIVSA-N 1 0 262.353 1.801 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(CO)CCOC2)c1 ZINC000184192340 1182262467 /nfs/dbraw/zinc/26/24/67/1182262467.db2.gz SBCFLFZEKKLQQW-CQSZACIVSA-N 1 0 267.325 1.032 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+]C[C@@H]2C)c(O)c1 ZINC000843047993 818019980 /nfs/dbraw/zinc/01/99/80/818019980.db2.gz HBAOENONSFOPSF-NSHDSACASA-N 1 0 250.342 1.585 20 10 CDCDRO COCCNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048282 818128003 /nfs/dbraw/zinc/12/80/03/818128003.db2.gz GGKIIWQCMSWJDV-UHFFFAOYSA-N 1 0 257.721 1.306 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2cccc(C)c2O)CC1=O ZINC000846098162 818199106 /nfs/dbraw/zinc/19/91/06/818199106.db2.gz ZVLAAHLHAKROFM-LBPRGKRZSA-N 1 0 262.353 1.659 20 10 CDCDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000378713789 818217720 /nfs/dbraw/zinc/21/77/20/818217720.db2.gz WMYPEUMBSUTLIZ-MWLCHTKSSA-N 1 0 272.142 1.768 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)CCF)cc1F ZINC000858183554 818245004 /nfs/dbraw/zinc/24/50/04/818245004.db2.gz HZPCUIDPRBCZCU-JTQLQIEISA-N 1 0 276.302 1.841 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000840957155 818276093 /nfs/dbraw/zinc/27/60/93/818276093.db2.gz GJDFRMYNZIDNHX-SNVBAGLBSA-N 1 0 282.771 1.956 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2cccc(C)c2O)CC1=O ZINC000846098161 818305671 /nfs/dbraw/zinc/30/56/71/818305671.db2.gz ZVLAAHLHAKROFM-GFCCVEGCSA-N 1 0 262.353 1.659 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824576530 818338224 /nfs/dbraw/zinc/33/82/24/818338224.db2.gz NFHWBRGFHKKOQB-CYBMUJFWSA-N 1 0 278.352 1.973 20 10 CDCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1nccn1C ZINC000817940286 818348522 /nfs/dbraw/zinc/34/85/22/818348522.db2.gz FPYZGPSRQCZWOD-SWLSCSKDSA-N 1 0 287.411 1.837 20 10 CDCDRO CCOc1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC000839145418 818453243 /nfs/dbraw/zinc/45/32/43/818453243.db2.gz IWVDRIZDKIFAAV-UHFFFAOYSA-N 1 0 251.326 1.605 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CCO)cc1OC ZINC000779202638 818539275 /nfs/dbraw/zinc/53/92/75/818539275.db2.gz RFONORADUBCHTR-GFCCVEGCSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2OCCO2)c1 ZINC000125446365 818541542 /nfs/dbraw/zinc/54/15/42/818541542.db2.gz NMCFDWRNIIGYFP-JTQLQIEISA-N 1 0 267.325 1.814 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000775833488 818637740 /nfs/dbraw/zinc/63/77/40/818637740.db2.gz JXOKFGCHLCKCIA-CZUORRHYSA-N 1 0 288.395 1.661 20 10 CDCDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000816667956 818729077 /nfs/dbraw/zinc/72/90/77/818729077.db2.gz AOBIICZZWJQNEU-KRWDZBQOSA-N 1 0 290.407 1.870 20 10 CDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000865663522 818738938 /nfs/dbraw/zinc/73/89/38/818738938.db2.gz YWZHKCMTTOONCV-OKILXGFUSA-N 1 0 294.370 1.523 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299923759 818807849 /nfs/dbraw/zinc/80/78/49/818807849.db2.gz XKUUMBAPLDEMTB-SMDDNHRTSA-N 1 0 262.353 1.585 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c(O)c1 ZINC000877368393 818816169 /nfs/dbraw/zinc/81/61/69/818816169.db2.gz HUXQQDRXSXVSSJ-INIZCTEOSA-N 1 0 295.379 1.883 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCN1CCOCC1 ZINC000062801581 818838941 /nfs/dbraw/zinc/83/89/41/818838941.db2.gz KSKRWGQWOAHJPD-UHFFFAOYSA-N 1 0 275.396 1.230 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1O ZINC000841746210 818856129 /nfs/dbraw/zinc/85/61/29/818856129.db2.gz DCPXFLGVGNIXQX-PSASIEDQSA-N 1 0 268.744 1.927 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(N)=O ZINC000182412388 818861590 /nfs/dbraw/zinc/86/15/90/818861590.db2.gz MHMHTFQSGZDDRP-GZMMTYOYSA-N 1 0 252.314 1.315 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000843508255 818862119 /nfs/dbraw/zinc/86/21/19/818862119.db2.gz UDKXNRODMFFHPH-CQSZACIVSA-N 1 0 273.380 1.602 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841893436 818866728 /nfs/dbraw/zinc/86/67/28/818866728.db2.gz FBKODBXWSFMVPG-LLVKDONJSA-N 1 0 286.322 1.830 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)[C@@H]1OC ZINC000877352447 818875058 /nfs/dbraw/zinc/87/50/58/818875058.db2.gz YHMPIDOPORHYFV-YUELXQCFSA-N 1 0 265.353 1.983 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1csnn1 ZINC000700897432 818897394 /nfs/dbraw/zinc/89/73/94/818897394.db2.gz BDEFHJBSQHRULH-UHFFFAOYSA-N 1 0 260.366 1.950 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C(=O)NCCF ZINC000840943041 818911905 /nfs/dbraw/zinc/91/19/05/818911905.db2.gz PWSBSBPHTGWQKK-LBPRGKRZSA-N 1 0 281.375 1.625 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846166839 818965324 /nfs/dbraw/zinc/96/53/24/818965324.db2.gz DIHHJBMLRUPDBU-ZJUUUORDSA-N 1 0 255.314 1.059 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H](CO)CC(C)C ZINC000882916558 818983297 /nfs/dbraw/zinc/98/32/97/818983297.db2.gz RHBZTPRDNCLRCB-NSHDSACASA-N 1 0 253.342 1.897 20 10 CDCDRO CCc1cccc(CN(CCOC)CC[NH+](C)C)c1O ZINC000848911166 819044531 /nfs/dbraw/zinc/04/45/31/819044531.db2.gz QQWXLIIRFJXKSM-UHFFFAOYSA-N 1 0 280.412 1.965 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852870214 819127738 /nfs/dbraw/zinc/12/77/38/819127738.db2.gz BQQQJSIUTUIQMW-LSDHHAIUSA-N 1 0 291.395 1.041 20 10 CDCDRO CCCOc1ccc(C[NH2+]CCN2CCNC2=O)cc1C ZINC000886323140 819150877 /nfs/dbraw/zinc/15/08/77/819150877.db2.gz JJIFGKZNEODTJK-UHFFFAOYSA-N 1 0 291.395 1.899 20 10 CDCDRO C[NH+](C)[C@@]1(CNC(=O)c2cccc(O)c2O)CCSC1 ZINC000790855311 819175372 /nfs/dbraw/zinc/17/53/72/819175372.db2.gz LDZGLTQMJQLFLT-CQSZACIVSA-N 1 0 296.392 1.265 20 10 CDCDRO C[N@@H+]1CCN(C(=O)Nc2ccc(N)cc2)CC1(C)C ZINC000104362891 819301350 /nfs/dbraw/zinc/30/13/50/819301350.db2.gz PBOGVIADPRIZBH-UHFFFAOYSA-N 1 0 262.357 1.827 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCOC2)cc1 ZINC000832278908 819326567 /nfs/dbraw/zinc/32/65/67/819326567.db2.gz GDORTVISYXGSJU-UKRRQHHQSA-N 1 0 291.395 1.295 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000190054722 819383609 /nfs/dbraw/zinc/38/36/09/819383609.db2.gz HQMYMKVUAUJYOH-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000817939567 819392133 /nfs/dbraw/zinc/39/21/33/819392133.db2.gz COVDUSDHLBEFNM-NOLJZWGESA-N 1 0 277.412 1.767 20 10 CDCDRO COc1ccc(C[NH2+]CCO)cc1Cn1cccn1 ZINC000873008605 819704733 /nfs/dbraw/zinc/70/47/33/819704733.db2.gz RIAVFEXXBNQLDJ-UHFFFAOYSA-N 1 0 261.325 1.022 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861583453 819715823 /nfs/dbraw/zinc/71/58/23/819715823.db2.gz VEHFBMSNULIIPC-GFCCVEGCSA-N 1 0 278.400 1.550 20 10 CDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CC12COC2 ZINC000824490036 819811880 /nfs/dbraw/zinc/81/18/80/819811880.db2.gz SPNCBTOKMOCZJR-CYBMUJFWSA-N 1 0 291.347 1.404 20 10 CDCDRO CC[NH2+]CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000844177301 819813716 /nfs/dbraw/zinc/81/37/16/819813716.db2.gz HNJATUOYSFXLDA-UHFFFAOYSA-N 1 0 253.321 1.117 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2CNC(C)=O)c1O ZINC000877675487 819828462 /nfs/dbraw/zinc/82/84/62/819828462.db2.gz RISPDXWYSWEKCW-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCc1ccc(N)cc1 ZINC000841955449 819846457 /nfs/dbraw/zinc/84/64/57/819846457.db2.gz CGISXNWXPZZNGF-NWDGAFQWSA-N 1 0 276.384 1.203 20 10 CDCDRO CCN1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000846208378 819893872 /nfs/dbraw/zinc/89/38/72/819893872.db2.gz JBLJNJMBDRKVQW-DGCLKSJQSA-N 1 0 274.364 1.838 20 10 CDCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841747241 820009886 /nfs/dbraw/zinc/00/98/86/820009886.db2.gz OZXUYQCDZSZJJW-MRVPVSSYSA-N 1 0 277.773 1.741 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882653 820020961 /nfs/dbraw/zinc/02/09/61/820020961.db2.gz MCTZQJQNFOBNHF-WCQYABFASA-N 1 0 276.384 1.475 20 10 CDCDRO O=S(=O)(CC[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000840963650 820079805 /nfs/dbraw/zinc/07/98/05/820079805.db2.gz CKLPJWTYVMZRBY-UHFFFAOYSA-N 1 0 289.784 1.712 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000877533473 820470887 /nfs/dbraw/zinc/47/08/87/820470887.db2.gz OTVCDZLIESQDDX-GFCCVEGCSA-N 1 0 283.393 1.615 20 10 CDCDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccccc1O ZINC000843121293 820525515 /nfs/dbraw/zinc/52/55/15/820525515.db2.gz CDHICCPZGCREQZ-CYBMUJFWSA-N 1 0 272.352 1.272 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840932155 820695668 /nfs/dbraw/zinc/69/56/68/820695668.db2.gz NWVKVSAAUQBKLX-UHFFFAOYSA-N 1 0 284.425 1.585 20 10 CDCDRO COc1cccc(CN[C@@H](CC[NH3+])C(F)F)c1O ZINC000841072922 820696068 /nfs/dbraw/zinc/69/60/68/820696068.db2.gz CUUPTKUMBLEWAZ-VIFPVBQESA-N 1 0 260.284 1.473 20 10 CDCDRO C[C@@H]1CN(Cc2cc(Br)ccc2O)CC[NH2+]1 ZINC000092456745 820821707 /nfs/dbraw/zinc/82/17/07/820821707.db2.gz CCQVXRKMTMCGHL-SECBINFHSA-N 1 0 285.185 1.948 20 10 CDCDRO C[C@H]([NH2+]CC1(O)CCOCC1)c1ccccc1O ZINC000162314954 820860431 /nfs/dbraw/zinc/86/04/31/820860431.db2.gz AQUSHMXLSGQEQH-NSHDSACASA-N 1 0 251.326 1.584 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnns1 ZINC000700899590 820883179 /nfs/dbraw/zinc/88/31/79/820883179.db2.gz RYVGPGXTZLKPJE-UHFFFAOYSA-N 1 0 260.366 1.950 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000211419353 820884434 /nfs/dbraw/zinc/88/44/34/820884434.db2.gz KKXJYSCIMMCLSZ-NSHDSACASA-N 1 0 278.352 1.647 20 10 CDCDRO CC[NH+]1CCN(CCC(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877077790 820893005 /nfs/dbraw/zinc/89/30/05/820893005.db2.gz URZUNZZQQMQLLA-UHFFFAOYSA-N 1 0 290.411 1.259 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000070175458 820937208 /nfs/dbraw/zinc/93/72/08/820937208.db2.gz KIRIKKWBIQMVND-SMDDNHRTSA-N 1 0 264.369 1.960 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000128108614 821014381 /nfs/dbraw/zinc/01/43/81/821014381.db2.gz SVQFGNJHNMQXCD-AAEUAGOBSA-N 1 0 264.369 1.973 20 10 CDCDRO CC(=O)NC[C@H]1CN(Cc2c(C)cccc2O)CCO1 ZINC000876742699 821018609 /nfs/dbraw/zinc/01/86/09/821018609.db2.gz RFJQUWGZUSUOHQ-ZDUSSCGKSA-N 1 0 278.352 1.038 20 10 CDCDRO C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(Cl)c1[O-] ZINC000843052904 821022611 /nfs/dbraw/zinc/02/26/11/821022611.db2.gz OLJFMNPPZFNEAN-UHFFFAOYSA-N 1 0 283.803 1.383 20 10 CDCDRO COc1cccc(C[N@H+](C[C@H](C)O)C2CC2)c1O ZINC000848929246 821057521 /nfs/dbraw/zinc/05/75/21/821057521.db2.gz UVEQOSCTQVBFNE-JTQLQIEISA-N 1 0 251.326 1.746 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000859665003 821085101 /nfs/dbraw/zinc/08/51/01/821085101.db2.gz KSWFVSGFWWQKMZ-AWEZNQCLSA-N 1 0 261.369 1.592 20 10 CDCDRO CC[NH+]1CCC(NC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858272311 821089494 /nfs/dbraw/zinc/08/94/94/821089494.db2.gz FNDLBMFDSWYZML-UHFFFAOYSA-N 1 0 291.395 1.984 20 10 CDCDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817979644 821098972 /nfs/dbraw/zinc/09/89/72/821098972.db2.gz CINCVFCBHITNRV-XJKSGUPXSA-N 1 0 277.412 1.782 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000843434072 821116117 /nfs/dbraw/zinc/11/61/17/821116117.db2.gz HILLEPDRPNYLKJ-CMPLNLGQSA-N 1 0 299.754 1.401 20 10 CDCDRO [NH3+]CCCOC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843056245 821277016 /nfs/dbraw/zinc/27/70/16/821277016.db2.gz FSKZZVQLRRIAQU-UHFFFAOYSA-N 1 0 282.359 1.861 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1F ZINC000841759463 821305219 /nfs/dbraw/zinc/30/52/19/821305219.db2.gz GBOSYGBAOQZHGT-LBPRGKRZSA-N 1 0 294.374 1.443 20 10 CDCDRO O=C(Cc1ncc[nH]1)NCc1c(O)ccc2c1CCCC2 ZINC000816938511 821307816 /nfs/dbraw/zinc/30/78/16/821307816.db2.gz CKQAOVIHMZESKC-UHFFFAOYSA-N 1 0 285.347 1.853 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCCF)cc1 ZINC000887139936 821322581 /nfs/dbraw/zinc/32/25/81/821322581.db2.gz KEQFQYXBVSKQAH-UHFFFAOYSA-N 1 0 281.375 1.660 20 10 CDCDRO CCc1cccc(C[NH2+][C@@]2(CC(=O)OC)CCOC2)c1O ZINC000848902675 821354481 /nfs/dbraw/zinc/35/44/81/821354481.db2.gz GFWQZHPPPISCMZ-MRXNPFEDSA-N 1 0 293.363 1.766 20 10 CDCDRO COc1cccc(C[NH2+]CCN(C)CC(F)F)c1O ZINC000858336570 821362100 /nfs/dbraw/zinc/36/21/00/821362100.db2.gz MCPIBMYUHIJNBA-UHFFFAOYSA-N 1 0 274.311 1.687 20 10 CDCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)[N@H+]1CCO ZINC000824926188 821389642 /nfs/dbraw/zinc/38/96/42/821389642.db2.gz MBDLVVVXFMYCBB-TXEJJXNPSA-N 1 0 282.359 1.418 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802010807 821447326 /nfs/dbraw/zinc/44/73/26/821447326.db2.gz HMKOLXBERLMAMJ-AWEZNQCLSA-N 1 0 252.333 1.659 20 10 CDCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000879163890 821578828 /nfs/dbraw/zinc/57/88/28/821578828.db2.gz NYTFFOYNDQGGME-CQSZACIVSA-N 1 0 285.315 1.221 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000382465258 821817921 /nfs/dbraw/zinc/81/79/21/821817921.db2.gz ZPYSAWYPMNKDII-LLVKDONJSA-N 1 0 271.311 1.351 20 10 CDCDRO Cc1cc(C(=O)N(C)CCC[NH3+])c(C)n1-c1ccccn1 ZINC000158834281 821848756 /nfs/dbraw/zinc/84/87/56/821848756.db2.gz TTXNYNLBSNQBEA-UHFFFAOYSA-N 1 0 286.379 1.910 20 10 CDCDRO C[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)c1ccccc1O ZINC000827936895 821851809 /nfs/dbraw/zinc/85/18/09/821851809.db2.gz FVOFNCIMCSOAFL-CHWSQXEVSA-N 1 0 291.395 1.205 20 10 CDCDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268712505 821852146 /nfs/dbraw/zinc/85/21/46/821852146.db2.gz KWZJYUSVLYKRCB-DZGCQCFKSA-N 1 0 278.396 1.945 20 10 CDCDRO O=C1[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCN1C1CCC1 ZINC000883191704 821854075 /nfs/dbraw/zinc/85/40/75/821854075.db2.gz HNIJOJNQSZLJCC-ZDUSSCGKSA-N 1 0 296.317 1.913 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000828667028 821855381 /nfs/dbraw/zinc/85/53/81/821855381.db2.gz LTWORGPLZSJPQC-XPTSAGLGSA-N 1 0 282.315 1.280 20 10 CDCDRO CC[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC000841955715 821877936 /nfs/dbraw/zinc/87/79/36/821877936.db2.gz LBDHSKVIEGYWGQ-DZGCQCFKSA-N 1 0 290.411 1.580 20 10 CDCDRO CN(CC[NH+]1CCCCC1)C(=O)Cc1ccc(N)cc1 ZINC000846701250 821895016 /nfs/dbraw/zinc/89/50/16/821895016.db2.gz SOIHLCIGSKPFDP-UHFFFAOYSA-N 1 0 275.396 1.756 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cc(F)ccc1O ZINC000817984171 821898139 /nfs/dbraw/zinc/89/81/39/821898139.db2.gz VRSXNSNVKIMKKC-KOLCDFICSA-N 1 0 254.305 1.170 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCOC2)c(O)c1 ZINC000040906818 822001227 /nfs/dbraw/zinc/00/12/27/822001227.db2.gz WPPZVHKAIBNZJT-LLVKDONJSA-N 1 0 251.326 1.917 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1O ZINC000227968610 822045399 /nfs/dbraw/zinc/04/53/99/822045399.db2.gz OBDGPBVOEZQIGP-HZMBPMFUSA-N 1 0 267.325 1.030 20 10 CDCDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000269011206 822051879 /nfs/dbraw/zinc/05/18/79/822051879.db2.gz MXZOMBMMPKSTRY-ZIAGYGMSSA-N 1 0 278.396 1.945 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCCNC(=O)C2)c1O ZINC000877526610 822078792 /nfs/dbraw/zinc/07/87/92/822078792.db2.gz SZADGYGGYLWCHA-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO COc1c(O)c(CN(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000843051146 822109791 /nfs/dbraw/zinc/10/97/91/822109791.db2.gz FGRQGSIZNNGMSQ-MRVPVSSYSA-N 1 0 269.301 1.088 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(OCCO)CCOCC1 ZINC000877501148 822218209 /nfs/dbraw/zinc/21/82/09/822218209.db2.gz JXMYASVKRYSLJM-UHFFFAOYSA-N 1 0 295.379 1.348 20 10 CDCDRO CN1CC[NH+]=C1NCc1ccc(N2CCSCC2)cc1 ZINC000848993559 822257451 /nfs/dbraw/zinc/25/74/51/822257451.db2.gz KEBREQKSXYWROO-UHFFFAOYSA-N 1 0 290.436 1.631 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O ZINC000112536901 822358060 /nfs/dbraw/zinc/35/80/60/822358060.db2.gz SQZUAYPFZRZCFQ-WFASDCNBSA-N 1 0 291.395 1.438 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666214 822387990 /nfs/dbraw/zinc/38/79/90/822387990.db2.gz BVLMDAAUXHLRDG-ZJUUUORDSA-N 1 0 266.341 1.434 20 10 CDCDRO CC(C)NC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000866757572 822399455 /nfs/dbraw/zinc/39/94/55/822399455.db2.gz YWTPVLSYMTXBSU-CYBMUJFWSA-N 1 0 264.373 1.460 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000841709410 822445381 /nfs/dbraw/zinc/44/53/81/822445381.db2.gz FNHJNHIVORKPDP-AWEZNQCLSA-N 1 0 288.395 1.448 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000843434894 822484846 /nfs/dbraw/zinc/48/48/46/822484846.db2.gz OAMACYLRVUEDQS-VHSXEESVSA-N 1 0 299.754 1.401 20 10 CDCDRO CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941695 822533602 /nfs/dbraw/zinc/53/36/02/822533602.db2.gz OFUUNIZEMHPDDN-HNNXBMFYSA-N 1 0 294.395 1.546 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CCO[C@@H](C[NH3+])C1 ZINC000843066345 822568793 /nfs/dbraw/zinc/56/87/93/822568793.db2.gz VIMRIANYSCNRIL-HNNXBMFYSA-N 1 0 263.385 1.221 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000843489469 822610636 /nfs/dbraw/zinc/61/06/36/822610636.db2.gz PJMJFACWVCDXPA-ZFWZSOMGSA-N 1 0 276.336 1.328 20 10 CDCDRO Cc1cc(Nc2cccc(C(=O)N(C)C)c2O)cc[nH+]1 ZINC001174657230 913293983 /nfs/dbraw/zinc/29/39/83/913293983.db2.gz BVWKQUYGLHBAEP-UHFFFAOYSA-N 1 0 271.320 1.963 20 10 CDCDRO C[NH+](C)CCn1cc(N(CCO)c2ccc(N)cc2)cn1 ZINC001176446430 914113554 /nfs/dbraw/zinc/11/35/54/914113554.db2.gz ZAWFWJNDLMSZRA-UHFFFAOYSA-N 1 0 289.383 1.157 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCCO1 ZINC001140623913 897199297 /nfs/dbraw/zinc/19/92/97/897199297.db2.gz WYVUCQLBHVXYTE-AWEZNQCLSA-N 1 0 279.336 1.465 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCCN(C)S(C)(=O)=O)c1 ZINC000692405329 897256465 /nfs/dbraw/zinc/25/64/65/897256465.db2.gz BNDLXGUJKJTFEI-UHFFFAOYSA-N 1 0 286.397 1.072 20 10 CDCDRO CC(C)(C)OC[C@H]([NH3+])CC(=O)NCc1ccccc1O ZINC001219923593 899451147 /nfs/dbraw/zinc/45/11/47/899451147.db2.gz SPIPJCCSNGLKHY-GFCCVEGCSA-N 1 0 280.368 1.541 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(Cl)c1 ZINC001236030852 914598176 /nfs/dbraw/zinc/59/81/76/914598176.db2.gz WYCGAMHOUYUVOZ-BXUZGUMPSA-N 1 0 265.788 1.939 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236033622 914604484 /nfs/dbraw/zinc/60/44/84/914604484.db2.gz XBLJDOUHMBCRNW-IUODEOHRSA-N 1 0 261.369 1.294 20 10 CDCDRO Oc1cc(Cl)c(F)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236288202 914875548 /nfs/dbraw/zinc/87/55/48/914875548.db2.gz GNWKZOMTIHYTAF-LDYMZIIASA-N 1 0 256.708 1.588 20 10 CDCDRO Nc1cc(NCCc2cc(O)c(O)cc2O)[nH+]cc1F ZINC001168006830 905367768 /nfs/dbraw/zinc/36/77/68/905367768.db2.gz UQTPFZAAFZQXHC-UHFFFAOYSA-N 1 0 279.271 1.574 20 10 CDCDRO CC(C)(C)c1cccc(CN2CCO[C@@H](C(N)=O)C2)c1O ZINC001143112718 921265747 /nfs/dbraw/zinc/26/57/47/921265747.db2.gz YIZMBZDAKSJMBK-CYBMUJFWSA-N 1 0 292.379 1.376 20 10 CDCDRO CCOc1ccc(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204801936 906998672 /nfs/dbraw/zinc/99/86/72/906998672.db2.gz XJQRXPXBJRYTGO-AWEZNQCLSA-N 1 0 250.342 1.714 20 10 CDCDRO C[NH2+]C1CN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001204707294 908524255 /nfs/dbraw/zinc/52/42/55/908524255.db2.gz VNZQZCXBFAWKFM-UHFFFAOYSA-N 1 0 253.777 1.810 20 10 CDCDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142527189 908866565 /nfs/dbraw/zinc/86/65/65/908866565.db2.gz NSTPLNPLRKISHY-TVQRCGJNSA-N 1 0 268.307 1.806 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2cccc(C(N)=O)c2)c1 ZINC000036902965 909861958 /nfs/dbraw/zinc/86/19/58/909861958.db2.gz IJIWTQNSIOJMTI-UHFFFAOYSA-N 1 0 286.331 1.790 20 10 CDCDRO COCCC[NH+]1CCC(NCc2ccc(O)c(O)c2)CC1 ZINC001172245857 911516543 /nfs/dbraw/zinc/51/65/43/911516543.db2.gz BLFGFDYTIIAYTR-UHFFFAOYSA-N 1 0 294.395 1.688 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228937309 912012686 /nfs/dbraw/zinc/01/26/86/912012686.db2.gz FFIRQFPHNPDYJO-LLVKDONJSA-N 1 0 262.353 1.624 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH3+])C2)c1O ZINC000229102613 912066549 /nfs/dbraw/zinc/06/65/49/912066549.db2.gz YVXMCBQPCODKOF-SNVBAGLBSA-N 1 0 256.733 1.587 20 10 CDCDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001172925364 912069999 /nfs/dbraw/zinc/06/99/99/912069999.db2.gz 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C[C@@]1(CF)CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010002 943460686 /nfs/dbraw/zinc/46/06/86/943460686.db2.gz GOCAHXZSIWKMIE-ZDUSSCGKSA-N 1 0 255.289 1.985 20 10 CDCDRO CCN(CCC[NH+](C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233015470 943463369 /nfs/dbraw/zinc/46/33/69/943463369.db2.gz OTBVGGMAFHRTIY-UHFFFAOYSA-N 1 0 268.357 1.577 20 10 CDCDRO Oc1cc(C[NH+]2CCC3(CCO3)CC2)cc(O)c1O ZINC001233017451 943464323 /nfs/dbraw/zinc/46/43/23/943464323.db2.gz WFPALUDYJUBIRK-UHFFFAOYSA-N 1 0 265.309 1.558 20 10 CDCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(O)c(O)cc1O ZINC001233485627 943593679 /nfs/dbraw/zinc/59/36/79/943593679.db2.gz DQXKFRVQUUIXTP-JQWIXIFHSA-N 1 0 278.352 1.329 20 10 CDCDRO C[N@@H+]1CCC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001233949401 943699879 /nfs/dbraw/zinc/69/98/79/943699879.db2.gz GJWNUONQWRLGGM-SNVBAGLBSA-N 1 0 289.335 1.904 20 10 CDCDRO Cc1cc(CN2CCNC[C@@]23CC[NH2+]C3)ccc1N(C)C ZINC001234985365 943994853 /nfs/dbraw/zinc/99/48/53/943994853.db2.gz ARRWDDZHGJKWNY-KRWDZBQOSA-N 1 0 288.439 1.198 20 10 CDCDRO Oc1cccc(Cl)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234986625 943997432 /nfs/dbraw/zinc/99/74/32/943997432.db2.gz KTSKHZSEZKDHDQ-CQSZACIVSA-N 1 0 281.787 1.183 20 10 CDCDRO CC(C)c1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234992758 944001028 /nfs/dbraw/zinc/00/10/28/944001028.db2.gz TUGQSGKERWLCJU-QGZVFWFLSA-N 1 0 289.423 1.653 20 10 CDCDRO Oc1cc(Cl)c(F)cc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235064786 944037512 /nfs/dbraw/zinc/03/75/12/944037512.db2.gz UTMBWKMYBZJPKK-AWEZNQCLSA-N 1 0 299.777 1.322 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(OC)c1 ZINC001235161689 944075585 /nfs/dbraw/zinc/07/55/85/944075585.db2.gz WVYRJIIMCSOCQJ-ZUZCIYMTSA-N 1 0 278.352 1.333 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001235676976 944243962 /nfs/dbraw/zinc/24/39/62/944243962.db2.gz ZKOJXDLIKXJBTR-BBRMVZONSA-N 1 0 293.407 1.865 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001236029645 944384798 /nfs/dbraw/zinc/38/47/98/944384798.db2.gz UKAVGPVFYVPPFN-RHSMWYFYSA-N 1 0 287.407 1.181 20 10 CDCDRO Oc1ccc2ccccc2c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236300060 944458215 /nfs/dbraw/zinc/45/82/15/944458215.db2.gz ZYFJALSWOASDFQ-WFASDCNBSA-N 1 0 254.333 1.949 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC001236810986 944575132 /nfs/dbraw/zinc/57/51/32/944575132.db2.gz MHRNBODWWBVVDT-AWEZNQCLSA-N 1 0 292.379 1.762 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236814993 944578274 /nfs/dbraw/zinc/57/82/74/944578274.db2.gz ZDIMLGOIPIZXRZ-UHFFFAOYSA-N 1 0 279.336 1.704 20 10 CDCDRO CN1CCN(Cc2cc3ccccc3cc2O)CC1=O ZINC001236835004 944588095 /nfs/dbraw/zinc/58/80/95/944588095.db2.gz CSCPDVYYEXRAHI-UHFFFAOYSA-N 1 0 270.332 1.819 20 10 CDCDRO CCOc1ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(O)c1 ZINC001237049531 944647206 /nfs/dbraw/zinc/64/72/06/944647206.db2.gz HIQQUZSQDFJGJW-CYBMUJFWSA-N 1 0 297.395 1.745 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001237681405 944924744 /nfs/dbraw/zinc/92/47/44/944924744.db2.gz PEONFTIKHJEVQA-DZGCQCFKSA-N 1 0 299.798 1.919 20 10 CDCDRO CC(=O)N1CCN(Cc2cc(F)cc(C)c2O)C[C@H]1C ZINC001238066780 945049789 /nfs/dbraw/zinc/04/97/89/945049789.db2.gz KXIKWMFHXTVDAY-LLVKDONJSA-N 1 0 280.343 1.892 20 10 CDCDRO Cn1ccc2ncc(-c3cnc(N4CC[NH2+]CC4)nc3)cc21 ZINC001241899177 946501430 /nfs/dbraw/zinc/50/14/30/946501430.db2.gz QMGWTYOOJPDMAD-UHFFFAOYSA-N 1 0 294.362 1.440 20 10 CDCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603195 946759528 /nfs/dbraw/zinc/75/95/28/946759528.db2.gz AHHCQYADLSPKLU-OAHLLOKOSA-N 1 0 290.411 1.941 20 10 CDCDRO O=C1C[C@H]2CC([NH2+]CCc3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001254930928 947659893 /nfs/dbraw/zinc/65/98/93/947659893.db2.gz LXCIFZBTKIKLFS-VXGBXAGGSA-N 1 0 275.348 1.988 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)CN1 ZINC001246240982 948050251 /nfs/dbraw/zinc/05/02/51/948050251.db2.gz UGSJHXOXMZSMEI-MDZLAQPJSA-N 1 0 278.352 1.336 20 10 CDCDRO C[C@@H]1CC[C@@H](NCCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246248863 948055222 /nfs/dbraw/zinc/05/52/22/948055222.db2.gz WCLUWSWQQDKAKE-ZYHUDNBSSA-N 1 0 250.342 1.370 20 10 CDCDRO CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246468503 948190491 /nfs/dbraw/zinc/19/04/91/948190491.db2.gz YJAMJTGUARZUHS-HOCLYGCPSA-N 1 0 291.395 1.085 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CC(=O)N1CCOCC1)c1ccccc1O ZINC001256324333 948272724 /nfs/dbraw/zinc/27/27/24/948272724.db2.gz RJFWAFYESHDONJ-QWHCGFSZSA-N 1 0 292.379 1.680 20 10 CDCDRO CCOC(=O)CC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258478397 948869801 /nfs/dbraw/zinc/86/98/01/948869801.db2.gz SAUJJAKPDPCWGA-LLVKDONJSA-N 1 0 281.352 1.962 20 10 CDCDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(OC)c(C)c2)CCOC1 ZINC001308555541 956545821 /nfs/dbraw/zinc/54/58/21/956545821.db2.gz SAYDFBCVCNWZGI-MRXNPFEDSA-N 1 0 293.363 1.673 20 10 CDCDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC001349486082 966363682 /nfs/dbraw/zinc/36/36/82/966363682.db2.gz DCNMCASZTGYHBT-GJZGRUSLSA-N 1 0 275.396 1.800 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCCCO)cc1F ZINC001351331189 966914607 /nfs/dbraw/zinc/91/46/07/966914607.db2.gz QOZSEEMZQPNCTM-UHFFFAOYSA-N 1 0 258.312 1.893 20 10 CDCDRO CC1(C)CC[N@H+](CC(=O)NCc2cccc(O)c2O)C1 ZINC001548791565 967873226 /nfs/dbraw/zinc/87/32/26/967873226.db2.gz UIVNVIKNCQPRFK-UHFFFAOYSA-N 1 0 278.352 1.446 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H](O)C2CCOCC2)c1O ZINC000848897566 969340433 /nfs/dbraw/zinc/34/04/33/969340433.db2.gz SCTHJXGUTGJVIG-OAHLLOKOSA-N 1 0 279.380 1.832 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001578496607 1171933551 /nfs/dbraw/zinc/93/35/51/1171933551.db2.gz MRRLGFHKBUBYEF-ZDUSSCGKSA-N 1 0 291.395 1.923 20 10 CDCDRO OCCC[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000093323803 342421804 /nfs/dbraw/zinc/42/18/04/342421804.db2.gz AUGRMVLRVZLSDZ-UHFFFAOYSA-N 1 0 292.423 1.854 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000037801147 282289007 /nfs/dbraw/zinc/28/90/07/282289007.db2.gz UYZQZNVPVDDEAS-CQSZACIVSA-N 1 0 275.396 1.711 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000219452534 344889224 /nfs/dbraw/zinc/88/92/24/344889224.db2.gz BEXHIIGVTKMTAS-LLVKDONJSA-N 1 0 262.275 1.765 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](ON)C(C)C)c(O)c1OC ZINC001579216391 1172118218 /nfs/dbraw/zinc/11/82/18/1172118218.db2.gz RNPOZPDGICMSME-GFCCVEGCSA-N 1 0 284.356 1.414 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295164766 199382112 /nfs/dbraw/zinc/38/21/12/199382112.db2.gz SOSKVBQYLWJAHP-AWEZNQCLSA-N 1 0 294.395 1.337 20 10 CDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000226396369 363424839 /nfs/dbraw/zinc/42/48/39/363424839.db2.gz HBIBXYQQPZYKSP-LBPRGKRZSA-N 1 0 263.385 1.658 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(F)ccc1O ZINC000179868340 357228174 /nfs/dbraw/zinc/22/81/74/357228174.db2.gz GOCXCSAALMOSCZ-UHFFFAOYSA-N 1 0 257.305 1.626 20 10 CDCDRO CNC(=O)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273366695 358704894 /nfs/dbraw/zinc/70/48/94/358704894.db2.gz BOFMPIIFMNNPLN-SECBINFHSA-N 1 0 254.305 1.708 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000367785573 359431516 /nfs/dbraw/zinc/43/15/16/359431516.db2.gz XHIVLFKTEAQYKP-GDNZZTSVSA-N 1 0 283.755 1.724 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000083514553 360093886 /nfs/dbraw/zinc/09/38/86/360093886.db2.gz QQGKDOFPXBSAEK-LLVKDONJSA-N 1 0 269.366 1.225 20 10 CDCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000125482826 360459231 /nfs/dbraw/zinc/45/92/31/360459231.db2.gz WIJUFOKTDKSHKU-KZULUSFZSA-N 1 0 268.426 1.999 20 10 CDCDRO C[S@](=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000282338643 364063237 /nfs/dbraw/zinc/06/32/37/364063237.db2.gz LYEUABYZWBFZTA-IBGZPJMESA-N 1 0 283.349 1.122 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000282270976 367805281 /nfs/dbraw/zinc/80/52/81/367805281.db2.gz IBWJPBWXCICEOA-AWEZNQCLSA-N 1 0 278.352 1.105 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1ccc(N(C)C)c(F)c1 ZINC000282826754 368056593 /nfs/dbraw/zinc/05/65/93/368056593.db2.gz UONBURXXZXRZBM-UHFFFAOYSA-N 1 0 284.375 1.723 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O ZINC000284235046 368507284 /nfs/dbraw/zinc/50/72/84/368507284.db2.gz VGJHSWXFUYFUIN-NEPJUHHUSA-N 1 0 283.393 1.868 20 10 CDCDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1O ZINC000287728143 369291355 /nfs/dbraw/zinc/29/13/55/369291355.db2.gz YGFULZLAVXMMPP-GFCCVEGCSA-N 1 0 265.353 1.974 20 10 CDCDRO COCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](C)C(N)=O ZINC000293137502 370526444 /nfs/dbraw/zinc/52/64/44/370526444.db2.gz QDXCDZQQCGMPIO-CYBMUJFWSA-N 1 0 293.411 1.383 20 10 CDCDRO CC[C@H]([NH2+]CCCC(=O)NC)c1ccccc1O ZINC000274939979 371197806 /nfs/dbraw/zinc/19/78/06/371197806.db2.gz SRJYAVRBBDLKKV-LBPRGKRZSA-N 1 0 250.342 1.959 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000036932694 260052153 /nfs/dbraw/zinc/05/21/53/260052153.db2.gz MTLIBRGVRGRDLN-AWEZNQCLSA-N 1 0 277.412 1.563 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282367966 391468108 /nfs/dbraw/zinc/46/81/08/391468108.db2.gz NTLPUNJJVZYBBW-YGRLFVJLSA-N 1 0 279.359 1.506 20 10 CDCDRO CC(C)(CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000135225871 391719923 /nfs/dbraw/zinc/71/99/23/391719923.db2.gz LYKOCOXKACTOJC-UHFFFAOYSA-N 1 0 253.298 1.372 20 10 CDCDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000038047620 174058119 /nfs/dbraw/zinc/05/81/19/174058119.db2.gz HKOJVSNUPLDBCX-LBPRGKRZSA-N 1 0 284.425 1.838 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCO2)c(O)c1 ZINC000038060606 174071733 /nfs/dbraw/zinc/07/17/33/174071733.db2.gz RLFHSVPDHPZQPY-VXGBXAGGSA-N 1 0 251.326 1.767 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000038060938 174072795 /nfs/dbraw/zinc/07/27/95/174072795.db2.gz NUBZLKHHZJRSJY-SWLSCSKDSA-N 1 0 264.369 1.819 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000156991945 261136588 /nfs/dbraw/zinc/13/65/88/261136588.db2.gz MQAXXDFUUICKRZ-UHFFFAOYSA-N 1 0 264.369 1.967 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)C(C)(C)C)c1 ZINC000059240911 262387426 /nfs/dbraw/zinc/38/74/26/262387426.db2.gz CHLRSYHCFZXYGB-CYBMUJFWSA-N 1 0 253.342 1.897 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CCNC(=O)C[C@H]2C)cc1C ZINC000368137214 267147392 /nfs/dbraw/zinc/14/73/92/267147392.db2.gz YFFUGUBAQFSHNQ-GFCCVEGCSA-N 1 0 262.353 1.719 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000369676206 267259647 /nfs/dbraw/zinc/25/96/47/267259647.db2.gz MTSSDOPHJTYJDP-HNNXBMFYSA-N 1 0 263.337 1.748 20 10 CDCDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297028367 277493406 /nfs/dbraw/zinc/49/34/06/277493406.db2.gz URAFBGSDKOSPEI-GFCCVEGCSA-N 1 0 295.404 1.794 20 10 CDCDRO C[C@]1(CO)C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@]1(C)CO ZINC000529668955 281351782 /nfs/dbraw/zinc/35/17/82/281351782.db2.gz QQSAVJZXAONNOB-GASCZTMLSA-N 1 0 299.798 1.858 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000219135985 329147355 /nfs/dbraw/zinc/14/73/55/329147355.db2.gz FUTMFCHISQMZMA-ZDUSSCGKSA-N 1 0 251.326 1.109 20 10 CDCDRO COCC[C@@H]1COCCN1Cc1cc2c(cc1O)OCO2 ZINC000291113627 328262483 /nfs/dbraw/zinc/26/24/83/328262483.db2.gz MTPXQJWCYDGNPU-GFCCVEGCSA-N 1 0 295.335 1.358 20 10 CDCDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccccc1O ZINC000278700571 327184814 /nfs/dbraw/zinc/18/48/14/327184814.db2.gz HIVLFSLCHTXTNZ-WHOFXGATSA-N 1 0 265.353 1.973 20 10 CDCDRO CCn1nncc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000527917209 330295255 /nfs/dbraw/zinc/29/52/55/330295255.db2.gz RNIZQFJFPOOEQK-LBPRGKRZSA-N 1 0 258.325 1.781 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000530221048 333528669 /nfs/dbraw/zinc/52/86/69/333528669.db2.gz CDJXSGGXRRAGND-MNOVXSKESA-N 1 0 266.341 1.040 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000289994390 519786984 /nfs/dbraw/zinc/78/69/84/519786984.db2.gz CMLOVCOMZRXFBW-UHFFFAOYSA-N 1 0 284.425 1.665 20 10 CDCDRO CCOCCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000127472975 519921587 /nfs/dbraw/zinc/92/15/87/519921587.db2.gz KEICDXVPUIVEMX-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO CCCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278242866 520522461 /nfs/dbraw/zinc/52/24/61/520522461.db2.gz OFMKJNPDGRRRQV-UHFFFAOYSA-N 1 0 298.339 1.903 20 10 CDCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000062972677 520842441 /nfs/dbraw/zinc/84/24/41/520842441.db2.gz YJLIXBCYKIZIOU-OAHLLOKOSA-N 1 0 275.396 1.754 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000278532026 521154351 /nfs/dbraw/zinc/15/43/51/521154351.db2.gz VKIYAEASKWWPQI-HNNXBMFYSA-N 1 0 281.352 1.422 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1F ZINC000280335437 522210176 /nfs/dbraw/zinc/21/01/76/522210176.db2.gz QSYYPVJJOSAQIS-KGLIPLIRSA-N 1 0 296.386 1.626 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000127496828 523501737 /nfs/dbraw/zinc/50/17/37/523501737.db2.gz SZKBUXIPFJPZMX-LBPRGKRZSA-N 1 0 264.369 1.994 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000127497098 523863704 /nfs/dbraw/zinc/86/37/04/523863704.db2.gz SZKBUXIPFJPZMX-GFCCVEGCSA-N 1 0 264.369 1.994 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000278620390 525232198 /nfs/dbraw/zinc/23/21/98/525232198.db2.gz HISGZBMLUUIQED-CYBMUJFWSA-N 1 0 283.393 1.791 20 10 CDCDRO O=C(NCC[NH+]1CCCCCC1)c1c(F)ccc(O)c1O ZINC000276614047 526309971 /nfs/dbraw/zinc/30/99/71/526309971.db2.gz TUTLEGZRTXUEOO-UHFFFAOYSA-N 1 0 296.342 1.843 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000037812710 527475872 /nfs/dbraw/zinc/47/58/72/527475872.db2.gz FPJOIVUGSIDCGD-HNNXBMFYSA-N 1 0 273.380 1.508 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)[C@H]1CCOC1 ZINC000280443716 527579463 /nfs/dbraw/zinc/57/94/63/527579463.db2.gz CUYBVYUFPQLSBZ-CMPLNLGQSA-N 1 0 269.316 1.266 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000734847047 575387887 /nfs/dbraw/zinc/38/78/87/575387887.db2.gz ZWQGJKWFUQBOJT-AWEZNQCLSA-N 1 0 269.341 1.278 20 10 CDCDRO CCOc1ccc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c(O)c1 ZINC000770383450 575444030 /nfs/dbraw/zinc/44/40/30/575444030.db2.gz VLBWQODCJMEJTG-IAQYHMDHSA-N 1 0 265.353 1.994 20 10 CDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000734843808 575387236 /nfs/dbraw/zinc/38/72/36/575387236.db2.gz CCJIRZMSNJVSSK-MRXNPFEDSA-N 1 0 294.370 1.523 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000770381145 575443764 /nfs/dbraw/zinc/44/37/64/575443764.db2.gz ODEWJHGOJNGGTP-ZDUSSCGKSA-N 1 0 292.379 1.701 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(C)ccc2O)CCCOC1 ZINC000770675608 575484006 /nfs/dbraw/zinc/48/40/06/575484006.db2.gz PAKYLJAIYAZUTM-INIZCTEOSA-N 1 0 293.363 1.903 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNCC(F)(F)CO)cc2)CC1 ZINC000767193652 576167004 /nfs/dbraw/zinc/16/70/04/576167004.db2.gz ATYGCIOAGJDNHV-UHFFFAOYSA-N 1 0 299.365 1.156 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768447059 576284182 /nfs/dbraw/zinc/28/41/82/576284182.db2.gz QRCNXUNZDWQDFV-DOMZBBRYSA-N 1 0 292.379 1.344 20 10 CDCDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462078 576286311 /nfs/dbraw/zinc/28/63/11/576286311.db2.gz IVLLOPSHIPMIOK-JVLSTEMRSA-N 1 0 293.363 1.553 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1 ZINC000754084808 576878731 /nfs/dbraw/zinc/87/87/31/576878731.db2.gz CHIYFERPCRDGRU-SNVBAGLBSA-N 1 0 287.381 1.314 20 10 CDCDRO C[N@@H+]1CC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760406 617321272 /nfs/dbraw/zinc/32/12/72/617321272.db2.gz QYHVFYBKBPICIX-SNVBAGLBSA-N 1 0 268.744 1.614 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000892004618 617402563 /nfs/dbraw/zinc/40/25/63/617402563.db2.gz HNWGDJRRDLXOFM-WDEREUQCSA-N 1 0 263.341 1.504 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892022058 617415588 /nfs/dbraw/zinc/41/55/88/617415588.db2.gz STJRJWKQMGZJPS-NSHDSACASA-N 1 0 281.352 1.878 20 10 CDCDRO CCCC[N@H+](CC(N)=O)Cc1ccc(OC)c(OC)c1O ZINC000891712009 617550554 /nfs/dbraw/zinc/55/05/54/617550554.db2.gz DMXCPAOWKMCZEU-UHFFFAOYSA-N 1 0 296.367 1.497 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1OC ZINC000891793801 617593535 /nfs/dbraw/zinc/59/35/35/617593535.db2.gz LGCRLGNOHQRONX-NSHDSACASA-N 1 0 267.325 1.366 20 10 CDCDRO Cc1n[nH]c(CC[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000840937277 617611508 /nfs/dbraw/zinc/61/15/08/617611508.db2.gz RIZBFYRBIXTYCV-UHFFFAOYSA-N 1 0 273.384 1.820 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000840912381 617633591 /nfs/dbraw/zinc/63/35/91/617633591.db2.gz FULLQZFSXSYLNM-UHFFFAOYSA-N 1 0 290.411 1.647 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O ZINC000892294541 617708308 /nfs/dbraw/zinc/70/83/08/617708308.db2.gz ZZYMQTAAWCSANS-GRYCIOLGSA-N 1 0 277.368 1.893 20 10 CDCDRO COc1ccc(C[NH2+]CC2CCOCC2)c(O)c1OC ZINC000892811760 617776784 /nfs/dbraw/zinc/77/67/84/617776784.db2.gz SFQDMKREBJUZQX-UHFFFAOYSA-N 1 0 281.352 1.926 20 10 CDCDRO COC[C@@]1(CNCc2ccc(N(C)C)cc2C)CCC[NH2+]1 ZINC000841067869 618680751 /nfs/dbraw/zinc/68/07/51/618680751.db2.gz QBPDGPCYNARWLH-KRWDZBQOSA-N 1 0 291.439 1.919 20 10 CDCDRO C[NH2+]CCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843057688 618691988 /nfs/dbraw/zinc/69/19/88/618691988.db2.gz RCYBYRRITYIXIP-UHFFFAOYSA-N 1 0 281.375 1.314 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000877693631 618701129 /nfs/dbraw/zinc/70/11/29/618701129.db2.gz MKNNOIYURWYVOO-RDDDGLTNSA-N 1 0 279.258 1.802 20 10 CDCDRO CNC(=O)CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894206636 618709451 /nfs/dbraw/zinc/70/94/51/618709451.db2.gz HZUDSRQRJMLWKN-UHFFFAOYSA-N 1 0 266.341 1.325 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(CO)CCC2)c1O ZINC000894444142 618888726 /nfs/dbraw/zinc/88/87/26/618888726.db2.gz FLCRZFGJDGDUSM-UHFFFAOYSA-N 1 0 265.353 1.961 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)c1O ZINC000894500942 618926717 /nfs/dbraw/zinc/92/67/17/618926717.db2.gz SLHLMUYVVNAJIR-GWCFXTLKSA-N 1 0 292.379 1.795 20 10 CDCDRO COc1ccc(C[NH2+]CC2(CC(N)=O)CC2)c(O)c1OC ZINC000894967283 619166255 /nfs/dbraw/zinc/16/62/55/619166255.db2.gz KMRZHWVOTZIBEV-UHFFFAOYSA-N 1 0 294.351 1.155 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@]2(CO)CCOC2)c1O ZINC000895386298 619627532 /nfs/dbraw/zinc/62/75/32/619627532.db2.gz XADAQHHZUQFZID-HNNXBMFYSA-N 1 0 281.352 1.292 20 10 CDCDRO C[NH2+]CCCNC(=O)N(C)Cc1ccccc1O ZINC000841914898 620485729 /nfs/dbraw/zinc/48/57/29/620485729.db2.gz KXTFHOHASZNUCR-UHFFFAOYSA-N 1 0 251.330 1.143 20 10 CDCDRO C[C@H](Cn1cccn1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045177 621589804 /nfs/dbraw/zinc/58/98/04/621589804.db2.gz JAVQCRHSFDYDCT-CJNGLKHVSA-N 1 0 287.411 1.627 20 10 CDCDRO C[C@@H](CC[NH3+])[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841052483 621599304 /nfs/dbraw/zinc/59/93/04/621599304.db2.gz YUHHHAJLZBVXKZ-ZETCQYMHSA-N 1 0 273.720 1.781 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C(F)F)cc1F ZINC000905077534 626392606 /nfs/dbraw/zinc/39/26/06/626392606.db2.gz ZSEWPYRDAPJZSE-ZDUSSCGKSA-N 1 0 276.302 1.997 20 10 CDCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087781 628482641 /nfs/dbraw/zinc/48/26/41/628482641.db2.gz WNHKNZHLKBYVST-NSHDSACASA-N 1 0 288.750 1.653 20 10 CDCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877048649 630593018 /nfs/dbraw/zinc/59/30/18/630593018.db2.gz NRAZQAPSEHQUMZ-MFKMUULPSA-N 1 0 255.383 1.903 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000153919680 631951202 /nfs/dbraw/zinc/95/12/02/631951202.db2.gz VZUXZYSNMWWWNC-AWEZNQCLSA-N 1 0 262.353 1.801 20 10 CDCDRO C[S@@](=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921751141 633265141 /nfs/dbraw/zinc/26/51/41/633265141.db2.gz DUNQSLJDFVWKNA-QGZVFWFLSA-N 1 0 253.367 1.480 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC000129576291 1159028364 /nfs/dbraw/zinc/02/83/64/1159028364.db2.gz QZFQGKIZDXLFII-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1O ZINC000035112685 1165641753 /nfs/dbraw/zinc/64/17/53/1165641753.db2.gz PFMVUJFQCSUEOM-HNNXBMFYSA-N 1 0 259.305 1.921 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)[C@H]1OC ZINC000877352252 1166024062 /nfs/dbraw/zinc/02/40/62/1166024062.db2.gz WRKSJOUPNHCOLK-NWANDNLSSA-N 1 0 265.353 1.983 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(O)c1 ZINC000877493424 1166049427 /nfs/dbraw/zinc/04/94/27/1166049427.db2.gz BELFOWUIEMUKBX-UONOGXRCSA-N 1 0 265.353 1.435 20 10 CDCDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000162640386 1180190194 /nfs/dbraw/zinc/19/01/94/1180190194.db2.gz IQUDBGPWVKOPCR-ZBFHGGJFSA-N 1 0 289.423 1.958 20 10 CDCDRO C[NH2+][C@H](C(=O)N(C)Cc1ccccc1O)c1cnn(C)c1 ZINC000285691629 1184606483 /nfs/dbraw/zinc/60/64/83/1184606483.db2.gz OQERQFMXKCFQHP-AWEZNQCLSA-N 1 0 288.351 1.045 20 10 CDCDRO CN(C)c1ccc(CNC(=O)c2conc2C[NH3+])cc1 ZINC000407420046 1186622226 /nfs/dbraw/zinc/62/22/26/1186622226.db2.gz YXQAWCOJDKXTSQ-UHFFFAOYSA-N 1 0 274.324 1.129 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c(O)c1C ZINC000866497770 1164788997 /nfs/dbraw/zinc/78/89/97/1164788997.db2.gz LQQQFVDOSVOEPM-IACUBPJLSA-N 1 0 265.353 1.809 20 10 CDCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000854233317 828348240 /nfs/dbraw/zinc/34/82/40/828348240.db2.gz XUPYUBJTCYNWPE-CHWSQXEVSA-N 1 0 295.402 1.921 20 10 CDCDRO CCC[N@H+](C)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000069090906 828376788 /nfs/dbraw/zinc/37/67/88/828376788.db2.gz JRNIGADTWXLDQI-UHFFFAOYSA-N 1 0 292.339 1.453 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000883898293 828399838 /nfs/dbraw/zinc/39/98/38/828399838.db2.gz WZCNQEJQPFGUNU-GFCCVEGCSA-N 1 0 293.367 1.294 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1 ZINC000710862312 822712348 /nfs/dbraw/zinc/71/23/48/822712348.db2.gz REBZFQDBBUHVFR-HZPDHXFCSA-N 1 0 278.396 1.772 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000817415532 822724932 /nfs/dbraw/zinc/72/49/32/822724932.db2.gz UNFYQHZBHHOXHR-OAHLLOKOSA-N 1 0 275.396 1.771 20 10 CDCDRO CCC[C@](C)(CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000123082844 828551023 /nfs/dbraw/zinc/55/10/23/828551023.db2.gz PETGUQPADUQEDD-CQSZACIVSA-N 1 0 267.325 1.762 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCC2([NH+](C)C)CC2)c1 ZINC000922983152 823790609 /nfs/dbraw/zinc/79/06/09/823790609.db2.gz JZPQKOSFJBNULT-UHFFFAOYSA-N 1 0 277.368 1.594 20 10 CDCDRO CCCOc1ccc(CNC[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000873107771 823809050 /nfs/dbraw/zinc/80/90/50/823809050.db2.gz QICRSVPKJUOVKO-QGZVFWFLSA-N 1 0 292.423 1.940 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000828667790 823849257 /nfs/dbraw/zinc/84/92/57/823849257.db2.gz UUTLMYGSVJPIDT-NOZJJQNGSA-N 1 0 266.341 1.561 20 10 CDCDRO C[C@H](NC1C[NH2+]C1)c1cc(Br)ccc1O ZINC000817955781 823916403 /nfs/dbraw/zinc/91/64/03/823916403.db2.gz HRRQLPXZYBTQND-ZETCQYMHSA-N 1 0 271.158 1.777 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccon1 ZINC000843350768 823967154 /nfs/dbraw/zinc/96/71/54/823967154.db2.gz YLNLFOQDTMIUFW-UHFFFAOYSA-N 1 0 286.335 1.525 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cc(Cl)ccc1O ZINC000800532137 823981671 /nfs/dbraw/zinc/98/16/71/823981671.db2.gz QXHYJCBRJMDSFY-UHFFFAOYSA-N 1 0 273.760 1.876 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(C)CC3)cc2)CC1 ZINC000881851560 828600694 /nfs/dbraw/zinc/60/06/94/828600694.db2.gz WVKQWZNKHCTCFR-UHFFFAOYSA-N 1 0 287.407 1.855 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567130 824027639 /nfs/dbraw/zinc/02/76/39/824027639.db2.gz XCIFSLQHYOBUAH-LBPRGKRZSA-N 1 0 291.395 1.001 20 10 CDCDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1=O ZINC000842720443 828602301 /nfs/dbraw/zinc/60/23/01/828602301.db2.gz HSPNHIFBTKDZJS-GFCCVEGCSA-N 1 0 262.353 1.881 20 10 CDCDRO C[C@H](O)CC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876746792 824040079 /nfs/dbraw/zinc/04/00/79/824040079.db2.gz XGBPQTXCWHKHCG-AWEZNQCLSA-N 1 0 292.423 1.850 20 10 CDCDRO CN(Cc1c[nH]cn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000826769767 824051381 /nfs/dbraw/zinc/05/13/81/824051381.db2.gz QVFBZLMALNFUIY-UHFFFAOYSA-N 1 0 299.422 1.794 20 10 CDCDRO COC1(C(=O)N[C@H](C)c2ccccc2O)CC[NH2+]CC1 ZINC000877256528 824064667 /nfs/dbraw/zinc/06/46/67/824064667.db2.gz YMMAVAKHTPTAMH-LLVKDONJSA-N 1 0 278.352 1.338 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)[C@H](C[NH3+])C2CC2)c1O ZINC000843386733 828609471 /nfs/dbraw/zinc/60/94/71/828609471.db2.gz LHSCNGLCJQZFRO-CQSZACIVSA-N 1 0 280.343 1.903 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCNC(=O)CC2)c1O ZINC000396770304 824106730 /nfs/dbraw/zinc/10/67/30/824106730.db2.gz SCSKNDUANOLSHF-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)[C@H]1CN(C)CCO1 ZINC000877099263 824168938 /nfs/dbraw/zinc/16/89/38/824168938.db2.gz DUXVZDYOIDJVLG-IUODEOHRSA-N 1 0 264.369 1.509 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000093808365 824189584 /nfs/dbraw/zinc/18/95/84/824189584.db2.gz GAJTVGBZTLADLT-AWEZNQCLSA-N 1 0 275.396 1.840 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCNc2cnccn2)c1O ZINC000846151215 824203701 /nfs/dbraw/zinc/20/37/01/824203701.db2.gz VMGDNQFFCKDBRS-NSHDSACASA-N 1 0 288.351 1.954 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCCOC(F)F)OCO2 ZINC000398250966 824229454 /nfs/dbraw/zinc/22/94/54/824229454.db2.gz ITRCOKZMUHHQGR-UHFFFAOYSA-N 1 0 275.251 1.840 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1ccc(N(C)C)cc1 ZINC000128246093 824258689 /nfs/dbraw/zinc/25/86/89/824258689.db2.gz ADOIJBCTCGYRTM-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1 ZINC000822530027 824296044 /nfs/dbraw/zinc/29/60/44/824296044.db2.gz NYSMOLKNQKZOFL-UHFFFAOYSA-N 1 0 289.379 1.690 20 10 CDCDRO Cc1cc(C)c(O)c(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000853554415 824311060 /nfs/dbraw/zinc/31/10/60/824311060.db2.gz XLTHUIZXRWTFCQ-MRXNPFEDSA-N 1 0 290.407 1.916 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[NH2+]CC2(C)C)c1 ZINC000884310348 824312141 /nfs/dbraw/zinc/31/21/41/824312141.db2.gz VRAOENWPGFRPRX-ZWNOBZJWSA-N 1 0 292.379 1.824 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3C[C@H](O)C3)cc2)CC1 ZINC000877811847 824320918 /nfs/dbraw/zinc/32/09/18/824320918.db2.gz ZYKYFFZJQRXEHG-CZIWCDLHSA-N 1 0 290.407 1.508 20 10 CDCDRO [NH3+]CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841922248 824345493 /nfs/dbraw/zinc/34/54/93/824345493.db2.gz ZDEDMFHIOXDOFH-ZDUSSCGKSA-N 1 0 293.367 1.042 20 10 CDCDRO Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000834475091 824378126 /nfs/dbraw/zinc/37/81/26/824378126.db2.gz KXIYOPBNHUSRAA-UHFFFAOYSA-N 1 0 286.383 1.477 20 10 CDCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164542433 824383368 /nfs/dbraw/zinc/38/33/68/824383368.db2.gz JIKVSLLZGLIKJL-ZDUSSCGKSA-N 1 0 298.408 1.133 20 10 CDCDRO C[C@@H](O)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862324134 828645410 /nfs/dbraw/zinc/64/54/10/828645410.db2.gz DHWUCHDVRSAAQX-SECBINFHSA-N 1 0 258.312 1.843 20 10 CDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708444577 824457007 /nfs/dbraw/zinc/45/70/07/824457007.db2.gz SBAPPXHAHXOEQJ-QMMMGPOBSA-N 1 0 270.279 1.368 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CC2(CO)CC2)cc1F ZINC000858148331 824504181 /nfs/dbraw/zinc/50/41/81/824504181.db2.gz SYLFMEKVSDKHKC-UHFFFAOYSA-N 1 0 270.323 1.893 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000818358047 824563748 /nfs/dbraw/zinc/56/37/48/824563748.db2.gz QCNMPLVBYFVEIH-SGIREYDYSA-N 1 0 294.370 1.836 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921490766 824570184 /nfs/dbraw/zinc/57/01/84/824570184.db2.gz RCPHMWSWJHERQB-LLVKDONJSA-N 1 0 262.353 1.626 20 10 CDCDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000866441323 824729484 /nfs/dbraw/zinc/72/94/84/824729484.db2.gz ZJJVUMCYTQRXEO-VWYCJHECSA-N 1 0 294.351 1.109 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[NH2+]CC2CC2)c1 ZINC000828667874 824820246 /nfs/dbraw/zinc/82/02/46/824820246.db2.gz VRYQBCGVCLSODK-JTQLQIEISA-N 1 0 278.352 1.578 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000852816616 824846717 /nfs/dbraw/zinc/84/67/17/824846717.db2.gz AEQVWHJGEUQFPO-ZDUSSCGKSA-N 1 0 262.353 1.739 20 10 CDCDRO COc1cccc([C@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1O ZINC000846147058 824871796 /nfs/dbraw/zinc/87/17/96/824871796.db2.gz VFUMGHUEJAHAGE-QWHCGFSZSA-N 1 0 294.395 1.508 20 10 CDCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000019900168 824885092 /nfs/dbraw/zinc/88/50/92/824885092.db2.gz PPYZWOWTFPXCNY-SNVBAGLBSA-N 1 0 275.757 1.322 20 10 CDCDRO CC[N@H+](CC(=O)NC)Cc1cc(Cl)c(C)cc1O ZINC000824561053 824886068 /nfs/dbraw/zinc/88/60/68/824886068.db2.gz QBDVZMVDXOGABC-UHFFFAOYSA-N 1 0 270.760 1.922 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000836620316 825008448 /nfs/dbraw/zinc/00/84/48/825008448.db2.gz BMERDSVANYYODY-QWRGUYRKSA-N 1 0 295.383 1.711 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002869 825032941 /nfs/dbraw/zinc/03/29/41/825032941.db2.gz GFPVHGRORRFVOC-JSGCOSHPSA-N 1 0 292.379 1.495 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c(O)c1C ZINC000866421280 825057205 /nfs/dbraw/zinc/05/72/05/825057205.db2.gz YLHCOORHYWQGLP-UHTWSYAYSA-N 1 0 251.326 1.419 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841760206 825079281 /nfs/dbraw/zinc/07/92/81/825079281.db2.gz SADFJVXQYNVACJ-SFYZADRCSA-N 1 0 256.733 1.960 20 10 CDCDRO COCC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134290563 828751567 /nfs/dbraw/zinc/75/15/67/828751567.db2.gz LUCPKYJEOWMPRU-UHFFFAOYSA-N 1 0 253.298 1.636 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000877035659 825268675 /nfs/dbraw/zinc/26/86/75/825268675.db2.gz ZPNJJNIBVSQWSX-CQSZACIVSA-N 1 0 253.342 1.578 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]Cc2cncn2C)c1O ZINC000846172715 825274405 /nfs/dbraw/zinc/27/44/05/825274405.db2.gz OODPTVLYZKQSJL-JTQLQIEISA-N 1 0 261.325 1.985 20 10 CDCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000131738674 825276623 /nfs/dbraw/zinc/27/66/23/825276623.db2.gz PXXBROUGJFTQJL-VIFPVBQESA-N 1 0 289.784 1.712 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000877303020 825299791 /nfs/dbraw/zinc/29/97/91/825299791.db2.gz BLXPPJADXATSNO-GFCCVEGCSA-N 1 0 283.393 1.758 20 10 CDCDRO Cc1ccc(C[N@@H+](CC(N)=O)CC(C)C)c(O)c1 ZINC000876598344 828788025 /nfs/dbraw/zinc/78/80/25/828788025.db2.gz NCEDENJVGNMZNW-UHFFFAOYSA-N 1 0 250.342 1.644 20 10 CDCDRO COCC[N@H+](Cc1c(C)cccc1O)[C@@H](C)C(N)=O ZINC000876695993 825518707 /nfs/dbraw/zinc/51/87/07/825518707.db2.gz NGWZWMBALMOCJQ-NSHDSACASA-N 1 0 266.341 1.023 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1 ZINC000862427866 825534715 /nfs/dbraw/zinc/53/47/15/825534715.db2.gz GGPCOOFMFWUEJL-CYBMUJFWSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1O ZINC000846166619 828800172 /nfs/dbraw/zinc/80/01/72/828800172.db2.gz BCLFWEPJFYLYQZ-RWSFTLGLSA-N 1 0 281.352 1.591 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)cc1C ZINC000840176345 828806601 /nfs/dbraw/zinc/80/66/01/828806601.db2.gz CVGOMHYWGBABHM-ZDUSSCGKSA-N 1 0 276.380 1.919 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc2c(cc1O)OCO2 ZINC000843065043 828802285 /nfs/dbraw/zinc/80/22/85/828802285.db2.gz IMLPYOVZMKMKHD-AOOOYVTPSA-N 1 0 264.325 1.303 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000876745247 828808663 /nfs/dbraw/zinc/80/86/63/828808663.db2.gz BMOOLZLSJCNHII-UHFFFAOYSA-N 1 0 274.364 1.803 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834803184 825795682 /nfs/dbraw/zinc/79/56/82/825795682.db2.gz MDQSFMOXLTVXGT-RYUDHWBXSA-N 1 0 294.420 1.837 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH2+]C1CC1 ZINC000037807421 825820000 /nfs/dbraw/zinc/82/00/00/825820000.db2.gz GFGYAUYNCNGZEI-UHFFFAOYSA-N 1 0 275.396 1.853 20 10 CDCDRO CSC[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274585 825845867 /nfs/dbraw/zinc/84/58/67/825845867.db2.gz WBCFGSBHODQTTH-FZMZJTMJSA-N 1 0 295.452 1.868 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000838935108 825882928 /nfs/dbraw/zinc/88/29/28/825882928.db2.gz AMSNMPZFOZCWRK-OCCSQVGLSA-N 1 0 275.396 1.929 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](O)C1CCC1 ZINC000825240575 825896377 /nfs/dbraw/zinc/89/63/77/825896377.db2.gz MPTWXVDVSZIMNQ-ZDUSSCGKSA-N 1 0 251.326 1.651 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718152447 825984483 /nfs/dbraw/zinc/98/44/83/825984483.db2.gz GVOGQOAYUFFLKV-AOOOYVTPSA-N 1 0 255.264 1.749 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000858278753 826136844 /nfs/dbraw/zinc/13/68/44/826136844.db2.gz IHUDMOLESWTELD-CYBMUJFWSA-N 1 0 277.368 1.594 20 10 CDCDRO C[C@@H]1COCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775183414 826193600 /nfs/dbraw/zinc/19/36/00/826193600.db2.gz XBFVYRQPKBBPSG-OAHLLOKOSA-N 1 0 289.423 1.659 20 10 CDCDRO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCS1(=O)=O ZINC000311178958 826220943 /nfs/dbraw/zinc/22/09/43/826220943.db2.gz WMIFDLXVJYFZSF-LDYMZIIASA-N 1 0 289.784 1.711 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000862428631 826241081 /nfs/dbraw/zinc/24/10/81/826241081.db2.gz STLXOTSAXHCMSI-CYBMUJFWSA-N 1 0 292.379 1.844 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000841081574 826341163 /nfs/dbraw/zinc/34/11/63/826341163.db2.gz YANHBFZYTUPCHG-SNVBAGLBSA-N 1 0 297.355 1.916 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000877493479 826349299 /nfs/dbraw/zinc/34/92/99/826349299.db2.gz BWHTWJGNXPRWLI-QWHCGFSZSA-N 1 0 265.353 1.435 20 10 CDCDRO C[C@H](CO)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862367436 826361414 /nfs/dbraw/zinc/36/14/14/826361414.db2.gz IVEYAYOATRFUHW-SECBINFHSA-N 1 0 258.312 1.843 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CC(N)=O)C2CCOCC2)cc1 ZINC000880395652 826373284 /nfs/dbraw/zinc/37/32/84/826373284.db2.gz OXCKEEDDXWIGFQ-UHFFFAOYSA-N 1 0 291.395 1.219 20 10 CDCDRO COc1ccc(N(C)C[C@H]2CC[NH2+]C2)cc1OC ZINC000258998147 826388147 /nfs/dbraw/zinc/38/81/47/826388147.db2.gz WLOKWTCRMOTZSI-NSHDSACASA-N 1 0 250.342 1.750 20 10 CDCDRO C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000831073483 826396766 /nfs/dbraw/zinc/39/67/66/826396766.db2.gz UUWVZDINWMIHJV-WBMJQRKESA-N 1 0 290.411 1.865 20 10 CDCDRO CCOc1ccc(O)c(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841027923 826419979 /nfs/dbraw/zinc/41/99/79/826419979.db2.gz ZYNNQAVRBIKYKM-SWLSCSKDSA-N 1 0 276.380 1.975 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN(CC[NH3+])CCO)c1O ZINC000843368253 826466725 /nfs/dbraw/zinc/46/67/25/826466725.db2.gz PGULHPOFOJLCLB-UHFFFAOYSA-N 1 0 286.759 1.001 20 10 CDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988038 826692888 /nfs/dbraw/zinc/69/28/88/826692888.db2.gz DUGAERSLPCDMCJ-CWSCBRNRSA-N 1 0 250.342 1.943 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c(O)c1 ZINC000797605457 826729176 /nfs/dbraw/zinc/72/91/76/826729176.db2.gz RINZMGXWLWVPCV-INIZCTEOSA-N 1 0 292.379 1.749 20 10 CDCDRO C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cc(F)ccc1O ZINC000854232089 826741441 /nfs/dbraw/zinc/74/14/41/826741441.db2.gz LJFGJXNISQEYOA-MRVPVSSYSA-N 1 0 292.314 1.336 20 10 CDCDRO COC(=O)[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000103134730 826781762 /nfs/dbraw/zinc/78/17/62/826781762.db2.gz SXKQGBBKGFECQB-CQSZACIVSA-N 1 0 279.336 1.383 20 10 CDCDRO COc1ccc(C[NH2+][C@](C)(C(N)=O)C(C)C)cc1C ZINC000388935925 826801045 /nfs/dbraw/zinc/80/10/45/826801045.db2.gz UITIATPHJUGAPM-HNNXBMFYSA-N 1 0 264.369 1.993 20 10 CDCDRO Cn1cc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)cn1 ZINC000029539858 826803271 /nfs/dbraw/zinc/80/32/71/826803271.db2.gz WHKBTCIENPMSKT-UHFFFAOYSA-N 1 0 275.308 1.486 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000787246030 826810493 /nfs/dbraw/zinc/81/04/93/826810493.db2.gz PUQLAWNGRSHJJV-GXSJLCMTSA-N 1 0 293.319 1.504 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c(O)c1 ZINC000850342922 826826594 /nfs/dbraw/zinc/82/65/94/826826594.db2.gz OSQVEKZSECHEAP-DOMZBBRYSA-N 1 0 281.352 1.542 20 10 CDCDRO CCOCCOCC[NH2+]Cc1c(O)cccc1OC ZINC000922940208 826854731 /nfs/dbraw/zinc/85/47/31/826854731.db2.gz BCDJKAVQWQZFOA-UHFFFAOYSA-N 1 0 269.341 1.544 20 10 CDCDRO CCn1nncc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000858440629 826887950 /nfs/dbraw/zinc/88/79/50/826887950.db2.gz ZQOXAPWJTDTSQI-SNVBAGLBSA-N 1 0 276.340 1.863 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2C)c1O ZINC000722385816 826924187 /nfs/dbraw/zinc/92/41/87/826924187.db2.gz KIECGTKUWSQDKQ-VIFPVBQESA-N 1 0 270.760 1.848 20 10 CDCDRO Cc1cc(Cn2cc(CC[NH+](C)C)nn2)ccc1N(C)C ZINC000881378788 826926062 /nfs/dbraw/zinc/92/60/62/826926062.db2.gz SGVMGKMXPVYYJZ-UHFFFAOYSA-N 1 0 287.411 1.805 20 10 CDCDRO CCOCCCNC(=[NH2+])NCc1ccccc1O ZINC000848984786 826975284 /nfs/dbraw/zinc/97/52/84/826975284.db2.gz CQQMEDJWSODYPT-UHFFFAOYSA-N 1 0 251.330 1.433 20 10 CDCDRO O=C(NCc1ccccc1O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841321547 826988654 /nfs/dbraw/zinc/98/86/54/826988654.db2.gz KVZIUUGGOLREJL-UHFFFAOYSA-N 1 0 298.346 1.755 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H](O)C2CCC2)cc1OC ZINC000825240193 827030251 /nfs/dbraw/zinc/03/02/51/827030251.db2.gz IWUGUHVMLFNHMN-ZDUSSCGKSA-N 1 0 281.352 1.660 20 10 CDCDRO Cc1conc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507004 827057251 /nfs/dbraw/zinc/05/72/51/827057251.db2.gz SOXSABSPWLJQMC-ZDUSSCGKSA-N 1 0 288.351 1.479 20 10 CDCDRO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000886852254 827066321 /nfs/dbraw/zinc/06/63/21/827066321.db2.gz CGIPYEXOTCPHFO-AWEZNQCLSA-N 1 0 291.395 1.991 20 10 CDCDRO COc1cccc(C[N@H+](CCOCCO)C2CCC2)c1O ZINC000827209649 827083326 /nfs/dbraw/zinc/08/33/26/827083326.db2.gz DGFYOIBNIZKZLJ-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO Cc1cc(O)c(C[NH+](CCO)CCO)cc1Cl ZINC000862429078 827089443 /nfs/dbraw/zinc/08/94/43/827089443.db2.gz AMHDAYIPPZQLGG-UHFFFAOYSA-N 1 0 259.733 1.141 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000877786227 827093977 /nfs/dbraw/zinc/09/39/77/827093977.db2.gz AGCTUKUIYFGOBE-UHFFFAOYSA-N 1 0 294.351 1.290 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(O)c1 ZINC000877493422 827107343 /nfs/dbraw/zinc/10/73/43/827107343.db2.gz BELFOWUIEMUKBX-KBPBESRZSA-N 1 0 265.353 1.435 20 10 CDCDRO OCCOCC[NH2+]Cc1c(O)cccc1Br ZINC000706805317 827129090 /nfs/dbraw/zinc/12/90/90/827129090.db2.gz YEEAVMRHKQVATF-UHFFFAOYSA-N 1 0 290.157 1.253 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C[NH3+])OC ZINC000232115926 827344387 /nfs/dbraw/zinc/34/43/87/827344387.db2.gz WIOXVDNGKKXWGK-OAHLLOKOSA-N 1 0 293.411 1.465 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN2C)cc1F ZINC000922575906 827365144 /nfs/dbraw/zinc/36/51/44/827365144.db2.gz OGNYYGYXRKOUHI-LBPRGKRZSA-N 1 0 251.349 1.685 20 10 CDCDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1c(C)cccc1O ZINC000876782126 827399362 /nfs/dbraw/zinc/39/93/62/827399362.db2.gz OXNPYBKAUNZWFY-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CC[N@@H+]1C ZINC000841835985 827471653 /nfs/dbraw/zinc/47/16/53/827471653.db2.gz JMTSBUUWCWVOEE-DOMZBBRYSA-N 1 0 290.411 1.593 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC1([NH3+])CCC1 ZINC000237081850 827710463 /nfs/dbraw/zinc/71/04/63/827710463.db2.gz UIWWIIVEPFWMAK-UHFFFAOYSA-N 1 0 275.396 1.949 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857225991 827784309 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COc1cccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1O ZINC000841980877 828253061 /nfs/dbraw/zinc/25/30/61/828253061.db2.gz IZDATKLQQGGWLX-NWDGAFQWSA-N 1 0 293.367 1.470 20 10 CDCDRO CCN1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001173352662 912450889 /nfs/dbraw/zinc/45/08/89/912450889.db2.gz TXUAJRZBEFPGRI-GFCCVEGCSA-N 1 0 250.342 1.324 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@@H]1O ZINC001233483460 912826003 /nfs/dbraw/zinc/82/60/03/912826003.db2.gz ZWODMHXQDHMHLW-ONGXEEELSA-N 1 0 267.325 1.396 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206222260 913017439 /nfs/dbraw/zinc/01/74/39/913017439.db2.gz NNBKBPBYVIGPAC-GFCCVEGCSA-N 1 0 290.285 1.866 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1 ZINC001141156087 899822564 /nfs/dbraw/zinc/82/25/64/899822564.db2.gz DUSMNAUERRGAJF-AWEZNQCLSA-N 1 0 269.316 1.784 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001168063987 906429190 /nfs/dbraw/zinc/42/91/90/906429190.db2.gz 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ZINC001141139615 936819068 /nfs/dbraw/zinc/81/90/68/936819068.db2.gz ZDMMYUGHQIVQJJ-UHFFFAOYSA-N 1 0 262.353 1.472 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626551 923817439 /nfs/dbraw/zinc/81/74/39/923817439.db2.gz WNGHKKHLUIHZGR-ZETCQYMHSA-N 1 0 272.732 1.431 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(O)cc2O)C1 ZINC001205807292 925163701 /nfs/dbraw/zinc/16/37/01/925163701.db2.gz ZQEQQMVEPUBYQH-JQWIXIFHSA-N 1 0 250.342 1.657 20 10 CDCDRO CCOC(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203881870 925188572 /nfs/dbraw/zinc/18/85/72/925188572.db2.gz WAGDAVRPNBLPQY-UHFFFAOYSA-N 1 0 294.351 1.808 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])cc1OC ZINC001205842943 925445743 /nfs/dbraw/zinc/44/57/43/925445743.db2.gz QAXSSHGPNCIMNG-WCQYABFASA-N 1 0 294.395 1.969 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1O ZINC001273769527 925486301 /nfs/dbraw/zinc/48/63/01/925486301.db2.gz KMEVBALFDHHIEV-INIZCTEOSA-N 1 0 274.364 1.755 20 10 CDCDRO COc1cc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855030 925574394 /nfs/dbraw/zinc/57/43/94/925574394.db2.gz LJSAKJKVTAQERW-AAEUAGOBSA-N 1 0 294.395 1.969 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000841952007 937024722 /nfs/dbraw/zinc/02/47/22/937024722.db2.gz YVPNTYYMPQFUNG-HIFRSBDPSA-N 1 0 290.411 1.628 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000691434166 928615026 /nfs/dbraw/zinc/61/50/26/928615026.db2.gz ARPVMEFWLDNIED-NSHDSACASA-N 1 0 264.369 1.957 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000697603379 937284892 /nfs/dbraw/zinc/28/48/92/937284892.db2.gz HVSOZVQCFFEXRG-NWDGAFQWSA-N 1 0 284.425 1.836 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)CS(C)(=O)=O)c1O ZINC000691499956 929064728 /nfs/dbraw/zinc/06/47/28/929064728.db2.gz LFWLBNITKHBQKH-SNVBAGLBSA-N 1 0 271.382 1.477 20 10 CDCDRO CCc1cccc(C[NH2+]CCCOCCO)c1O ZINC000691494923 929066370 /nfs/dbraw/zinc/06/63/70/929066370.db2.gz QJLDVPQMBIFXRY-UHFFFAOYSA-N 1 0 253.342 1.443 20 10 CDCDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001170090236 929604308 /nfs/dbraw/zinc/60/43/08/929604308.db2.gz JRHWIDNMMREMCX-OLUVUFQESA-N 1 0 251.326 1.909 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1O ZINC001206088254 930537197 /nfs/dbraw/zinc/53/71/97/930537197.db2.gz XSCWSQPNDLTWGA-HZPDHXFCSA-N 1 0 275.396 1.181 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](C)C1 ZINC001144520388 931871258 /nfs/dbraw/zinc/87/12/58/931871258.db2.gz OKULQXSFNHZVHD-ONGXEEELSA-N 1 0 267.325 1.803 20 10 CDCDRO CN(Cc1ccon1)Cc1c(O)cc(O)cc1O ZINC001144514760 931877566 /nfs/dbraw/zinc/87/75/66/931877566.db2.gz REBIMRZKFBMENE-UHFFFAOYSA-N 1 0 250.254 1.423 20 10 CDCDRO CCCN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514872 931878931 /nfs/dbraw/zinc/87/89/31/931878931.db2.gz VXIIOEBRCVIURS-UHFFFAOYSA-N 1 0 266.341 1.331 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001144515702 931880816 /nfs/dbraw/zinc/88/08/16/931880816.db2.gz DWHBQGDBOMPNHX-UHFFFAOYSA-N 1 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948031166 /nfs/dbraw/zinc/03/11/66/948031166.db2.gz PVWDMLDCQKDSQC-ONGXEEELSA-N 1 0 266.341 1.076 20 10 CDCDRO COC(=O)C1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001257855378 948642042 /nfs/dbraw/zinc/64/20/42/948642042.db2.gz GQGWAGNPPBNMFT-UHFFFAOYSA-N 1 0 293.363 1.962 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C)C2)c(O)c1 ZINC001249177589 949441181 /nfs/dbraw/zinc/44/11/81/949441181.db2.gz FHCSLUWFQICCCJ-NSHDSACASA-N 1 0 263.337 1.950 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC001249216597 949460211 /nfs/dbraw/zinc/46/02/11/949460211.db2.gz FLLNOFGPAVJKQF-NWDGAFQWSA-N 1 0 293.363 1.717 20 10 CDCDRO CCC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001252799292 951646171 /nfs/dbraw/zinc/64/61/71/951646171.db2.gz PEXWJTVTNJIBQB-JTQLQIEISA-N 1 0 255.314 1.097 20 10 CDCDRO CC(C)(C)[NH2+]C[C@@H](O)CNCc1ccc2c(c1)CCO2 ZINC001253404756 951887336 /nfs/dbraw/zinc/88/73/36/951887336.db2.gz GGGBFKGXOMKLON-AWEZNQCLSA-N 1 0 278.396 1.460 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001325324226 953839286 /nfs/dbraw/zinc/83/92/86/953839286.db2.gz NDRHIDMSYAJGER-ZDUSSCGKSA-N 1 0 292.427 1.750 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1 ZINC001308801936 956581607 /nfs/dbraw/zinc/58/16/07/956581607.db2.gz GOKSILNIYVGHLF-HNNXBMFYSA-N 1 0 278.352 1.468 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c(O)c1 ZINC001308858365 956588823 /nfs/dbraw/zinc/58/88/23/956588823.db2.gz CVRRSHKXESYLSZ-LRDDRELGSA-N 1 0 295.379 1.850 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1Cl ZINC001330807711 956642685 /nfs/dbraw/zinc/64/26/85/956642685.db2.gz GXBZGIXERZKUPU-NSHDSACASA-N 1 0 296.754 1.591 20 10 CDCDRO C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC001330887156 956686005 /nfs/dbraw/zinc/68/60/05/956686005.db2.gz RGLRGHDAAIXSOS-UHFFFAOYSA-N 1 0 297.424 1.210 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](CF)C1)[C@@H](O)CO2 ZINC001331021320 956767758 /nfs/dbraw/zinc/76/77/58/956767758.db2.gz JOUYLQPDQUXARO-HZMBPMFUSA-N 1 0 281.327 2.000 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCc2cnn(C)c2)c1O ZINC001331533061 957124122 /nfs/dbraw/zinc/12/41/22/957124122.db2.gz KLWIJLLOAZZBRC-UHFFFAOYSA-N 1 0 275.352 1.775 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H](CO)CC(F)(F)F ZINC001331961662 957365899 /nfs/dbraw/zinc/36/58/99/957365899.db2.gz YMYODRLDLMPCPG-MRVPVSSYSA-N 1 0 279.258 1.804 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001335736745 959999993 /nfs/dbraw/zinc/99/99/93/959999993.db2.gz HRKORDGHSDIPFU-TZMCWYRMSA-N 1 0 274.368 1.162 20 10 CDCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N)cc2)C1 ZINC001336284665 960287383 /nfs/dbraw/zinc/28/73/83/960287383.db2.gz BOBFTWHNYSHZMS-CQSZACIVSA-N 1 0 261.369 1.569 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001337536501 961264131 /nfs/dbraw/zinc/26/41/31/961264131.db2.gz UXYVKLLYXCBENZ-FWPCIQOSSA-N 1 0 290.363 1.712 20 10 CDCDRO [NH3+]C1(CNC(=O)NCCCSc2nccs2)CC1 ZINC001338568361 961884527 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ZINC000237151199 282295272 /nfs/dbraw/zinc/29/52/72/282295272.db2.gz GAPDWDNRWYGZJS-NEPJUHHUSA-N 1 0 289.379 1.605 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000037751570 356528176 /nfs/dbraw/zinc/52/81/76/356528176.db2.gz JZTVVNYNPUCEAD-SNVBAGLBSA-N 1 0 266.341 1.530 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000077458051 356957297 /nfs/dbraw/zinc/95/72/97/356957297.db2.gz QLPZILQWGLVOHX-CHWSQXEVSA-N 1 0 283.393 1.838 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000187538307 357776514 /nfs/dbraw/zinc/77/65/14/357776514.db2.gz XUGOJRHIONYXSR-HNNXBMFYSA-N 1 0 279.336 1.392 20 10 CDCDRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000189932992 358046115 /nfs/dbraw/zinc/04/61/15/358046115.db2.gz BBTNVYOUJFVZQZ-CMPLNLGQSA-N 1 0 279.336 1.762 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000092096414 358537941 /nfs/dbraw/zinc/53/79/41/358537941.db2.gz DNBHLMKNHNCJEZ-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000092103551 358538402 /nfs/dbraw/zinc/53/84/02/358538402.db2.gz HUKXEBUWDGCWCY-UHFFFAOYSA-N 1 0 277.412 1.957 20 10 CDCDRO Cc1cccc(C[NH2+]CC2(O)CCOCC2)c1O ZINC000124797483 360400584 /nfs/dbraw/zinc/40/05/84/360400584.db2.gz VAEOEGIIYKDJEU-UHFFFAOYSA-N 1 0 251.326 1.332 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(C)C ZINC000293685774 370747543 /nfs/dbraw/zinc/74/75/43/370747543.db2.gz QEVAACQJJHGEHS-AWEZNQCLSA-N 1 0 280.368 1.651 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1O ZINC000271277873 364979643 /nfs/dbraw/zinc/97/96/43/364979643.db2.gz OUUSADQMXYOIEU-WCQYABFASA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1cc(F)ccc1O ZINC000273405887 365492381 /nfs/dbraw/zinc/49/23/81/365492381.db2.gz OJWPFFJYTBWPHU-DGCLKSJQSA-N 1 0 282.359 1.639 20 10 CDCDRO OC[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)O1 ZINC000293894620 370847186 /nfs/dbraw/zinc/84/71/86/370847186.db2.gz KPDACCZOWCJGME-NEPJUHHUSA-N 1 0 255.289 1.161 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000290231020 367671212 /nfs/dbraw/zinc/67/12/12/367671212.db2.gz SWHNBBRHPCJCMS-UHFFFAOYSA-N 1 0 283.393 1.534 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@H](C)C[NH3+])CC2)cc1F ZINC000286107815 368695688 /nfs/dbraw/zinc/69/56/88/368695688.db2.gz NYDIMKZJZMLNEM-LLVKDONJSA-N 1 0 295.358 1.078 20 10 CDCDRO CCN(C[C@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289299317 369540210 /nfs/dbraw/zinc/54/02/10/369540210.db2.gz CHWRDSNGLHHIDJ-OAHLLOKOSA-N 1 0 278.396 1.977 20 10 CDCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000288497982 370192749 /nfs/dbraw/zinc/19/27/49/370192749.db2.gz BBTZWNVPKWYPHH-DGCLKSJQSA-N 1 0 262.353 1.739 20 10 CDCDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)C[NH+](C)C ZINC000295286124 371193341 /nfs/dbraw/zinc/19/33/41/371193341.db2.gz IXLZRNBJUWXSHN-MRVPVSSYSA-N 1 0 270.304 1.164 20 10 CDCDRO COC[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000294113385 371355195 /nfs/dbraw/zinc/35/51/95/371355195.db2.gz CZQDCFSUFPYJTP-OAHLLOKOSA-N 1 0 279.336 1.979 20 10 CDCDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1c(F)ccc(O)c1O ZINC000295950390 371533822 /nfs/dbraw/zinc/53/38/22/371533822.db2.gz LSYKQVJSJYHPEF-UHFFFAOYSA-N 1 0 296.342 1.793 20 10 CDCDRO CCOC[C@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1 ZINC000530103965 374475697 /nfs/dbraw/zinc/47/56/97/374475697.db2.gz AKHVSNHSFCWCFI-CQSZACIVSA-N 1 0 295.379 1.947 20 10 CDCDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000134230800 375620247 /nfs/dbraw/zinc/62/02/47/375620247.db2.gz REPUGCCIHDYZQO-MNOVXSKESA-N 1 0 250.342 1.785 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCNC1=O ZINC000294047854 378621782 /nfs/dbraw/zinc/62/17/82/378621782.db2.gz JEEXVQIQPQDGNI-HNNXBMFYSA-N 1 0 275.396 1.771 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C)CC2)c1 ZINC000131595944 390928578 /nfs/dbraw/zinc/92/85/78/390928578.db2.gz WLYMIYLXGXGSSI-UHFFFAOYSA-N 1 0 250.342 1.538 20 10 CDCDRO CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)[NH+](CC)CC ZINC000269095678 391239088 /nfs/dbraw/zinc/23/90/88/391239088.db2.gz MRFOEUVXYSYUKF-LBPRGKRZSA-N 1 0 280.368 1.834 20 10 CDCDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000179582544 391212755 /nfs/dbraw/zinc/21/27/55/391212755.db2.gz GXVMXWIGUWVDHE-CHWSQXEVSA-N 1 0 264.369 1.555 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000183379016 391263428 /nfs/dbraw/zinc/26/34/28/391263428.db2.gz FCEKHJUVPOAVCC-CYBMUJFWSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1O ZINC000193682007 391344094 /nfs/dbraw/zinc/34/40/94/391344094.db2.gz REFZCPCITHNIOL-BXKDBHETSA-N 1 0 264.325 1.015 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)N(C)CC)c1O ZINC000188482941 391438086 /nfs/dbraw/zinc/43/80/86/391438086.db2.gz XVSYMIAAOHTXQO-NSHDSACASA-N 1 0 280.368 1.747 20 10 CDCDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000038029448 174020208 /nfs/dbraw/zinc/02/02/08/174020208.db2.gz KAWPQUDYKCAXGW-ZDUSSCGKSA-N 1 0 275.396 1.802 20 10 CDCDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccccc1O ZINC000038047287 174056441 /nfs/dbraw/zinc/05/64/41/174056441.db2.gz OSPJAYBJUMPLOZ-JTQLQIEISA-N 1 0 257.355 1.478 20 10 CDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000155674839 261105940 /nfs/dbraw/zinc/10/59/40/261105940.db2.gz FGPGNGLXUGDNDR-HZMBPMFUSA-N 1 0 281.375 1.881 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156729456 261130846 /nfs/dbraw/zinc/13/08/46/261130846.db2.gz YJHQPDUICQLESI-UHFFFAOYSA-N 1 0 266.341 1.097 20 10 CDCDRO CC[C@H]1C(=O)NCCN1Cc1cc(OC)c(OC)cc1O ZINC000160158675 261206615 /nfs/dbraw/zinc/20/66/15/261206615.db2.gz ZJXGTFFXHICGGG-NSHDSACASA-N 1 0 294.351 1.120 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)COC2)c(O)c1 ZINC000186146392 262081751 /nfs/dbraw/zinc/08/17/51/262081751.db2.gz MPURDGGPWWBGDB-NSHDSACASA-N 1 0 251.326 1.360 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)c(O)c1 ZINC000186221576 262084627 /nfs/dbraw/zinc/08/46/27/262084627.db2.gz RVWLMTIYHBAQSD-JTQLQIEISA-N 1 0 250.342 1.863 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186224135 262312176 /nfs/dbraw/zinc/31/21/76/262312176.db2.gz BMWVUPAEVMLQPD-SECBINFHSA-N 1 0 268.332 1.954 20 10 CDCDRO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000291314729 263121348 /nfs/dbraw/zinc/12/13/48/263121348.db2.gz RYXQFFWBGUTFJG-CQSZACIVSA-N 1 0 265.353 1.938 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000188496477 264006401 /nfs/dbraw/zinc/00/64/01/264006401.db2.gz GWHCBKPIHGQPBT-JTQLQIEISA-N 1 0 266.341 1.357 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1 ZINC000129639866 264329727 /nfs/dbraw/zinc/32/97/27/264329727.db2.gz HCCBTFYDJBENHY-QWHCGFSZSA-N 1 0 251.326 1.650 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H]2CCOC2)cc1OC ZINC000271811175 328197598 /nfs/dbraw/zinc/19/75/98/328197598.db2.gz KUBNBDIFRWDNJB-MNOVXSKESA-N 1 0 281.352 1.924 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(O)c1O ZINC000272914734 328201567 /nfs/dbraw/zinc/20/15/67/328201567.db2.gz DNEFWWWWXSZIFO-AAEUAGOBSA-N 1 0 290.363 1.572 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000178711221 329202800 /nfs/dbraw/zinc/20/28/00/329202800.db2.gz HHHDNSIHSLHGKM-MRXNPFEDSA-N 1 0 291.370 1.605 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000180707249 329222461 /nfs/dbraw/zinc/22/24/61/329222461.db2.gz VFODKLMUQSGBOI-HOTGVXAUSA-N 1 0 293.363 1.781 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CO)CC2)cc1 ZINC000127571498 329600577 /nfs/dbraw/zinc/60/05/77/329600577.db2.gz CXYHUSJZUVYDJU-LBPRGKRZSA-N 1 0 264.369 1.634 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)CC[NH3+])CC2)cc1 ZINC000237279614 329694351 /nfs/dbraw/zinc/69/43/51/329694351.db2.gz KQWIVHKWDYYQHM-UHFFFAOYSA-N 1 0 277.368 1.083 20 10 CDCDRO Cc1c2ccccc2n(C)c1CNC1=[NH+]CCCN1 ZINC000262365249 330010966 /nfs/dbraw/zinc/01/09/66/330010966.db2.gz LAHXFBRRDBWBHW-UHFFFAOYSA-N 1 0 256.353 1.926 20 10 CDCDRO CCCOc1ccc(C[NH2+]CC2(O)CCOCC2)c(O)c1 ZINC000236809651 520366752 /nfs/dbraw/zinc/36/67/52/520366752.db2.gz DJQDRFKTMFXDLU-UHFFFAOYSA-N 1 0 295.379 1.812 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2cccc(OC)c2O)C1 ZINC000277468523 521653270 /nfs/dbraw/zinc/65/32/70/521653270.db2.gz CASCQCSACSDTJD-UHFFFAOYSA-N 1 0 281.352 1.420 20 10 CDCDRO CC[C@H](CCO)C[NH2+]Cc1cccc(OC)c1O ZINC000094949345 522143200 /nfs/dbraw/zinc/14/32/00/522143200.db2.gz YHOQPMUPQYNYFR-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1OC ZINC000280307220 522778135 /nfs/dbraw/zinc/77/81/35/522778135.db2.gz PIPTZEUXFBGCNL-OAHLLOKOSA-N 1 0 294.351 1.107 20 10 CDCDRO COCC[N@H+](C)CCCNC(=O)NCc1ccccc1O ZINC000299542051 523579385 /nfs/dbraw/zinc/57/93/85/523579385.db2.gz VSNJHTALBWTMCT-UHFFFAOYSA-N 1 0 295.383 1.160 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000364972809 524744873 /nfs/dbraw/zinc/74/48/73/524744873.db2.gz LMVKYLSWDGQPGL-ZBINZKHDSA-N 1 0 290.363 1.487 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cn2ccnc2)c1 ZINC000037156904 524755735 /nfs/dbraw/zinc/75/57/35/524755735.db2.gz WDYMTPYTINUPLL-LLVKDONJSA-N 1 0 261.325 1.776 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800744 524763498 /nfs/dbraw/zinc/76/34/98/524763498.db2.gz VMARKXLLIVRCGL-OLZOCXBDSA-N 1 0 293.411 1.297 20 10 CDCDRO C[C@@H]1CN(c2ccc(CNC(N)=[NH2+])cc2F)C[C@H](C)O1 ZINC000263979412 525063922 /nfs/dbraw/zinc/06/39/22/525063922.db2.gz QQLLDCKTHVEGPM-AOOOYVTPSA-N 1 0 280.347 1.422 20 10 CDCDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(F)ccc1O ZINC000094617773 525345327 /nfs/dbraw/zinc/34/53/27/525345327.db2.gz IHRNYISFHHXZJQ-VIFPVBQESA-N 1 0 275.345 1.617 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800934 525364414 /nfs/dbraw/zinc/36/44/14/525364414.db2.gz ROCNVGCTTHTGLE-UONOGXRCSA-N 1 0 277.412 1.597 20 10 CDCDRO Cc1cn[nH]c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000289783549 526031670 /nfs/dbraw/zinc/03/16/70/526031670.db2.gz HGRAGGBDYKFTNM-UHFFFAOYSA-N 1 0 286.379 1.845 20 10 CDCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278375603 526338116 /nfs/dbraw/zinc/33/81/16/526338116.db2.gz LDUNBEABWGCGJP-IRXDYDNUSA-N 1 0 285.343 1.597 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000157068454 526971376 /nfs/dbraw/zinc/97/13/76/526971376.db2.gz BWEMDRHTWNYTQM-MRVPVSSYSA-N 1 0 299.168 1.462 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649625 527476471 /nfs/dbraw/zinc/47/64/71/527476471.db2.gz RAPNKMAGNOFFPJ-ZDUSSCGKSA-N 1 0 273.380 1.412 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000294999889 527480519 /nfs/dbraw/zinc/48/05/19/527480519.db2.gz ICXQAPVNTVYLRK-CJNGLKHVSA-N 1 0 273.380 1.317 20 10 CDCDRO CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1O ZINC000726251285 574495421 /nfs/dbraw/zinc/49/54/21/574495421.db2.gz WLTDQQXVXMTOBI-UHFFFAOYSA-N 1 0 265.357 1.532 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)OC)cc2F)CC1 ZINC000730235515 574902693 /nfs/dbraw/zinc/90/26/93/574902693.db2.gz CCEIVHIXMJBSJE-UHFFFAOYSA-N 1 0 295.358 1.824 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000732290440 575087288 /nfs/dbraw/zinc/08/72/88/575087288.db2.gz PQDHIXZRGLLQTN-VIFPVBQESA-N 1 0 254.355 1.525 20 10 CDCDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000734066924 575155367 /nfs/dbraw/zinc/15/53/67/575155367.db2.gz HORVQLFVKCONCX-NSHDSACASA-N 1 0 295.383 1.540 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000734163186 575161039 /nfs/dbraw/zinc/16/10/39/575161039.db2.gz BMGDDTWMELNBBN-GFCCVEGCSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1cccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000769507248 575353849 /nfs/dbraw/zinc/35/38/49/575353849.db2.gz BEGUJVRWRDVEOZ-TXEJJXNPSA-N 1 0 292.379 1.890 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(O)c1 ZINC000769524318 575356680 /nfs/dbraw/zinc/35/66/80/575356680.db2.gz LHXGWJQYSZIFEU-LBPRGKRZSA-N 1 0 292.379 1.878 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC)c(O)c1 ZINC000768346476 576273958 /nfs/dbraw/zinc/27/39/58/576273958.db2.gz OKHKYCTZRDMRRK-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO CC[N@H+](CCOC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441231 576283634 /nfs/dbraw/zinc/28/36/34/576283634.db2.gz XLFQGRWVQNSLNP-CYBMUJFWSA-N 1 0 267.325 1.286 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cccc(C)c2O)CCOC1 ZINC000768531945 576293647 /nfs/dbraw/zinc/29/36/47/576293647.db2.gz BZUWIVYTUGGCAD-OAHLLOKOSA-N 1 0 279.336 1.512 20 10 CDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1O ZINC000769365139 576348755 /nfs/dbraw/zinc/34/87/55/576348755.db2.gz NGVMZBUNRDBKAJ-VXGBXAGGSA-N 1 0 262.353 1.881 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CC(O)C2)c1O ZINC000759874880 576439855 /nfs/dbraw/zinc/43/98/55/576439855.db2.gz QDKUVTQORTWZNG-UHFFFAOYSA-N 1 0 267.300 1.689 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1 ZINC000762570004 576655166 /nfs/dbraw/zinc/65/51/66/576655166.db2.gz VPSTWTOAJAQGJU-QGZVFWFLSA-N 1 0 291.439 1.689 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNc1cc[nH+]cc1C(N)=O ZINC000762800758 576673949 /nfs/dbraw/zinc/67/39/49/576673949.db2.gz DZBDBVCZOPXSND-UHFFFAOYSA-N 1 0 284.363 1.589 20 10 CDCDRO COc1cccc(O)c1C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000754153495 576882583 /nfs/dbraw/zinc/88/25/83/576882583.db2.gz JCPZXOMCQDRDDH-OKILXGFUSA-N 1 0 267.325 1.246 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc2c(cc1O)CCCC2 ZINC000756554563 576995456 /nfs/dbraw/zinc/99/54/56/576995456.db2.gz IIPNLLLUEPQFPK-IUODEOHRSA-N 1 0 292.423 1.844 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CO)CC(F)F)c(O)c1 ZINC000758613851 577122289 /nfs/dbraw/zinc/12/22/89/577122289.db2.gz NZOUGGPFXZMGFD-JTQLQIEISA-N 1 0 275.295 1.897 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000775986172 617593707 /nfs/dbraw/zinc/59/37/07/617593707.db2.gz PKPFTNUQWNXEDB-RYUDHWBXSA-N 1 0 264.369 1.925 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000858580643 617200234 /nfs/dbraw/zinc/20/02/34/617200234.db2.gz SOZXKBWPIJJNEE-QWRGUYRKSA-N 1 0 266.341 1.760 20 10 CDCDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1O ZINC000892027993 617421928 /nfs/dbraw/zinc/42/19/28/617421928.db2.gz OXTBUVMIDRSQMF-JOYOIKCWSA-N 1 0 263.341 1.490 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1O ZINC000892076692 617464625 /nfs/dbraw/zinc/46/46/25/617464625.db2.gz CKRLPSBNGQPUHL-LOWVWBTDSA-N 1 0 277.368 1.750 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(O)c1OC ZINC000894255462 618280621 /nfs/dbraw/zinc/28/06/21/618280621.db2.gz ZDSPNDCBRUUGHA-SKDRFNHKSA-N 1 0 294.351 1.024 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000894255820 618288936 /nfs/dbraw/zinc/28/89/36/618288936.db2.gz JPUGBJIAEMWOHU-CQSZACIVSA-N 1 0 293.411 1.045 20 10 CDCDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817889796 618482298 /nfs/dbraw/zinc/48/22/98/618482298.db2.gz VXPHQMWPHMWNCM-HUUCEWRRSA-N 1 0 293.386 1.632 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000822503044 618548026 /nfs/dbraw/zinc/54/80/26/618548026.db2.gz DBFVSGFRZRGVOB-ZDUSSCGKSA-N 1 0 288.351 1.829 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C)C2)c1O ZINC000042544181 618588333 /nfs/dbraw/zinc/58/83/33/618588333.db2.gz WPTRAFYMPHKRSA-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)C2CC2)c1O ZINC000894148529 618634480 /nfs/dbraw/zinc/63/44/80/618634480.db2.gz ZRNYBRYFAHQLJY-UHFFFAOYSA-N 1 0 278.352 1.325 20 10 CDCDRO CCOc1ccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c(O)c1 ZINC000843057038 618691471 /nfs/dbraw/zinc/69/14/71/618691471.db2.gz FOBBUMIEQGLBFN-ABAIWWIYSA-N 1 0 280.368 1.339 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000894326656 618776305 /nfs/dbraw/zinc/77/63/05/618776305.db2.gz QMDWFMFMWSWGBG-AWEZNQCLSA-N 1 0 283.393 1.667 20 10 CDCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894331270 618783801 /nfs/dbraw/zinc/78/38/01/618783801.db2.gz CRPRWMFFIXDHAQ-ZDUSSCGKSA-N 1 0 292.379 1.810 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](CO)CC2CC2)c(O)c1OC ZINC000895395755 619631667 /nfs/dbraw/zinc/63/16/67/619631667.db2.gz BUKIPGBHDHCHPJ-GFCCVEGCSA-N 1 0 295.379 1.908 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c(O)c1OC ZINC000897676706 621063781 /nfs/dbraw/zinc/06/37/81/621063781.db2.gz WKHDICZDABVODS-KOLCDFICSA-N 1 0 267.325 1.222 20 10 CDCDRO C[NH+](C)CC1(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910944669 629125715 /nfs/dbraw/zinc/12/57/15/629125715.db2.gz WSMKZCIHYZAMLZ-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO COc1ccc(N2CCN(CC[NH+](C)C)CC2)cc1 ZINC000058457984 1167241182 /nfs/dbraw/zinc/24/11/82/1167241182.db2.gz BNPWRBSHCADFSP-UHFFFAOYSA-N 1 0 263.385 1.379 20 10 CDCDRO CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)c1cccc(O)c1O ZINC001576384289 1171408798 /nfs/dbraw/zinc/40/87/98/1171408798.db2.gz PQCDXZGRZDPKSR-HONMWMINSA-N 1 0 290.363 1.604 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC001579638504 1172231470 /nfs/dbraw/zinc/23/14/70/1172231470.db2.gz ZTVMHHSFQFLUMJ-QMTHXVAHSA-N 1 0 284.787 1.902 20 10 CDCDRO O=C(NCc1cccc(O)c1O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580718100 1172521132 /nfs/dbraw/zinc/52/11/32/1172521132.db2.gz BAPFLXUFPOWOHI-LBPRGKRZSA-N 1 0 290.363 1.494 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000300555672 1186381144 /nfs/dbraw/zinc/38/11/44/1186381144.db2.gz WRWNBUZOGIMEPI-SRVKXCTJSA-N 1 0 265.353 1.846 20 10 CDCDRO CC[NH+]1CCC(NCc2ccc(O)c(O)c2)CC1 ZINC000037977184 1165813220 /nfs/dbraw/zinc/81/32/20/1165813220.db2.gz XSSSBTZIAXEPRG-UHFFFAOYSA-N 1 0 250.342 1.672 20 10 CDCDRO Cc1nocc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000397911579 833074156 /nfs/dbraw/zinc/07/41/56/833074156.db2.gz LMPOHQMMQFBQDI-UHFFFAOYSA-N 1 0 262.265 1.707 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000843488107 833084540 /nfs/dbraw/zinc/08/45/40/833084540.db2.gz QZEAVBYLYGFUEV-FICVDOATSA-N 1 0 273.380 1.176 20 10 CDCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC000861641261 833095372 /nfs/dbraw/zinc/09/53/72/833095372.db2.gz QOJMGJYNPJNPFS-HNNXBMFYSA-N 1 0 290.411 1.451 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](O)C3)CC2)cc1 ZINC000850417704 833299294 /nfs/dbraw/zinc/29/92/94/833299294.db2.gz IMOWNBKAHHAHMZ-CTYIDZIISA-N 1 0 276.380 1.777 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CCC[NH3+])c1 ZINC000842000535 833302507 /nfs/dbraw/zinc/30/25/07/833302507.db2.gz WWUWQMZSRFETEY-QWRGUYRKSA-N 1 0 295.383 1.888 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(C(N)=O)CCCC1 ZINC000877149642 833316452 /nfs/dbraw/zinc/31/64/52/833316452.db2.gz FIQIBMWBWZEYGQ-UHFFFAOYSA-N 1 0 262.353 1.836 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c1 ZINC000840825776 833318587 /nfs/dbraw/zinc/31/85/87/833318587.db2.gz LHZIEALZYOKOSQ-VXGBXAGGSA-N 1 0 262.353 1.877 20 10 CDCDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccccc1O ZINC000783521419 833323249 /nfs/dbraw/zinc/32/32/49/833323249.db2.gz XEGXTQFVGZVAEE-LLVKDONJSA-N 1 0 258.325 1.945 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000802660619 828853669 /nfs/dbraw/zinc/85/36/69/828853669.db2.gz RJERFFSNHSAODO-CYBMUJFWSA-N 1 0 255.289 1.307 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000019408615 828868289 /nfs/dbraw/zinc/86/82/89/828868289.db2.gz RYJQTEVWVCXPKG-OAHLLOKOSA-N 1 0 289.379 1.096 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000824892824 833327004 /nfs/dbraw/zinc/32/70/04/833327004.db2.gz CKMWRYWQOGLKCR-SMDDNHRTSA-N 1 0 262.353 1.537 20 10 CDCDRO COc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000832177780 828884102 /nfs/dbraw/zinc/88/41/02/828884102.db2.gz GJOHHVVJJQLUCB-LBPRGKRZSA-N 1 0 278.352 1.549 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c1O ZINC000229121230 828886942 /nfs/dbraw/zinc/88/69/42/828886942.db2.gz BVPYWCOMENHHSO-LBPRGKRZSA-N 1 0 298.770 1.765 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1O ZINC000126928336 828964891 /nfs/dbraw/zinc/96/48/91/828964891.db2.gz QUNKEGQKEIRVHA-LLVKDONJSA-N 1 0 285.365 1.068 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]([NH3+])CCSC)c(O)c1 ZINC000832177612 833348645 /nfs/dbraw/zinc/34/86/45/833348645.db2.gz BVSWBPDVWLYKBR-LLVKDONJSA-N 1 0 284.381 1.097 20 10 CDCDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000775984365 833348949 /nfs/dbraw/zinc/34/89/49/833348949.db2.gz FUSZPIQYURAGBF-QWRGUYRKSA-N 1 0 278.352 1.645 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CC(=O)N[C@@H](C)C1 ZINC000840950284 833359098 /nfs/dbraw/zinc/35/90/98/833359098.db2.gz ILLGEHIFQBNTRN-LBPRGKRZSA-N 1 0 261.369 1.381 20 10 CDCDRO COc1ccc(O)c(C[N@H+](CCO)CC2CC2)c1 ZINC000775662506 833369727 /nfs/dbraw/zinc/36/97/27/833369727.db2.gz UBYPKDQOEZQGMK-UHFFFAOYSA-N 1 0 251.326 1.605 20 10 CDCDRO Cn1cc([C@@H](CO)[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921939322 833373869 /nfs/dbraw/zinc/37/38/69/833373869.db2.gz XSVAYQJNUQKWFX-OAHLLOKOSA-N 1 0 287.363 1.568 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC[C@@H](C)CCO ZINC000824515022 829194173 /nfs/dbraw/zinc/19/41/73/829194173.db2.gz CTMJCXIAHLFXJT-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](O)[C@@H](O)CC2)cc1F ZINC000886260348 829205908 /nfs/dbraw/zinc/20/59/08/829205908.db2.gz VGUBALYQLBAPBF-BZWBGLRVSA-N 1 0 296.386 1.646 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000083552482 833384386 /nfs/dbraw/zinc/38/43/86/833384386.db2.gz QFTJDBXOORTOFQ-NEPJUHHUSA-N 1 0 296.798 1.998 20 10 CDCDRO NC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707153054 833385292 /nfs/dbraw/zinc/38/52/92/833385292.db2.gz SZMCFSONCJPCPE-QMMMGPOBSA-N 1 0 299.168 1.462 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H]([NH3+])C[C@@H]2C)c1O ZINC000866684441 833391119 /nfs/dbraw/zinc/39/11/19/833391119.db2.gz YVFBBWXHCXSFBF-QPUJVOFHSA-N 1 0 266.316 1.655 20 10 CDCDRO CCOc1ccc(C[N@H+](CCO)CCCOC)c(O)c1 ZINC000783731142 833406469 /nfs/dbraw/zinc/40/64/69/833406469.db2.gz YITJZHFPHZQZPW-UHFFFAOYSA-N 1 0 283.368 1.622 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1(C)COC1 ZINC000863296486 829444528 /nfs/dbraw/zinc/44/45/28/829444528.db2.gz MUGQHTAVYPRZBC-CYBMUJFWSA-N 1 0 279.336 1.286 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000842005690 829573084 /nfs/dbraw/zinc/57/30/84/829573084.db2.gz JMJOSTDDWSMPPG-VHSXEESVSA-N 1 0 281.356 1.498 20 10 CDCDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000793586085 829586425 /nfs/dbraw/zinc/58/64/25/829586425.db2.gz FRPWFWKHTAXWKD-RYUDHWBXSA-N 1 0 298.814 1.933 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000280168965 833431306 /nfs/dbraw/zinc/43/13/06/833431306.db2.gz FWBHAEVAAGADSA-MWLCHTKSSA-N 1 0 293.319 1.362 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1 ZINC000886231913 829631254 /nfs/dbraw/zinc/63/12/54/829631254.db2.gz NEPJTBPZMCSOHH-ZBFHGGJFSA-N 1 0 278.396 1.772 20 10 CDCDRO COc1ccc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000844221918 829693034 /nfs/dbraw/zinc/69/30/34/829693034.db2.gz YNMGCSRVJUMINU-CYBMUJFWSA-N 1 0 293.386 1.566 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850406935 829743620 /nfs/dbraw/zinc/74/36/20/829743620.db2.gz ZLXLQPWSSBVSGD-UKRRQHHQSA-N 1 0 290.407 1.915 20 10 CDCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846167272 829823255 /nfs/dbraw/zinc/82/32/55/829823255.db2.gz VXAAJMYYSNWFAT-FZWSLVFFSA-N 1 0 295.379 1.981 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH2+][C@@H](C)[C@H]2C)c1 ZINC000379448401 829848907 /nfs/dbraw/zinc/84/89/07/829848907.db2.gz ZLMIFOCOXCFHPZ-WDEREUQCSA-N 1 0 250.342 1.583 20 10 CDCDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)NCC(F)F ZINC000887355028 829880329 /nfs/dbraw/zinc/88/03/29/829880329.db2.gz AIGVZZQDDGOJIK-UHFFFAOYSA-N 1 0 280.322 1.942 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)C(F)(F)F)cc1OC ZINC000792191978 833585679 /nfs/dbraw/zinc/58/56/79/833585679.db2.gz HGEIZDYHLVGXEQ-LLVKDONJSA-N 1 0 295.257 1.422 20 10 CDCDRO COc1cccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1O ZINC000825312262 829924666 /nfs/dbraw/zinc/92/46/66/829924666.db2.gz RWCJAFBNKBENNI-CMPLNLGQSA-N 1 0 251.326 1.604 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)ccc1N(C)C ZINC000815119842 833567565 /nfs/dbraw/zinc/56/75/65/833567565.db2.gz HVXXGMPWYZZWTJ-AWEZNQCLSA-N 1 0 275.396 1.758 20 10 CDCDRO COc1cc(Cl)cc(CN2CCO[C@H](C[NH3+])C2)c1O ZINC000164662022 833584117 /nfs/dbraw/zinc/58/41/17/833584117.db2.gz PJXCNLJTYPDHFD-LLVKDONJSA-N 1 0 286.759 1.214 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000877037299 830036661 /nfs/dbraw/zinc/03/66/61/830036661.db2.gz ZQEJEXICOGAAOO-DGCLKSJQSA-N 1 0 292.379 1.938 20 10 CDCDRO C[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000706821357 830092428 /nfs/dbraw/zinc/09/24/28/830092428.db2.gz DDSXELVZBHSBTI-SSDOTTSWSA-N 1 0 260.131 1.625 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c(O)c1 ZINC000794378004 830087839 /nfs/dbraw/zinc/08/78/39/830087839.db2.gz SJMQIAPBHIFTLO-CQSZACIVSA-N 1 0 280.368 1.603 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)COC2CC2)cc1 ZINC000884009769 830117552 /nfs/dbraw/zinc/11/75/52/830117552.db2.gz HIJSQXKSRJAMMV-CQSZACIVSA-N 1 0 277.368 1.048 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(OCC)ccc1O ZINC000835074036 830265885 /nfs/dbraw/zinc/26/58/85/830265885.db2.gz FUACOYYCANSVMD-UHFFFAOYSA-N 1 0 280.368 1.795 20 10 CDCDRO COc1cc(Br)cc(CN[C@H](C)C[NH3+])c1O ZINC000841059595 830285206 /nfs/dbraw/zinc/28/52/06/830285206.db2.gz GYJZIPWTAMJDRY-SSDOTTSWSA-N 1 0 289.173 1.600 20 10 CDCDRO CS[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299667 830306356 /nfs/dbraw/zinc/30/63/56/830306356.db2.gz FVCCBEPLBHONDP-GXFFZTMASA-N 1 0 281.425 1.620 20 10 CDCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000848917173 830313411 /nfs/dbraw/zinc/31/34/11/830313411.db2.gz PONVPJIBEMEOCL-UHFFFAOYSA-N 1 0 283.393 1.621 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844186677 830318768 /nfs/dbraw/zinc/31/87/68/830318768.db2.gz OJDDJFYZARXTGD-FICVDOATSA-N 1 0 273.380 1.143 20 10 CDCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCc1ccc(N)cc1 ZINC000844164421 830321340 /nfs/dbraw/zinc/32/13/40/830321340.db2.gz HTVRIAZBQIQVDD-BETUJISGSA-N 1 0 275.396 1.800 20 10 CDCDRO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877019104 830326143 /nfs/dbraw/zinc/32/61/43/830326143.db2.gz GOARLHKLTWSWGJ-OAHLLOKOSA-N 1 0 289.423 1.441 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH3+])c1ccc(N(C)C)cc1 ZINC000841882720 830483785 /nfs/dbraw/zinc/48/37/85/830483785.db2.gz NJCBQVDGNIZCFT-NWDGAFQWSA-N 1 0 278.400 1.850 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1cc(C)ccc1O ZINC000791006217 830533665 /nfs/dbraw/zinc/53/36/65/830533665.db2.gz DQXHCANNVQGKTK-CQSZACIVSA-N 1 0 283.368 1.204 20 10 CDCDRO CS(=O)(=O)CC[NH2+]CCCSc1nccs1 ZINC000819063617 830665722 /nfs/dbraw/zinc/66/57/22/830665722.db2.gz ODHZVZWTKGHMDT-UHFFFAOYSA-N 1 0 280.440 1.260 20 10 CDCDRO CCC1(C[NH2+]Cc2cccc(OC)c2O)COC1 ZINC000393970870 830726150 /nfs/dbraw/zinc/72/61/50/830726150.db2.gz MAQOVROKWQLCTL-UHFFFAOYSA-N 1 0 251.326 1.917 20 10 CDCDRO Cc1cccc(C[NH2+]C(C)(C)CN2CCOCC2)c1O ZINC000308639400 830730663 /nfs/dbraw/zinc/73/06/63/830730663.db2.gz KEHNXVODJCUOLF-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996990 830801169 /nfs/dbraw/zinc/80/11/69/830801169.db2.gz OOKLRVOMCCSRAP-AWEZNQCLSA-N 1 0 265.353 1.497 20 10 CDCDRO C[C@@H]([NH2+]CC[C@@H]1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000846860918 833672712 /nfs/dbraw/zinc/67/27/12/833672712.db2.gz NIWJVNSJLJLBSA-TZMCWYRMSA-N 1 0 275.396 1.929 20 10 CDCDRO COc1cc(O)c(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1OC ZINC000775986684 833701990 /nfs/dbraw/zinc/70/19/90/833701990.db2.gz RYAPJMKSKNWKML-NEPJUHHUSA-N 1 0 294.395 1.934 20 10 CDCDRO Cc1nc[nH]c1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506956 833769045 /nfs/dbraw/zinc/76/90/45/833769045.db2.gz RSPQUKIZQOVHSZ-ZDUSSCGKSA-N 1 0 287.367 1.214 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000876910288 832094784 /nfs/dbraw/zinc/09/47/84/832094784.db2.gz BKCCPWJLSGGXKI-VIFPVBQESA-N 1 0 252.314 1.015 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(=O)[nH]n1 ZINC000796739055 832099076 /nfs/dbraw/zinc/09/90/76/832099076.db2.gz PAMXOUDRLUWYNR-SNVBAGLBSA-N 1 0 271.320 1.968 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000178894333 832203636 /nfs/dbraw/zinc/20/36/36/832203636.db2.gz IWMYNRGFRUOXME-CQSZACIVSA-N 1 0 265.353 1.856 20 10 CDCDRO C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000832267451 832286597 /nfs/dbraw/zinc/28/65/97/832286597.db2.gz SDMAHWIOOBWACZ-NHYWBVRUSA-N 1 0 275.396 1.915 20 10 CDCDRO C[N@@H+]1CC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477628 832297200 /nfs/dbraw/zinc/29/72/00/832297200.db2.gz VHSAJSILPBHCEK-SECBINFHSA-N 1 0 268.744 1.614 20 10 CDCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000228074683 833818181 /nfs/dbraw/zinc/81/81/81/833818181.db2.gz SZSVZMRHIWMYET-BDAKNGLRSA-N 1 0 253.298 1.370 20 10 CDCDRO COc1cccc(C[NH2+]CCc2ccn(C)n2)c1O ZINC000230880551 832310005 /nfs/dbraw/zinc/31/00/05/832310005.db2.gz BAQIUFUNWBBNKM-UHFFFAOYSA-N 1 0 261.325 1.467 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841054635 833821388 /nfs/dbraw/zinc/82/13/88/833821388.db2.gz FWLXDDCXNLEFPF-UHFFFAOYSA-N 1 0 292.383 1.055 20 10 CDCDRO CCC[N@H+](CC(=O)NCC)Cc1ccccc1O ZINC000174374333 832357927 /nfs/dbraw/zinc/35/79/27/832357927.db2.gz XIUKBDCFOQHRGB-UHFFFAOYSA-N 1 0 250.342 1.740 20 10 CDCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)c(O)c2O)C1 ZINC000780918481 832360734 /nfs/dbraw/zinc/36/07/34/832360734.db2.gz UXPNTFYYXQBKFC-LBPRGKRZSA-N 1 0 292.379 1.868 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000862755040 832365428 /nfs/dbraw/zinc/36/54/28/832365428.db2.gz BCQCUJRRPDGQQC-AWEZNQCLSA-N 1 0 274.364 1.944 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1C ZINC000280277395 832374027 /nfs/dbraw/zinc/37/40/27/832374027.db2.gz NCDPHMCIHMIZQE-ZWNOBZJWSA-N 1 0 279.336 1.642 20 10 CDCDRO CN(C(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(N)cc1 ZINC000877077774 832381452 /nfs/dbraw/zinc/38/14/52/832381452.db2.gz UHQBQZPIPYKXTG-LLVKDONJSA-N 1 0 265.382 1.327 20 10 CDCDRO CC(C)[N@H+](C)CCCNC(=O)c1cccc(O)c1O ZINC000228736174 832385513 /nfs/dbraw/zinc/38/55/13/832385513.db2.gz FELGVMWPLQESBF-UHFFFAOYSA-N 1 0 266.341 1.558 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1F ZINC000858301288 833855785 /nfs/dbraw/zinc/85/57/85/833855785.db2.gz UJMCZDYGLYKVOL-TZMCWYRMSA-N 1 0 268.332 1.131 20 10 CDCDRO CN(C)c1ccc([C@H](N)C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000841046239 833862218 /nfs/dbraw/zinc/86/22/18/833862218.db2.gz YHWWJTOMGYWWJN-CZUORRHYSA-N 1 0 277.412 1.769 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c(O)c1 ZINC000877326282 832587764 /nfs/dbraw/zinc/58/77/64/832587764.db2.gz VRAVKTMQJYERJF-DIFFPNOSSA-N 1 0 255.383 1.899 20 10 CDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819097164 833893022 /nfs/dbraw/zinc/89/30/22/833893022.db2.gz YJMAYGOJNFBCPG-MRXNPFEDSA-N 1 0 276.380 1.550 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1=O ZINC000722350744 832614058 /nfs/dbraw/zinc/61/40/58/832614058.db2.gz GYNQWUKRULXPPM-LBPRGKRZSA-N 1 0 266.316 1.632 20 10 CDCDRO COc1ccc(CNC(=O)CCCCC[NH3+])c(O)c1 ZINC000083492617 833899796 /nfs/dbraw/zinc/89/97/96/833899796.db2.gz ZRJLAMPKEBMFOO-UHFFFAOYSA-N 1 0 266.341 1.536 20 10 CDCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000776811617 832622460 /nfs/dbraw/zinc/62/24/60/832622460.db2.gz BGDXFKKIPGENAK-ZFWWWQNUSA-N 1 0 281.352 1.302 20 10 CDCDRO CON1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000709372969 833978762 /nfs/dbraw/zinc/97/87/62/833978762.db2.gz FMWODMJPFDDIJA-CYBMUJFWSA-N 1 0 262.353 1.995 20 10 CDCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000825278768 832791587 /nfs/dbraw/zinc/79/15/87/832791587.db2.gz IFYBRTVCYDAXLK-ZDUSSCGKSA-N 1 0 277.368 1.628 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](C)O)cc1 ZINC000844401125 832805318 /nfs/dbraw/zinc/80/53/18/832805318.db2.gz HXAUYPBIFQIBSC-GFCCVEGCSA-N 1 0 252.358 1.444 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877591391 832813685 /nfs/dbraw/zinc/81/36/85/832813685.db2.gz CZVCOMZRGKCXPB-UHFFFAOYSA-N 1 0 277.368 1.594 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000249781506 832814695 /nfs/dbraw/zinc/81/46/95/832814695.db2.gz CYWPBHSFQUMRHU-GXFFZTMASA-N 1 0 251.326 1.604 20 10 CDCDRO C[N@H+](CCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000841004599 832856950 /nfs/dbraw/zinc/85/69/50/832856950.db2.gz UMRJNNHTNIXTGY-UHFFFAOYSA-N 1 0 263.385 1.304 20 10 CDCDRO CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(C)cc1O ZINC000794815304 832860303 /nfs/dbraw/zinc/86/03/03/832860303.db2.gz OMTOEMYNVMPVGE-HOCLYGCPSA-N 1 0 278.396 1.808 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1O ZINC000230681242 832878544 /nfs/dbraw/zinc/87/85/44/832878544.db2.gz IGLZHOXBMKZLJE-VXGBXAGGSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC[C@H]2CCC[NH2+]2)c1 ZINC000817951212 832886707 /nfs/dbraw/zinc/88/67/07/832886707.db2.gz BRHAIEXKJJUAMF-GHMZBOCLSA-N 1 0 250.342 1.803 20 10 CDCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2ccccc2O)C1 ZINC000701594183 832891793 /nfs/dbraw/zinc/89/17/93/832891793.db2.gz WRPAOJMBSDSONI-WFASDCNBSA-N 1 0 278.352 1.118 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654575 832893102 /nfs/dbraw/zinc/89/31/02/832893102.db2.gz NELGQSIUJLUPCZ-CQSZACIVSA-N 1 0 278.400 1.535 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC2CC(O)C2)c(O)c1 ZINC000785984242 833774333 /nfs/dbraw/zinc/77/43/33/833774333.db2.gz KLWLTEHBWNPETQ-UHFFFAOYSA-N 1 0 265.353 1.994 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CCO[C@H](C)C2)c1O ZINC000848895604 833830806 /nfs/dbraw/zinc/83/08/06/833830806.db2.gz OOIHDSSKIFYSFO-CYBMUJFWSA-N 1 0 278.396 1.765 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1Cl ZINC000826123029 833858421 /nfs/dbraw/zinc/85/84/21/833858421.db2.gz CQEHHTFZHVFDHN-DGCLKSJQSA-N 1 0 285.771 1.529 20 10 CDCDRO COCC(COC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000388505732 834068805 /nfs/dbraw/zinc/06/88/05/834068805.db2.gz OJEZHSKIPBHQMM-UHFFFAOYSA-N 1 0 294.395 1.274 20 10 CDCDRO CCN(C)c1ccc(Cn2cc(COCC[NH3+])nn2)cc1 ZINC000881313192 834079171 /nfs/dbraw/zinc/07/91/71/834079171.db2.gz CRQNWKPCBAVTCN-UHFFFAOYSA-N 1 0 289.383 1.258 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)NC(C)C)c1O ZINC000846139761 834108729 /nfs/dbraw/zinc/10/87/29/834108729.db2.gz ZCRVERKEVHNGCX-LLVKDONJSA-N 1 0 280.368 1.966 20 10 CDCDRO C[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876964488 834312616 /nfs/dbraw/zinc/31/26/16/834312616.db2.gz GYHGHMYOTQNBRY-GFCCVEGCSA-N 1 0 264.369 1.118 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc(F)cc(C(C)=O)c1O ZINC000933868412 834459397 /nfs/dbraw/zinc/45/93/97/834459397.db2.gz XCPBESQSOXYOTL-UHFFFAOYSA-N 1 0 296.342 1.692 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027796 834646767 /nfs/dbraw/zinc/64/67/67/834646767.db2.gz GIORXDWARLXZLL-CYBMUJFWSA-N 1 0 285.347 1.651 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@H](CO)OC[C@H]2C)c1O ZINC000305800497 834720177 /nfs/dbraw/zinc/72/01/77/834720177.db2.gz XDJKAQOXTQCHJW-DGCLKSJQSA-N 1 0 251.326 1.282 20 10 CDCDRO O=C(C[NH2+]Cc1cc(F)ccc1O)NCc1ccccc1 ZINC000226588613 834848641 /nfs/dbraw/zinc/84/86/41/834848641.db2.gz RMJMLEZFXDMZSH-UHFFFAOYSA-N 1 0 288.322 1.937 20 10 CDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000843065110 834854054 /nfs/dbraw/zinc/85/40/54/834854054.db2.gz IZKYQFLHLLKOKA-KRWDZBQOSA-N 1 0 292.423 1.756 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000862755043 834855064 /nfs/dbraw/zinc/85/50/64/834855064.db2.gz BCQCUJRRPDGQQC-CQSZACIVSA-N 1 0 274.364 1.944 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN(C)OC)c1O ZINC000850478691 834860480 /nfs/dbraw/zinc/86/04/80/834860480.db2.gz WVZVWFFYBXMELT-JTQLQIEISA-N 1 0 254.330 1.545 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C[NH3+])c1O ZINC000843350102 834877993 /nfs/dbraw/zinc/87/79/93/834877993.db2.gz KDYHGBBFTBKPHP-QMMMGPOBSA-N 1 0 254.305 1.513 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(OC)c1O ZINC000890066948 834890284 /nfs/dbraw/zinc/89/02/84/834890284.db2.gz DMCILYFVMNNUIU-LBPRGKRZSA-N 1 0 293.367 1.294 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1cc(OC)ccc1O ZINC000135763345 834895240 /nfs/dbraw/zinc/89/52/40/834895240.db2.gz NBMVRHVMDIHIMU-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H](O)C2CCOCC2)c(O)c1 ZINC000877044354 834926975 /nfs/dbraw/zinc/92/69/75/834926975.db2.gz ZLOOIHFFTIBJDK-HNNXBMFYSA-N 1 0 265.353 1.578 20 10 CDCDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)c1ccccc1O ZINC000827940860 834937238 /nfs/dbraw/zinc/93/72/38/834937238.db2.gz JONBRGDHIGUIFB-CHWSQXEVSA-N 1 0 292.379 1.538 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000827700010 835030859 /nfs/dbraw/zinc/03/08/59/835030859.db2.gz NXJGWVWPNUUKOU-ABAIWWIYSA-N 1 0 265.353 1.851 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956033 835171490 /nfs/dbraw/zinc/17/14/90/835171490.db2.gz OEKWFYFSLRUZCE-LSDHHAIUSA-N 1 0 296.436 1.757 20 10 CDCDRO COC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC000840937194 835195430 /nfs/dbraw/zinc/19/54/30/835195430.db2.gz PNSZTGPNBSNVSF-HNNXBMFYSA-N 1 0 266.385 1.812 20 10 CDCDRO C[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843047443 835319720 /nfs/dbraw/zinc/31/97/20/835319720.db2.gz MBMZVHBPVDNSII-HNNXBMFYSA-N 1 0 288.439 1.232 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c1 ZINC000840804108 835363911 /nfs/dbraw/zinc/36/39/11/835363911.db2.gz ZXYUQIVVPWBHJC-QWHCGFSZSA-N 1 0 290.367 1.312 20 10 CDCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000824708932 835373752 /nfs/dbraw/zinc/37/37/52/835373752.db2.gz LJIZBGPVLVVOQP-YGRLFVJLSA-N 1 0 269.316 1.672 20 10 CDCDRO CC[NH2+]CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841917420 835425596 /nfs/dbraw/zinc/42/55/96/835425596.db2.gz MWIRISRMTWWPTP-NSHDSACASA-N 1 0 295.383 1.761 20 10 CDCDRO CC[N@H+](CCNC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000220264869 835457244 /nfs/dbraw/zinc/45/72/44/835457244.db2.gz RKTUEYLOEMAMQK-UHFFFAOYSA-N 1 0 262.357 1.875 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000128107982 835468313 /nfs/dbraw/zinc/46/83/13/835468313.db2.gz SVQFGNJHNMQXCD-DGCLKSJQSA-N 1 0 264.369 1.973 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCN2CCNC2=O)cc1C ZINC000886323603 835533872 /nfs/dbraw/zinc/53/38/72/835533872.db2.gz AZCOXMMKJYSAQV-UHFFFAOYSA-N 1 0 263.341 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MKQFIPNADYEUGR-CQSZACIVSA-N 1 0 273.380 1.594 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c2ccccc2n1C ZINC001138252590 936501774 /nfs/dbraw/zinc/50/17/74/936501774.db2.gz MPIJXYARZZXGFD-GUYCJALGSA-N 1 0 288.391 1.662 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)CO)c(OC)c1 ZINC001138385898 936528631 /nfs/dbraw/zinc/52/86/31/936528631.db2.gz CMKKUPOCDGGNHN-HNNXBMFYSA-N 1 0 296.411 1.326 20 10 CDCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCC(=O)N1 ZINC001202899006 936600264 /nfs/dbraw/zinc/60/02/64/936600264.db2.gz AZAPDVDPMDIDBR-AWEZNQCLSA-N 1 0 275.396 1.853 20 10 CDCDRO CC(C)(C)[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](O)CO ZINC001140337816 936702916 /nfs/dbraw/zinc/70/29/16/936702916.db2.gz GTUJETYORNIMRC-SNVBAGLBSA-N 1 0 287.787 1.999 20 10 CDCDRO OC[C@]1(F)CCN(Cc2ccc(Cl)cc2O)C1 ZINC001140461933 936712250 /nfs/dbraw/zinc/71/22/50/936712250.db2.gz YZTWGUOHRCQMKO-LBPRGKRZSA-N 1 0 259.708 1.952 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCCN(C)CC2)c1O ZINC001140742001 936748215 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O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001168987238 927621824 /nfs/dbraw/zinc/62/18/24/927621824.db2.gz HRMHATOHZADLSH-MWLCHTKSSA-N 1 0 266.297 1.633 20 10 CDCDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001169437238 928058740 /nfs/dbraw/zinc/05/87/40/928058740.db2.gz MSNOVSNAYRMTAM-GFCCVEGCSA-N 1 0 294.395 1.877 20 10 CDCDRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000694592637 937259715 /nfs/dbraw/zinc/25/97/15/937259715.db2.gz ZTLCXOYKHXYDSE-LBPRGKRZSA-N 1 0 269.366 1.449 20 10 CDCDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000400752422 937261074 /nfs/dbraw/zinc/26/10/74/937261074.db2.gz DHFCBDDCRXEHCG-JQWIXIFHSA-N 1 0 250.342 1.772 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1CO ZINC000857061809 928658294 /nfs/dbraw/zinc/65/82/94/928658294.db2.gz VWWHBBRYWXVRRV-PWSUYJOCSA-N 1 0 253.317 1.982 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](CO)CCOC)c1O ZINC000691493965 929067034 /nfs/dbraw/zinc/06/70/34/929067034.db2.gz MJUBLGFUSHVMQS-CYBMUJFWSA-N 1 0 253.342 1.442 20 10 CDCDRO COc1ccc(O)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1 ZINC001206117478 931713736 /nfs/dbraw/zinc/71/37/36/931713736.db2.gz PERSINODUPEASM-JTQLQIEISA-N 1 0 272.295 1.569 20 10 CDCDRO Nc1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC001120544570 937808276 /nfs/dbraw/zinc/80/82/76/937808276.db2.gz BHRCULWSKWXMNB-AWEZNQCLSA-N 1 0 276.384 1.600 20 10 CDCDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC001122264619 937916721 /nfs/dbraw/zinc/91/67/21/937916721.db2.gz TWLHJYZSFZWDSX-GRYCIOLGSA-N 1 0 261.369 1.409 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c(O)c1 ZINC001206682428 939332912 /nfs/dbraw/zinc/33/29/12/939332912.db2.gz BECNQKJECCUDQA-CYBMUJFWSA-N 1 0 286.322 1.959 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001203562212 939693444 /nfs/dbraw/zinc/69/34/44/939693444.db2.gz FHKTYFSEVCLKMI-CYBMUJFWSA-N 1 0 289.310 1.975 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1O ZINC001203591862 939694972 /nfs/dbraw/zinc/69/49/72/939694972.db2.gz MNOJLSBFOHXZAR-INIZCTEOSA-N 1 0 290.363 1.503 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1O ZINC001203604033 939695987 /nfs/dbraw/zinc/69/59/87/939695987.db2.gz ZFEAVTTUTVDHFW-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(C[N@H+](C)CCC2OCCO2)c(O)c1 ZINC001203628807 939697741 /nfs/dbraw/zinc/69/77/41/939697741.db2.gz ITNFAFPOKQWMMH-UHFFFAOYSA-N 1 0 267.325 1.596 20 10 CDCDRO C[NH+](C)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203873319 939709799 /nfs/dbraw/zinc/70/97/99/939709799.db2.gz CFMUXKIPNWGZSS-UHFFFAOYSA-N 1 0 250.342 1.624 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@@]1(C)O ZINC001203875204 939710588 /nfs/dbraw/zinc/71/05/88/939710588.db2.gz KFXPEYZXWLRUSX-IINYFYTJSA-N 1 0 251.326 1.691 20 10 CDCDRO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204277935 939750781 /nfs/dbraw/zinc/75/07/81/939750781.db2.gz PUNZGOGGRQBNER-CYBMUJFWSA-N 1 0 251.326 1.955 20 10 CDCDRO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccc(O)cc1O ZINC001204277362 939751279 /nfs/dbraw/zinc/75/12/79/939751279.db2.gz BJXQAVAQAKEHEL-ZDUSSCGKSA-N 1 0 289.335 1.061 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204342173 939757682 /nfs/dbraw/zinc/75/76/82/939757682.db2.gz JKVKLZGXNXTSRN-JTQLQIEISA-N 1 0 267.325 1.575 20 10 CDCDRO COc1cc(C[NH+]2CCC(OC)CC2)cc(O)c1O ZINC001204344629 939758387 /nfs/dbraw/zinc/75/83/87/939758387.db2.gz WGNWWAIGQRFPGS-UHFFFAOYSA-N 1 0 267.325 1.717 20 10 CDCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001276470331 939769193 /nfs/dbraw/zinc/76/91/93/939769193.db2.gz MCUAPZDSZJDABW-AOOOYVTPSA-N 1 0 284.306 1.185 20 10 CDCDRO COc1cc(C)c(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197332 939834759 /nfs/dbraw/zinc/83/47/59/939834759.db2.gz LYMUXYSJFPHARU-ZWNOBZJWSA-N 1 0 250.342 1.631 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H](F)C[C@H]([NH3+])C2)c1 ZINC001206404610 940033097 /nfs/dbraw/zinc/03/30/97/940033097.db2.gz MNNQNAIQXUYRIL-MNOVXSKESA-N 1 0 254.305 1.272 20 10 CDCDRO Cc1c(O)ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1O ZINC001206423455 940036698 /nfs/dbraw/zinc/03/66/98/940036698.db2.gz KJCJBMBMZIVGJS-QWRGUYRKSA-N 1 0 254.305 1.277 20 10 CDCDRO C[N@@H+]1CCC2(CN(Cc3cccc(F)c3O)C2)C1 ZINC001276537863 940210842 /nfs/dbraw/zinc/21/08/42/940210842.db2.gz OBLADHZVZOBMAM-UHFFFAOYSA-N 1 0 250.317 1.669 20 10 CDCDRO COC(=O)c1ccc(Nc2cc[nH+]cc2OC)c(O)c1 ZINC001211260244 940743627 /nfs/dbraw/zinc/74/36/27/940743627.db2.gz JXIGEJPISSHOHT-UHFFFAOYSA-N 1 0 274.276 1.748 20 10 CDCDRO Nc1ccc(CC(=O)NCc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001219705839 941382540 /nfs/dbraw/zinc/38/25/40/941382540.db2.gz QCYAYDLOSIICSL-UHFFFAOYSA-N 1 0 295.386 1.773 20 10 CDCDRO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001276958617 941733432 /nfs/dbraw/zinc/73/34/32/941733432.db2.gz RJNSMBXDPSFDBA-OAHLLOKOSA-N 1 0 287.407 1.663 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCOC[C@](C)(O)C2)c1O ZINC001231591284 942938515 /nfs/dbraw/zinc/93/85/15/942938515.db2.gz ZFRMDNBIDIYXDU-CQSZACIVSA-N 1 0 251.326 1.284 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)c(O)cc1O ZINC001231639274 942956982 /nfs/dbraw/zinc/95/69/82/942956982.db2.gz HOHNRFCOUKLKCV-AWEZNQCLSA-N 1 0 265.309 1.471 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231851231 943028103 /nfs/dbraw/zinc/02/81/03/943028103.db2.gz ALYJIPGLJGKVNI-ZDUSSCGKSA-N 1 0 292.379 1.756 20 10 CDCDRO COCC1C[NH+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231848543 943029468 /nfs/dbraw/zinc/02/94/68/943029468.db2.gz IFAVCXDEUNZJAR-UHFFFAOYSA-N 1 0 264.369 1.839 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[NH+](C)CC1 ZINC001231848042 943029808 /nfs/dbraw/zinc/02/98/08/943029808.db2.gz FPZSOKKVCGLVNS-UHFFFAOYSA-N 1 0 263.385 1.509 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1O ZINC001232258485 943190466 /nfs/dbraw/zinc/19/04/66/943190466.db2.gz AAUKZEDMKKRDRB-OQPBUACISA-N 1 0 271.744 1.954 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001232835289 943414196 /nfs/dbraw/zinc/41/41/96/943414196.db2.gz AAPQRDIDAIZACJ-MRXNPFEDSA-N 1 0 292.379 1.450 20 10 CDCDRO Oc1cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)cc(O)c1O ZINC001233015784 943464645 /nfs/dbraw/zinc/46/46/45/943464645.db2.gz ASIFOJNJNFSPEE-ZWNOBZJWSA-N 1 0 265.309 1.414 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233335005 943549035 /nfs/dbraw/zinc/54/90/35/943549035.db2.gz CYMJFKZEGMZLSE-UHFFFAOYSA-N 1 0 272.295 1.581 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001233483072 943591925 /nfs/dbraw/zinc/59/19/25/943591925.db2.gz MXPZZISMDAZFIE-VIFPVBQESA-N 1 0 289.278 1.253 20 10 CDCDRO CCC[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485777 943594107 /nfs/dbraw/zinc/59/41/07/943594107.db2.gz KKNHJKLWGQBFBQ-UHFFFAOYSA-N 1 0 266.341 1.331 20 10 CDCDRO CCOCC[NH+](CCOCC)Cc1cc(O)c(O)cc1O ZINC001233485831 943594248 /nfs/dbraw/zinc/59/42/48/943594248.db2.gz MJQPDDVCTSVULW-UHFFFAOYSA-N 1 0 299.367 1.678 20 10 CDCDRO C[C@H](CC(=O)NCc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001263303727 943822007 /nfs/dbraw/zinc/82/20/07/943822007.db2.gz GGMAREPVXSKIQJ-OCCSQVGLSA-N 1 0 275.396 1.911 20 10 CDCDRO O=C([O-])c1ccc(CN2CCCC[C@@]23CC[NH2+]C3)c(O)c1 ZINC001235121597 944060532 /nfs/dbraw/zinc/06/05/32/944060532.db2.gz QXPGZQBLOMCZPT-INIZCTEOSA-N 1 0 290.363 1.808 20 10 CDCDRO Cc1cc(CN2CC[NH2+]C[C@@H]2CO)c(C)n1-c1ccccc1 ZINC001235439036 944156287 /nfs/dbraw/zinc/15/62/87/944156287.db2.gz AEFMQTXOTZQIKR-GOSISDBHSA-N 1 0 299.418 1.860 20 10 CDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(F)c(F)cc1O)C2 ZINC001235997017 944365018 /nfs/dbraw/zinc/36/50/18/944365018.db2.gz ZBPWIRNJCZGWGZ-NOZJJQNGSA-N 1 0 254.280 1.594 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236293602 944452648 /nfs/dbraw/zinc/45/26/48/944452648.db2.gz YSPTYNOITXUTCR-UKRRQHHQSA-N 1 0 275.396 1.642 20 10 CDCDRO c1c(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001236297288 944456475 /nfs/dbraw/zinc/45/64/75/944456475.db2.gz UVAHUZYJCWOACC-IRXDYDNUSA-N 1 0 283.419 1.789 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC001236814471 944578809 /nfs/dbraw/zinc/57/88/09/944578809.db2.gz RXQGBISVGABUNB-SNVBAGLBSA-N 1 0 264.325 1.016 20 10 CDCDRO [NH3+]Cc1cncc(-c2ccn(Cc3ccccn3)c(=O)c2)c1 ZINC001239806281 945592744 /nfs/dbraw/zinc/59/27/44/945592744.db2.gz ANCMVXZEOQAYAT-UHFFFAOYSA-N 1 0 292.342 1.812 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)C(C)C)c1O ZINC001262110180 946439552 /nfs/dbraw/zinc/43/95/52/946439552.db2.gz VGCAXKUNJFDMIZ-GFCCVEGCSA-N 1 0 253.342 1.816 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CC3CCN(CC3)C2)cc1O ZINC001254839565 947616919 /nfs/dbraw/zinc/61/69/19/947616919.db2.gz SQWSBYKHWRQBSL-CYBMUJFWSA-N 1 0 292.379 1.420 20 10 CDCDRO COc1ccc(N2CCN([C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001255432912 947883611 /nfs/dbraw/zinc/88/36/11/947883611.db2.gz VXHORUSDCIHRTO-OAHLLOKOSA-N 1 0 275.396 1.521 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246861415 948486876 /nfs/dbraw/zinc/48/68/76/948486876.db2.gz JRECCTYUBQCKRN-KBPBESRZSA-N 1 0 292.379 1.508 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)CC2(C)COC2)c(O)c1 ZINC001249201286 949455832 /nfs/dbraw/zinc/45/58/32/949455832.db2.gz MWEQJLHTMFWOLY-UHFFFAOYSA-N 1 0 293.363 1.576 20 10 CDCDRO CN(C)C(=O)CC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336117023 955248282 /nfs/dbraw/zinc/24/82/82/955248282.db2.gz LHGCYPAZXTWNGA-UHFFFAOYSA-N 1 0 275.396 1.959 20 10 CDCDRO O[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001329737258 956091375 /nfs/dbraw/zinc/09/13/75/956091375.db2.gz YOPHQSFKVMDAMY-QGZVFWFLSA-N 1 0 289.423 1.443 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001308032546 956459854 /nfs/dbraw/zinc/45/98/54/956459854.db2.gz AXZXHDVXOJLGLE-CYBMUJFWSA-N 1 0 286.383 1.645 20 10 CDCDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N)cc1 ZINC001335726021 959992455 /nfs/dbraw/zinc/99/24/55/959992455.db2.gz QLTPPARSBUSOBT-UHFFFAOYSA-N 1 0 278.400 1.750 20 10 CDCDRO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001335736708 959999155 /nfs/dbraw/zinc/99/91/55/959999155.db2.gz GKLBSCLKTKYGBG-UHFFFAOYSA-N 1 0 290.411 1.941 20 10 CDCDRO C[NH2+]C1(C(=O)NCc2c(O)cccc2F)CCC1 ZINC001341012157 963238570 /nfs/dbraw/zinc/23/85/70/963238570.db2.gz QWHJVPNMQZDUSS-UHFFFAOYSA-N 1 0 252.289 1.290 20 10 CDCDRO CC[C@@]1(C(=O)NCc2c(O)cccc2F)CC[NH2+]C1 ZINC001342538298 963760949 /nfs/dbraw/zinc/76/09/49/963760949.db2.gz XCPMFMCOFJSUCF-CQSZACIVSA-N 1 0 266.316 1.537 20 10 CDCDRO C[C@H](NC(=O)NCc1ccc(N)cc1)C1=CC[N@H+](C)CC1 ZINC001346405030 965086419 /nfs/dbraw/zinc/08/64/19/965086419.db2.gz HHSHVSQEJFQSQP-LBPRGKRZSA-N 1 0 288.395 1.718 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001575140563 1171123598 /nfs/dbraw/zinc/12/35/98/1171123598.db2.gz SOLNDNGZDBTDPE-ZDUSSCGKSA-N 1 0 261.369 1.758 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001575460631 1171179013 /nfs/dbraw/zinc/17/90/13/1171179013.db2.gz OFTWWUJZUUIODI-LLVKDONJSA-N 1 0 277.328 1.562 20 10 CDCDRO CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000090849154 342397637 /nfs/dbraw/zinc/39/76/37/342397637.db2.gz FXUXGCFOHNKQEB-JKSUJKDBSA-N 1 0 278.396 1.945 20 10 CDCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000158029082 362188605 /nfs/dbraw/zinc/18/86/05/362188605.db2.gz TZMNXZJXBRXODI-CYBMUJFWSA-N 1 0 296.798 1.952 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000219452605 344888848 /nfs/dbraw/zinc/88/88/48/344888848.db2.gz BEXHIIGVTKMTAS-NSHDSACASA-N 1 0 262.275 1.765 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c1O ZINC000295124825 199358392 /nfs/dbraw/zinc/35/83/92/199358392.db2.gz NTJALKXLKREAJP-OAHLLOKOSA-N 1 0 278.396 1.637 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1ccc(N)cc1 ZINC001579026360 1172084815 /nfs/dbraw/zinc/08/48/15/1172084815.db2.gz RLQYVKZJDRMVMS-UHFFFAOYSA-N 1 0 251.374 1.279 20 10 CDCDRO COc1cc(C)cc(CN[C@H]2CC[NH2+][C@@H]2C)c1O ZINC001579145842 1172106520 /nfs/dbraw/zinc/10/65/20/1172106520.db2.gz XTTYIYYMRPTGAH-PWSUYJOCSA-N 1 0 250.342 1.549 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180219476 357252089 /nfs/dbraw/zinc/25/20/89/357252089.db2.gz MHZMQPBLDSWFMU-LLVKDONJSA-N 1 0 278.352 1.359 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](CC)CC(N)=O)cc1 ZINC000188069852 357842408 /nfs/dbraw/zinc/84/24/08/357842408.db2.gz NDLMQJZEZKVBEA-UHFFFAOYSA-N 1 0 263.385 1.840 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@@H](C)O1 ZINC000188365995 357885634 /nfs/dbraw/zinc/88/56/34/357885634.db2.gz VUTICPHZZHARPC-BXUZGUMPSA-N 1 0 281.352 1.637 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCOC2)c(O)c1 ZINC000294911968 199243657 /nfs/dbraw/zinc/24/36/57/199243657.db2.gz WOAFGCRPZUIHNT-SWLSCSKDSA-N 1 0 265.353 1.811 20 10 CDCDRO COc1ccc(O)c(CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000134171979 361527389 /nfs/dbraw/zinc/52/73/89/361527389.db2.gz OIMPZZIJTQLBJG-LBPRGKRZSA-N 1 0 250.342 1.537 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000267613532 363858098 /nfs/dbraw/zinc/85/80/98/363858098.db2.gz RZMHZYKCKLTMDU-NSHDSACASA-N 1 0 278.352 1.620 20 10 CDCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000271889006 365004815 /nfs/dbraw/zinc/00/48/15/365004815.db2.gz WWGVVRXONZTIFU-AWEZNQCLSA-N 1 0 267.300 1.788 20 10 CDCDRO CC(C)N(Cc1nnn(C)n1)Cc1ccc(N(C)C)cc1 ZINC000281430830 367636878 /nfs/dbraw/zinc/63/68/78/367636878.db2.gz JDKWTJMDRJSATE-UHFFFAOYSA-N 1 0 288.399 1.687 20 10 CDCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(O)c1O ZINC000253087727 370215304 /nfs/dbraw/zinc/21/53/04/370215304.db2.gz DLSIPVMDNBRKSP-MNOVXSKESA-N 1 0 276.336 1.454 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000295178932 371140957 /nfs/dbraw/zinc/14/09/57/371140957.db2.gz VKDYNBORGWEQDC-ZDUSSCGKSA-N 1 0 294.351 1.673 20 10 CDCDRO CC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000194157022 375914746 /nfs/dbraw/zinc/91/47/46/375914746.db2.gz GORBFUWTZAMBJU-UHFFFAOYSA-N 1 0 275.396 1.807 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000186146080 262081938 /nfs/dbraw/zinc/08/19/38/262081938.db2.gz SCSKEVNJIATUIE-LLVKDONJSA-N 1 0 251.326 1.360 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000119387072 390847336 /nfs/dbraw/zinc/84/73/36/390847336.db2.gz KKLHHVUXPDVPAC-GFCCVEGCSA-N 1 0 252.333 1.848 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC000093101820 390899831 /nfs/dbraw/zinc/89/98/31/390899831.db2.gz CADPAGXWLOFIFK-UHFFFAOYSA-N 1 0 278.352 1.503 20 10 CDCDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1O ZINC000176237074 391149468 /nfs/dbraw/zinc/14/94/68/391149468.db2.gz YBJCBJQCZWPNAC-UHFFFAOYSA-N 1 0 276.296 1.629 20 10 CDCDRO Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)c(O)c1O ZINC000177660102 391173808 /nfs/dbraw/zinc/17/38/08/391173808.db2.gz HJWLFJAYMYKKJN-UHFFFAOYSA-N 1 0 280.368 1.724 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000124522700 391218477 /nfs/dbraw/zinc/21/84/77/391218477.db2.gz PWJFWZDELNKZAV-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCC(O)CC1)OCO2 ZINC000007142049 170268540 /nfs/dbraw/zinc/26/85/40/170268540.db2.gz AQSRXCWEVWJOCB-UHFFFAOYSA-N 1 0 251.282 1.078 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000186475783 262094845 /nfs/dbraw/zinc/09/48/45/262094845.db2.gz KGZJLFYJKCRWCB-LBPRGKRZSA-N 1 0 282.315 1.852 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000130975422 276375080 /nfs/dbraw/zinc/37/50/80/276375080.db2.gz XYPBBLQPCOHUKJ-JEOXALJRSA-N 1 0 285.409 1.990 20 10 CDCDRO COc1cccc(C[N@@H+](CC(N)=O)CC(C)C)c1O ZINC000132901691 278009985 /nfs/dbraw/zinc/00/99/85/278009985.db2.gz HMWYNFMKMCRTRR-UHFFFAOYSA-N 1 0 266.341 1.344 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000366332196 280872520 /nfs/dbraw/zinc/87/25/20/280872520.db2.gz YDGJJKGVJCYRTJ-HNNXBMFYSA-N 1 0 291.395 1.471 20 10 CDCDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000230672165 329368159 /nfs/dbraw/zinc/36/81/59/329368159.db2.gz IUCYUJBPUAZWJP-ONGXEEELSA-N 1 0 257.305 1.843 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000134589364 334096462 /nfs/dbraw/zinc/09/64/62/334096462.db2.gz BARPMMCDPSKMQR-LBPRGKRZSA-N 1 0 292.379 1.891 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)COC)cc1 ZINC000281000306 520286879 /nfs/dbraw/zinc/28/68/79/520286879.db2.gz NODALVIACUYEJO-OCCSQVGLSA-N 1 0 266.385 1.801 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](CC)C(N)=O ZINC000076074296 521690847 /nfs/dbraw/zinc/69/08/47/521690847.db2.gz INRFVUMHANGXII-LBPRGKRZSA-N 1 0 250.342 1.868 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278178643 521868558 /nfs/dbraw/zinc/86/85/58/521868558.db2.gz GQNKDOFZLXGSQF-JTQLQIEISA-N 1 0 282.296 1.266 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC000275869985 522172964 /nfs/dbraw/zinc/17/29/64/522172964.db2.gz JRKJIMKYPUOLJD-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO COC(=O)CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000037286332 523017170 /nfs/dbraw/zinc/01/71/70/523017170.db2.gz NDXAIGZJKGTNFK-UHFFFAOYSA-N 1 0 292.379 1.770 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000120145639 524044196 /nfs/dbraw/zinc/04/41/96/524044196.db2.gz ZQGCLTVZNFJDOA-UHFFFAOYSA-N 1 0 263.385 1.614 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)CN2CCOCC2)cc1C ZINC000037273629 524088752 /nfs/dbraw/zinc/08/87/52/524088752.db2.gz XXIYOECAFRUESR-CQSZACIVSA-N 1 0 278.396 1.814 20 10 CDCDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1ccccn1 ZINC000262516874 524117300 /nfs/dbraw/zinc/11/73/00/524117300.db2.gz GUSIGTYDFUZSHN-JTQLQIEISA-N 1 0 272.352 1.566 20 10 CDCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000036999064 524327978 /nfs/dbraw/zinc/32/79/78/524327978.db2.gz MMYPBESJYUENAF-CYBMUJFWSA-N 1 0 275.396 1.802 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccccc1O ZINC000068800504 525486475 /nfs/dbraw/zinc/48/64/75/525486475.db2.gz MLCJIKCUKIHMPS-CHWSQXEVSA-N 1 0 263.385 1.289 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000279665123 525948507 /nfs/dbraw/zinc/94/85/07/525948507.db2.gz MLENHROYFCDVBM-LRDDRELGSA-N 1 0 293.363 1.781 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCOC1 ZINC000088687595 526432653 /nfs/dbraw/zinc/43/26/53/526432653.db2.gz BPYICTRRALLIEA-CQSZACIVSA-N 1 0 262.353 1.402 20 10 CDCDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)O1 ZINC000364895814 527076383 /nfs/dbraw/zinc/07/63/83/527076383.db2.gz WEBPZRHPHKGQKM-CQSZACIVSA-N 1 0 280.299 1.606 20 10 CDCDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cccc(O)c1O ZINC000278304933 527609703 /nfs/dbraw/zinc/60/97/03/527609703.db2.gz BJQRQHIHONCGEC-UHFFFAOYSA-N 1 0 290.363 1.702 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000725846566 574443965 /nfs/dbraw/zinc/44/39/65/574443965.db2.gz HOYGKQGZCJLJTI-CYBMUJFWSA-N 1 0 267.325 1.296 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000725849064 574444387 /nfs/dbraw/zinc/44/43/87/574444387.db2.gz FXEJSGAQWPYDAR-LLVKDONJSA-N 1 0 273.336 1.912 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCN(C)C2)c(O)c1 ZINC000729682584 574820519 /nfs/dbraw/zinc/82/05/19/574820519.db2.gz WBGGDUGZICEJED-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1=CC(=O)CS1 ZINC000732271529 575085410 /nfs/dbraw/zinc/08/54/10/575085410.db2.gz IXSGDPXPMNOQAF-SECBINFHSA-N 1 0 266.366 1.668 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCCC(=O)NC)c(O)c1 ZINC000769505903 575353781 /nfs/dbraw/zinc/35/37/81/575353781.db2.gz QMEPIBFNWSSVAL-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000771933077 575638802 /nfs/dbraw/zinc/63/88/02/575638802.db2.gz BUWCPHPHZOGPCZ-LBPRGKRZSA-N 1 0 278.352 1.488 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@]2(OC)CCOC2)cc1OC ZINC000764681723 575933647 /nfs/dbraw/zinc/93/36/47/575933647.db2.gz HPJAZJULMOJVPA-HNNXBMFYSA-N 1 0 297.351 1.305 20 10 CDCDRO CS[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H]1[NH+](C)C ZINC000765273777 576003817 /nfs/dbraw/zinc/00/38/17/576003817.db2.gz XOVOIZOMSDJQKB-ONGXEEELSA-N 1 0 286.422 1.571 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)c(O)c1 ZINC000765795032 576056799 /nfs/dbraw/zinc/05/67/99/576056799.db2.gz GVSRTPXKVMCVAZ-KBPBESRZSA-N 1 0 292.379 1.795 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000766468764 576105056 /nfs/dbraw/zinc/10/50/56/576105056.db2.gz MKLIXNWDMSFJDU-MRXNPFEDSA-N 1 0 291.347 1.433 20 10 CDCDRO CC(C)(CO)[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769445352 576354368 /nfs/dbraw/zinc/35/43/68/576354368.db2.gz GSQJQIJSMJDPHJ-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000761205458 576559048 /nfs/dbraw/zinc/55/90/48/576559048.db2.gz DUBRPZHXGJALDH-NSHDSACASA-N 1 0 271.744 1.915 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN2CCOCC2)cc1C ZINC000742367486 576597964 /nfs/dbraw/zinc/59/79/64/576597964.db2.gz WWXKRSQZTJAZLS-AWEZNQCLSA-N 1 0 278.396 1.819 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763465971 576738286 /nfs/dbraw/zinc/73/82/86/576738286.db2.gz DYCPHQOHAJFGKC-OAHLLOKOSA-N 1 0 279.380 1.968 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCSC1 ZINC000747622783 576877421 /nfs/dbraw/zinc/87/74/21/576877421.db2.gz XXWYXGILSMOYKP-CYBMUJFWSA-N 1 0 269.366 1.358 20 10 CDCDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(F)ccc1O ZINC000756537395 576994365 /nfs/dbraw/zinc/99/43/65/576994365.db2.gz YPZIZDFMQYYFHA-NEPJUHHUSA-N 1 0 282.359 1.903 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(F)ccc1O ZINC000756616002 576997497 /nfs/dbraw/zinc/99/74/97/576997497.db2.gz YILIXKAAEMIXSN-XPTSAGLGSA-N 1 0 279.315 1.649 20 10 CDCDRO C[C@H](CC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000820085924 598161561 /nfs/dbraw/zinc/16/15/61/598161561.db2.gz ZCVLLAFXMWJVKS-CYBMUJFWSA-N 1 0 291.395 1.391 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892478651 617407509 /nfs/dbraw/zinc/40/75/09/617407509.db2.gz NGJCXKHJJXOUDL-JTQLQIEISA-N 1 0 255.314 1.270 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1O ZINC000892091899 617476098 /nfs/dbraw/zinc/47/60/98/617476098.db2.gz INPRBNKSDBJZEV-DMDPSCGWSA-N 1 0 277.368 1.750 20 10 CDCDRO COCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000965971156 616604146 /nfs/dbraw/zinc/60/41/46/616604146.db2.gz CMYKSZGAICJXOP-CQSZACIVSA-N 1 0 292.379 1.341 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000894184544 618671105 /nfs/dbraw/zinc/67/11/05/618671105.db2.gz BBPBOWNJYKVZTP-PWSUYJOCSA-N 1 0 299.392 1.314 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccnn2C)cc1 ZINC000841044116 618678361 /nfs/dbraw/zinc/67/83/61/618678361.db2.gz TUPBMCHBRXKMLN-HNNXBMFYSA-N 1 0 273.384 1.276 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843129941 618694133 /nfs/dbraw/zinc/69/41/33/618694133.db2.gz VBENRVGXXFJTRZ-BDAKNGLRSA-N 1 0 283.328 1.524 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)CC2CC2)c1O ZINC000894358138 618818774 /nfs/dbraw/zinc/81/87/74/618818774.db2.gz CIBKQTSFWMCVRQ-CYBMUJFWSA-N 1 0 265.353 1.960 20 10 CDCDRO COc1ccc(C[NH+]2CC(C(C)(C)O)C2)c(O)c1OC ZINC000894830236 619081907 /nfs/dbraw/zinc/08/19/07/619081907.db2.gz HQZIIRXTUUAUOZ-UHFFFAOYSA-N 1 0 281.352 1.612 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1 ZINC000895118075 619309394 /nfs/dbraw/zinc/30/93/94/619309394.db2.gz ZDFHWBWIELYTMI-QJPTWQEYSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2CC3(C2)OCCO3)c1 ZINC000896911306 620302202 /nfs/dbraw/zinc/30/22/02/620302202.db2.gz AIFAHBNPNHNDBF-UHFFFAOYSA-N 1 0 279.336 1.644 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898202312 621358867 /nfs/dbraw/zinc/35/88/67/621358867.db2.gz HJMRICXIZHJHMU-AWEZNQCLSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@@H](Cn1cccn1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045176 621590322 /nfs/dbraw/zinc/59/03/22/621590322.db2.gz JAVQCRHSFDYDCT-BBRMVZONSA-N 1 0 287.411 1.627 20 10 CDCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC2)[NH+](C)C)cc1 ZINC000899102989 622046075 /nfs/dbraw/zinc/04/60/75/622046075.db2.gz UCXLBRRQSJNNGI-OAHLLOKOSA-N 1 0 290.411 1.771 20 10 CDCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2O)C1(C)C ZINC000157717924 630609662 /nfs/dbraw/zinc/60/96/62/630609662.db2.gz LBLPPLDHCHOFCT-CZUORRHYSA-N 1 0 292.379 1.541 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000153814325 631897045 /nfs/dbraw/zinc/89/70/45/631897045.db2.gz YXCROCYBKIDWGV-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000694587973 1159487040 /nfs/dbraw/zinc/48/70/40/1159487040.db2.gz FUFXVPZFIDHDMQ-HNNXBMFYSA-N 1 0 296.436 1.810 20 10 CDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1cccc(O)c1O ZINC001578754741 1171995042 /nfs/dbraw/zinc/99/50/42/1171995042.db2.gz YITDSOSAIXTMBS-NSHDSACASA-N 1 0 266.341 1.348 20 10 CDCDRO Cc1cc(O)c(CN2CCC23C[NH2+]C3)c(Cl)c1 ZINC001579638099 1172231493 /nfs/dbraw/zinc/23/14/93/1172231493.db2.gz RAMHVSUQXRYXSZ-UHFFFAOYSA-N 1 0 252.745 1.902 20 10 CDCDRO [NH3+][C@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC001580415073 1172427823 /nfs/dbraw/zinc/42/78/23/1172427823.db2.gz DPYPGTPEGIGHCU-HAQNSBGRSA-N 1 0 278.352 1.274 20 10 CDCDRO O=C(NCc1ccc(O)cc1O)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001580713598 1172521288 /nfs/dbraw/zinc/52/12/88/1172521288.db2.gz DHLBQYYBYVXFDV-GOEBONIOSA-N 1 0 290.363 1.636 20 10 CDCDRO CNC(=O)C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000105672516 1174705859 /nfs/dbraw/zinc/70/58/59/1174705859.db2.gz NITURCQTQSOXCQ-UHFFFAOYSA-N 1 0 258.321 1.723 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000794833461 1164627458 /nfs/dbraw/zinc/62/74/58/1164627458.db2.gz DSCRKWDPZLRXQX-WCABBAIRSA-N 1 0 269.316 1.677 20 10 CDCDRO O=C1CC[C@H]([NH2+]CCCSc2nccs2)CCN1 ZINC000873054696 837888927 /nfs/dbraw/zinc/88/89/27/837888927.db2.gz TXWRECKCGGJJEC-JTQLQIEISA-N 1 0 285.438 1.884 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CC1=O ZINC000816544423 837551952 /nfs/dbraw/zinc/55/19/52/837551952.db2.gz IDJQQASJBFJFCM-ZDUSSCGKSA-N 1 0 270.332 1.866 20 10 CDCDRO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000827964067 837701012 /nfs/dbraw/zinc/70/10/12/837701012.db2.gz VTWKRVDBLRZACT-CALCHBBNSA-N 1 0 290.407 1.523 20 10 CDCDRO CCc1cccc(CN(C)Cc2cn(C)nn2)c1O ZINC000827305502 837789591 /nfs/dbraw/zinc/78/95/91/837789591.db2.gz UDTIUFPABBDJBT-UHFFFAOYSA-N 1 0 260.341 1.715 20 10 CDCDRO Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)c(O)c1O ZINC000837239352 835808573 /nfs/dbraw/zinc/80/85/73/835808573.db2.gz QPJFLOLWQOVQNW-UHFFFAOYSA-N 1 0 266.341 1.476 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096186 835817300 /nfs/dbraw/zinc/81/73/00/835817300.db2.gz YREICVPBIFHDLJ-HNNXBMFYSA-N 1 0 262.353 1.160 20 10 CDCDRO CC(C)C(=O)NCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921484626 835833330 /nfs/dbraw/zinc/83/33/30/835833330.db2.gz RLIHMWOJNNZCDE-UHFFFAOYSA-N 1 0 276.380 1.873 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000050395130 835879556 /nfs/dbraw/zinc/87/95/56/835879556.db2.gz QMBKARQQPGIJMK-SMDDNHRTSA-N 1 0 261.369 1.682 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000877122084 835961868 /nfs/dbraw/zinc/96/18/68/835961868.db2.gz HNMOMZIMFBMPDS-UHFFFAOYSA-N 1 0 283.393 1.615 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c(O)c1 ZINC000877304779 835968467 /nfs/dbraw/zinc/96/84/67/835968467.db2.gz OETMHJRTQYJGKL-CYBMUJFWSA-N 1 0 283.393 1.758 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000312878494 836091286 /nfs/dbraw/zinc/09/12/86/836091286.db2.gz NIAJGWZEFSGWEQ-UHFFFAOYSA-N 1 0 280.324 1.125 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC000877474571 836125976 /nfs/dbraw/zinc/12/59/76/836125976.db2.gz BHNWJCHZKJBNGG-AWEZNQCLSA-N 1 0 283.368 1.204 20 10 CDCDRO COc1ccc(C[NH2+]CCC[S@@](C)=O)cc1C ZINC000134745582 836165732 /nfs/dbraw/zinc/16/57/32/836165732.db2.gz KMRVEMCUUWUPCK-KRWDZBQOSA-N 1 0 255.383 1.862 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000825311345 836172815 /nfs/dbraw/zinc/17/28/15/836172815.db2.gz JGIRINNXAGRSDM-WCQYABFASA-N 1 0 265.353 1.994 20 10 CDCDRO CN1CCCc2cc(CNC(=[NH2+])N3CCC3)ccc21 ZINC000848999021 836218505 /nfs/dbraw/zinc/21/85/05/836218505.db2.gz WQBINKVWXIDPKT-UHFFFAOYSA-N 1 0 258.369 1.799 20 10 CDCDRO COCCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000066371335 836218524 /nfs/dbraw/zinc/21/85/24/836218524.db2.gz GVWZIQVCBMPYBW-UHFFFAOYSA-N 1 0 253.298 1.589 20 10 CDCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000776812588 836256067 /nfs/dbraw/zinc/25/60/67/836256067.db2.gz LIPDTFILXYFFGE-ZBFHGGJFSA-N 1 0 295.379 1.611 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)N(C)C ZINC000824987799 836306420 /nfs/dbraw/zinc/30/64/20/836306420.db2.gz ATJWAFORZVDTMK-NSHDSACASA-N 1 0 253.365 1.931 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1 ZINC000839195443 836346258 /nfs/dbraw/zinc/34/62/58/836346258.db2.gz JLIFCWIFBOWCGV-ZDUSSCGKSA-N 1 0 261.369 1.368 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000168190892 836346467 /nfs/dbraw/zinc/34/64/67/836346467.db2.gz QUIQUUHYYHMTPB-ZUOKHONESA-N 1 0 296.436 1.380 20 10 CDCDRO CCS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000390313130 836488295 /nfs/dbraw/zinc/48/82/95/836488295.db2.gz CZDWLBUKYABFPC-GFCCVEGCSA-N 1 0 299.440 1.343 20 10 CDCDRO CCN(CC)c1ccc(CN(CC[NH3+])CCO)cc1 ZINC000841059233 836553398 /nfs/dbraw/zinc/55/33/98/836553398.db2.gz NTDWDIPWAOLBDE-UHFFFAOYSA-N 1 0 265.401 1.286 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+][C@H]3C[C@H](O)C3)cc2)CC1 ZINC000877640580 836584700 /nfs/dbraw/zinc/58/47/00/836584700.db2.gz AIEBIBADIQUPLY-SAZUREKKSA-N 1 0 276.380 1.261 20 10 CDCDRO COc1ccc(O)c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000793586196 836624296 /nfs/dbraw/zinc/62/42/96/836624296.db2.gz GQEATZZQLWNLOZ-STQMWFEESA-N 1 0 294.395 1.288 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(F)cc1[O-] ZINC000840825608 836649340 /nfs/dbraw/zinc/64/93/40/836649340.db2.gz HUGJVRSIIQRICP-NXEZZACHSA-N 1 0 266.316 1.708 20 10 CDCDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000397111180 836799340 /nfs/dbraw/zinc/79/93/40/836799340.db2.gz CHBFBHQIYJBRQO-AWEZNQCLSA-N 1 0 265.309 1.637 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C3([NH3+])CCCC3)ccc21 ZINC000237128016 836866273 /nfs/dbraw/zinc/86/62/73/836866273.db2.gz LEIKRIRMXPHWGV-UHFFFAOYSA-N 1 0 287.407 1.957 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000877142331 836882233 /nfs/dbraw/zinc/88/22/33/836882233.db2.gz RNYANHRVSZLQEB-ZDUSSCGKSA-N 1 0 293.363 1.712 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000858598507 836988491 /nfs/dbraw/zinc/98/84/91/836988491.db2.gz FKGJRQVNBYRSLM-BBRMVZONSA-N 1 0 277.412 1.470 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922273121 837000192 /nfs/dbraw/zinc/00/01/92/837000192.db2.gz SFQDCOGQMCTHJA-OAHLLOKOSA-N 1 0 274.364 1.722 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1=O ZINC000391479533 837062307 /nfs/dbraw/zinc/06/23/07/837062307.db2.gz MXMMDZQTWFLHFR-CYBMUJFWSA-N 1 0 262.353 1.714 20 10 CDCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1ccc(N)cc1 ZINC000844164423 837164962 /nfs/dbraw/zinc/16/49/62/837164962.db2.gz HTVRIAZBQIQVDD-STQMWFEESA-N 1 0 275.396 1.800 20 10 CDCDRO [NH2+]=C(NCc1ccccc1O)N1CCSCC1 ZINC000848984777 837200914 /nfs/dbraw/zinc/20/09/14/837200914.db2.gz BGUGMLMZOWWRGL-UHFFFAOYSA-N 1 0 251.355 1.465 20 10 CDCDRO COCCCNC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000839539355 837241110 /nfs/dbraw/zinc/24/11/10/837241110.db2.gz KZHZYGFUPRUKMJ-LLVKDONJSA-N 1 0 296.367 1.204 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858154950 837244725 /nfs/dbraw/zinc/24/47/25/837244725.db2.gz WNZIWQSGAWSKLS-NSHDSACASA-N 1 0 288.338 1.518 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000858301308 837267453 /nfs/dbraw/zinc/26/74/53/837267453.db2.gz VAKDSVKTHZKEJO-TZMCWYRMSA-N 1 0 267.325 1.030 20 10 CDCDRO [NH3+][C@@H](CC1CC1)C(=O)NCCCSc1nccs1 ZINC000884138076 837295111 /nfs/dbraw/zinc/29/51/11/837295111.db2.gz CUPMVFWDVOWZPD-JTQLQIEISA-N 1 0 285.438 1.869 20 10 CDCDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000269011200 837313334 /nfs/dbraw/zinc/31/33/34/837313334.db2.gz MXZOMBMMPKSTRY-KGLIPLIRSA-N 1 0 278.396 1.945 20 10 CDCDRO Cc1cccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827120750 837845123 /nfs/dbraw/zinc/84/51/23/837845123.db2.gz VOZVVKLDWZTUKW-OAHLLOKOSA-N 1 0 276.380 1.607 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843045633 837864742 /nfs/dbraw/zinc/86/47/42/837864742.db2.gz YKDIMLJAJDCAKD-NSHDSACASA-N 1 0 278.352 1.552 20 10 CDCDRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(O)c2O)n1 ZINC000188322533 837869117 /nfs/dbraw/zinc/86/91/17/837869117.db2.gz YPDZKGDMFQORNG-UHFFFAOYSA-N 1 0 290.323 1.108 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000870988710 837888344 /nfs/dbraw/zinc/88/83/44/837888344.db2.gz XNGDEOATOKECQJ-KGYLQXTDSA-N 1 0 262.353 1.958 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000825197376 837914071 /nfs/dbraw/zinc/91/40/71/837914071.db2.gz WHVMGVBWOCYQTK-TZMCWYRMSA-N 1 0 251.326 1.594 20 10 CDCDRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000886228639 837915682 /nfs/dbraw/zinc/91/56/82/837915682.db2.gz CMMUOXPCCUDZMB-CABCVRRESA-N 1 0 277.364 1.641 20 10 CDCDRO CO[C@@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282012 837976286 /nfs/dbraw/zinc/97/62/86/837976286.db2.gz XFWKUIQJBDQZAP-SMDDNHRTSA-N 1 0 279.384 1.294 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000848567205 838019361 /nfs/dbraw/zinc/01/93/61/838019361.db2.gz QTJDTICBEJNFHC-ZDUSSCGKSA-N 1 0 284.363 1.397 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCOCCO)c1 ZINC000186513929 838029513 /nfs/dbraw/zinc/02/95/13/838029513.db2.gz IWWYIGVRRNACIO-LBPRGKRZSA-N 1 0 253.342 1.750 20 10 CDCDRO Cc1ccc(O)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000132605770 838178719 /nfs/dbraw/zinc/17/87/19/838178719.db2.gz DHMACDULHZNZAU-BXUZGUMPSA-N 1 0 250.342 1.249 20 10 CDCDRO CCC[C@@](C)(CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000123082587 838210761 /nfs/dbraw/zinc/21/07/61/838210761.db2.gz PETGUQPADUQEDD-AWEZNQCLSA-N 1 0 267.325 1.762 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C(C)C)CC2)cc1 ZINC000037385963 838215064 /nfs/dbraw/zinc/21/50/64/838215064.db2.gz WIYRFWMBNNRUMJ-UHFFFAOYSA-N 1 0 291.395 1.342 20 10 CDCDRO CCC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000134555299 838723903 /nfs/dbraw/zinc/72/39/03/838723903.db2.gz UODHCCSBCQFOMI-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO CCO[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300116 838800521 /nfs/dbraw/zinc/80/05/21/838800521.db2.gz MHKUMRSDOCSVQZ-RISCZKNCSA-N 1 0 279.384 1.294 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000130956585 838857154 /nfs/dbraw/zinc/85/71/54/838857154.db2.gz PIBQNJTWKWXFQG-XTZNXHDOSA-N 1 0 271.382 1.600 20 10 CDCDRO CC[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000106381807 838864351 /nfs/dbraw/zinc/86/43/51/838864351.db2.gz ZWABYLCERMQRMV-INIZCTEOSA-N 1 0 278.396 1.726 20 10 CDCDRO [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818431575 838951462 /nfs/dbraw/zinc/95/14/62/838951462.db2.gz POVJBNWRYICIAE-IAGOWNOFSA-N 1 0 289.423 1.883 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000828667210 839009514 /nfs/dbraw/zinc/00/95/14/839009514.db2.gz OCQUQBNZVACNQN-JFGNBEQYSA-N 1 0 278.352 1.576 20 10 CDCDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941671 839021413 /nfs/dbraw/zinc/02/14/13/839021413.db2.gz NMPNCIBSNUNSLC-BBRMVZONSA-N 1 0 296.411 1.255 20 10 CDCDRO CN(CC[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000841760637 839026159 /nfs/dbraw/zinc/02/61/59/839026159.db2.gz WVQYUDPNRKDUFE-UHFFFAOYSA-N 1 0 276.384 1.169 20 10 CDCDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000839147785 839268742 /nfs/dbraw/zinc/26/87/42/839268742.db2.gz RHGJGHPPDOLLAZ-PHIMTYICSA-N 1 0 265.309 1.778 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)C[NH3+])cc1 ZINC000846173798 839272633 /nfs/dbraw/zinc/27/26/33/839272633.db2.gz UAMGDRXDWXRTOM-GFCCVEGCSA-N 1 0 294.399 1.120 20 10 CDCDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccccc2O)C1 ZINC000838059467 839282571 /nfs/dbraw/zinc/28/25/71/839282571.db2.gz BJPDMWMZBGCOMR-CYBMUJFWSA-N 1 0 291.395 1.923 20 10 CDCDRO COc1cccc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000226338766 839291662 /nfs/dbraw/zinc/29/16/62/839291662.db2.gz BILZQOTXMNOBLR-YPMHNXCESA-N 1 0 264.369 1.960 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]CC1(O)CCOCC1 ZINC000112717359 839303037 /nfs/dbraw/zinc/30/30/37/839303037.db2.gz DXIYUACUXUTAKU-UHFFFAOYSA-N 1 0 271.744 1.677 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1O ZINC000857061088 839377155 /nfs/dbraw/zinc/37/71/55/839377155.db2.gz JMZVIMAIWYSTDM-WCQYABFASA-N 1 0 265.353 1.851 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000841937472 839624834 /nfs/dbraw/zinc/62/48/34/839624834.db2.gz SSHDMWVZDJJEPK-CQSZACIVSA-N 1 0 290.411 1.646 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1Cn1cccn1 ZINC000873134336 839743085 /nfs/dbraw/zinc/74/30/85/839743085.db2.gz PGJXIUMUCULLPI-HUUCEWRRSA-N 1 0 287.363 1.553 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(C(C)(C)CO)CC2)c1O ZINC000775703518 839816396 /nfs/dbraw/zinc/81/63/96/839816396.db2.gz ROEBIXQVPQRVLT-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1 ZINC000886229888 839915908 /nfs/dbraw/zinc/91/59/08/839915908.db2.gz XJYKWPMZWXQLJW-KBPBESRZSA-N 1 0 295.379 1.811 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000835060766 839965093 /nfs/dbraw/zinc/96/50/93/839965093.db2.gz NDSUXOSDJSETKQ-CQSZACIVSA-N 1 0 264.325 1.159 20 10 CDCDRO C[NH+]1CCN(CCC[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000882881105 840013290 /nfs/dbraw/zinc/01/32/90/840013290.db2.gz YFMLSMOTUJAHNH-UHFFFAOYSA-N 1 0 299.365 1.398 20 10 CDCDRO CS(=O)(=O)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310759315 840037898 /nfs/dbraw/zinc/03/78/98/840037898.db2.gz AOCZLJDDOAWTMI-LLVKDONJSA-N 1 0 269.366 1.404 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(C)cc1O ZINC000858601632 840045205 /nfs/dbraw/zinc/04/52/05/840045205.db2.gz HOZNUQBHTBQOQK-ZFWWWQNUSA-N 1 0 278.396 1.808 20 10 CDCDRO CC[C@@]1(C(=O)NCc2ccc(OC)cc2O)CCC[NH2+]1 ZINC000843500005 840101599 /nfs/dbraw/zinc/10/15/99/840101599.db2.gz QAPFJZFCHMRGFD-HNNXBMFYSA-N 1 0 278.352 1.549 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000934936270 840101991 /nfs/dbraw/zinc/10/19/91/840101991.db2.gz QQARCTAKCHDIOB-ZDUSSCGKSA-N 1 0 262.353 1.881 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000835060502 840358478 /nfs/dbraw/zinc/35/84/78/840358478.db2.gz FIJFXPQGEPBSEB-OAHLLOKOSA-N 1 0 261.369 1.511 20 10 CDCDRO COc1cc(O)c(CN(C)Cc2cn(C)nn2)cc1OC ZINC000853568395 840495075 /nfs/dbraw/zinc/49/50/75/840495075.db2.gz UJUHYTYDWCOFBY-UHFFFAOYSA-N 1 0 292.339 1.170 20 10 CDCDRO COc1cc(O)c(C[NH2+]Cc2cncn2C)cc1OC ZINC000291656078 840772705 /nfs/dbraw/zinc/77/27/05/840772705.db2.gz UZAFNMYUOBFAKD-UHFFFAOYSA-N 1 0 277.324 1.433 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000078639424 840800082 /nfs/dbraw/zinc/80/00/82/840800082.db2.gz RLPNUABKWKGPPY-MRVPVSSYSA-N 1 0 277.773 1.568 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCOC3)C2)cc1 ZINC000818219777 840808062 /nfs/dbraw/zinc/80/80/62/840808062.db2.gz DGZXJCQLYDVTIG-KGLIPLIRSA-N 1 0 276.380 1.900 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)cc1 ZINC000305115042 840864117 /nfs/dbraw/zinc/86/41/17/840864117.db2.gz HOWWSFCEDZKQQC-CJNGLKHVSA-N 1 0 279.428 1.716 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(N(C)C)CCC1 ZINC000782535099 841009533 /nfs/dbraw/zinc/00/95/33/841009533.db2.gz BCXZUXDHIMBEAF-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1ccc(C)cc1O ZINC000877399316 841027809 /nfs/dbraw/zinc/02/78/09/841027809.db2.gz MUIDARUZADQQEA-UHFFFAOYSA-N 1 0 252.358 1.104 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000848913361 841031642 /nfs/dbraw/zinc/03/16/42/841031642.db2.gz UZIRFQQRVTXSEN-GFCCVEGCSA-N 1 0 297.420 1.821 20 10 CDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1O ZINC000834897949 841086377 /nfs/dbraw/zinc/08/63/77/841086377.db2.gz XQWMCYULRDQGQX-XXILOJSOSA-N 1 0 271.744 1.764 20 10 CDCDRO COc1cc(O)c(CNC[C@@H]2CCC[NH2+]2)cc1OC ZINC000841035801 841088655 /nfs/dbraw/zinc/08/86/55/841088655.db2.gz MOMUCUUDEIGDSE-NSHDSACASA-N 1 0 266.341 1.251 20 10 CDCDRO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180227491 841112310 /nfs/dbraw/zinc/11/23/10/841112310.db2.gz LIFHYZRUKWZYNF-SNVBAGLBSA-N 1 0 266.316 1.619 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(C)cc1O ZINC000866497635 841135936 /nfs/dbraw/zinc/13/59/36/841135936.db2.gz OCANOKBVDFDXFE-BFHYXJOUSA-N 1 0 265.353 1.891 20 10 CDCDRO C[NH+](C)CCn1nccc1NC(=O)c1cccc(O)c1O ZINC000818937211 841278023 /nfs/dbraw/zinc/27/80/23/841278023.db2.gz GCDLKTPYEZOTSB-UHFFFAOYSA-N 1 0 290.323 1.108 20 10 CDCDRO COc1c(O)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843120116 841364469 /nfs/dbraw/zinc/36/44/69/841364469.db2.gz XXRHEOWOUKMDCQ-UWVGGRQHSA-N 1 0 295.339 1.491 20 10 CDCDRO [NH3+][C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843044071 841395316 /nfs/dbraw/zinc/39/53/16/841395316.db2.gz RYSAYUWSEUSZHO-JTQLQIEISA-N 1 0 250.298 1.044 20 10 CDCDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)C2CC2)c(O)c1 ZINC000809752178 841490935 /nfs/dbraw/zinc/49/09/35/841490935.db2.gz OUZRXDFAEWBTHA-OAHLLOKOSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(O)c1O ZINC000817679121 841566356 /nfs/dbraw/zinc/56/63/56/841566356.db2.gz RCSFOWIEVXEBDL-NSHDSACASA-N 1 0 278.352 1.572 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007140 841576490 /nfs/dbraw/zinc/57/64/90/841576490.db2.gz IAFIVZPWWKRMCS-HNNXBMFYSA-N 1 0 289.379 1.801 20 10 CDCDRO CC[C@@]1(O)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000779215568 841587042 /nfs/dbraw/zinc/58/70/42/841587042.db2.gz CIGFKFKRVNQOOU-OAHLLOKOSA-N 1 0 281.352 1.756 20 10 CDCDRO CC(=O)N1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876898353 841621412 /nfs/dbraw/zinc/62/14/12/841621412.db2.gz LRDQHDFQNIDJMK-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1O ZINC000312049303 841641819 /nfs/dbraw/zinc/64/18/19/841641819.db2.gz WMBICONETCZDRN-MWLCHTKSSA-N 1 0 264.325 1.262 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000858547314 841652512 /nfs/dbraw/zinc/65/25/12/841652512.db2.gz FRCKROOACIRWLX-ZYHUDNBSSA-N 1 0 284.787 1.763 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1O ZINC000824707936 841666417 /nfs/dbraw/zinc/66/64/17/841666417.db2.gz BSVDOEPSPAEGPS-BXUZGUMPSA-N 1 0 281.352 1.542 20 10 CDCDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902818 841771125 /nfs/dbraw/zinc/77/11/25/841771125.db2.gz YPSYGLDCYOZKNQ-HIFRSBDPSA-N 1 0 290.363 1.005 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+][C@H](C)[C@H]2C)c1O ZINC000379444583 841776463 /nfs/dbraw/zinc/77/64/63/841776463.db2.gz VVMCGSFGAZULPT-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000846146642 841800175 /nfs/dbraw/zinc/80/01/75/841800175.db2.gz RTLRMCAUKUKLPZ-CHWSQXEVSA-N 1 0 293.411 1.297 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](C)O ZINC000387397257 841821527 /nfs/dbraw/zinc/82/15/27/841821527.db2.gz KXCHLWAOLQNJJK-SCZZXKLOSA-N 1 0 253.298 1.370 20 10 CDCDRO CC[NH2+]CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818613673 841831244 /nfs/dbraw/zinc/83/12/44/841831244.db2.gz XEWYKFAAVUFTPJ-CYBMUJFWSA-N 1 0 291.395 1.247 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000710938911 841864140 /nfs/dbraw/zinc/86/41/40/841864140.db2.gz GKJORKOZWMJERY-KCPJHIHWSA-N 1 0 264.369 1.553 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000720939115 841865032 /nfs/dbraw/zinc/86/50/32/841865032.db2.gz HIGWFMFFYNCVDC-MXWKQRLJSA-N 1 0 251.326 1.822 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841079687 841897814 /nfs/dbraw/zinc/89/78/14/841897814.db2.gz PAJMGUDNOBDOON-KBPBESRZSA-N 1 0 265.376 1.851 20 10 CDCDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843048145 841898678 /nfs/dbraw/zinc/89/86/78/841898678.db2.gz PMCYEFJMKRXAJY-CQSZACIVSA-N 1 0 275.396 1.317 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000382570593 841930445 /nfs/dbraw/zinc/93/04/45/841930445.db2.gz QVZOPCDYCOEEDO-IUODEOHRSA-N 1 0 266.385 1.801 20 10 CDCDRO O=S1(=O)CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000037363110 841951824 /nfs/dbraw/zinc/95/18/24/841951824.db2.gz ZOJIULAFYSEPPC-UHFFFAOYSA-N 1 0 281.377 1.288 20 10 CDCDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(OC)cc1O ZINC000841957380 841980221 /nfs/dbraw/zinc/98/02/21/841980221.db2.gz IUAOMHCUOQLEMC-GFCCVEGCSA-N 1 0 295.383 1.718 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCNC(C)=O)c1 ZINC000843427094 842026854 /nfs/dbraw/zinc/02/68/54/842026854.db2.gz GZVGEVRKGOXDPJ-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000069143155 842039027 /nfs/dbraw/zinc/03/90/27/842039027.db2.gz QHNDKDJAPXPWLO-NSHDSACASA-N 1 0 285.365 1.068 20 10 CDCDRO CN(CCC[NH3+])C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832761 842082984 /nfs/dbraw/zinc/08/29/84/842082984.db2.gz SGUPROTVIHQCMO-UHFFFAOYSA-N 1 0 288.395 1.553 20 10 CDCDRO C[C@]1(C[NH2+]Cc2c(O)cccc2Cl)CCC(=O)N1 ZINC000835059565 842279386 /nfs/dbraw/zinc/27/93/86/842279386.db2.gz BYEJWZLQQVNZRS-CYBMUJFWSA-N 1 0 268.744 1.804 20 10 CDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(O)c1O ZINC000126473970 842350807 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842672278 /nfs/dbraw/zinc/67/22/78/842672278.db2.gz SQLPJKPZFCKURT-ZDUSSCGKSA-N 1 0 250.342 1.332 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000305762961 842693484 /nfs/dbraw/zinc/69/34/84/842693484.db2.gz DCQWXNVQWXQKKX-ZDUSSCGKSA-N 1 0 263.293 1.817 20 10 CDCDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCCN1 ZINC000877612905 842769841 /nfs/dbraw/zinc/76/98/41/842769841.db2.gz QJPXVHNZVZLABQ-LLVKDONJSA-N 1 0 268.744 1.804 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000825017205 842803521 /nfs/dbraw/zinc/80/35/21/842803521.db2.gz OMECLBIGJQIAQN-VXGBXAGGSA-N 1 0 257.717 1.237 20 10 CDCDRO NC(=O)CC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922192105 842829228 /nfs/dbraw/zinc/82/92/28/842829228.db2.gz OYTVRPANHCEJGW-UHFFFAOYSA-N 1 0 274.364 1.757 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH3+] ZINC000841921082 842852705 /nfs/dbraw/zinc/85/27/05/842852705.db2.gz MPVWAROADMIKMF-UHFFFAOYSA-N 1 0 264.373 1.243 20 10 CDCDRO CCC[N@H+](CC(=O)NC(=O)NCC)Cc1ccccc1O ZINC000130718982 842873492 /nfs/dbraw/zinc/87/34/92/842873492.db2.gz GRVFAXGCCQSILW-UHFFFAOYSA-N 1 0 293.367 1.450 20 10 CDCDRO Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)c(O)c1O ZINC000182380541 842902292 /nfs/dbraw/zinc/90/22/92/842902292.db2.gz BDFHVNDVYAQXGA-UHFFFAOYSA-N 1 0 292.379 1.820 20 10 CDCDRO NC(=O)c1csc(C[NH2+]Cc2ccc(N)cc2)c1 ZINC001580107843 1167710516 /nfs/dbraw/zinc/71/05/16/1167710516.db2.gz RSNCLSMWMCIUNZ-UHFFFAOYSA-N 1 0 261.350 1.719 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1O ZINC001140178668 895200719 /nfs/dbraw/zinc/20/07/19/895200719.db2.gz TXRRMCVIOYIRPZ-OCCSQVGLSA-N 1 0 265.353 1.184 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c1O ZINC001140741796 898157985 /nfs/dbraw/zinc/15/79/85/898157985.db2.gz CEIOSEURBYJPIF-MFKMUULPSA-N 1 0 265.353 1.999 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001236284178 914853943 /nfs/dbraw/zinc/85/39/43/914853943.db2.gz BAUHWZQBTLGMNL-GXSJLCMTSA-N 1 0 268.744 1.458 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC001142520440 908845300 /nfs/dbraw/zinc/84/53/00/908845300.db2.gz JPWARIDDCAHAOV-LLVKDONJSA-N 1 0 268.307 1.950 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206140425 910819888 /nfs/dbraw/zinc/81/98/88/910819888.db2.gz YDAYSMLAQOYEEV-LLVKDONJSA-N 1 0 285.338 1.627 20 10 CDCDRO CCOCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172407297 911634155 /nfs/dbraw/zinc/63/41/55/911634155.db2.gz VRJSAKSWHYLOHZ-QMTHXVAHSA-N 1 0 269.341 1.536 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001172596311 911763763 /nfs/dbraw/zinc/76/37/63/911763763.db2.gz YHPOKJIHOQPAEH-CHWSQXEVSA-N 1 0 293.363 1.962 20 10 CDCDRO CCOc1cccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1O ZINC001206404580 916057839 /nfs/dbraw/zinc/05/78/39/916057839.db2.gz MIQZLTFZELPQME-VXGBXAGGSA-N 1 0 268.332 1.662 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1OC ZINC001206445233 916923024 /nfs/dbraw/zinc/92/30/24/916923024.db2.gz NXTNVCMKCXTGRF-GHMZBOCLSA-N 1 0 284.331 1.281 20 10 CDCDRO CCCOCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124449214 917369596 /nfs/dbraw/zinc/36/95/96/917369596.db2.gz ACRYMAVESSQQNQ-UHFFFAOYSA-N 1 0 294.395 1.636 20 10 CDCDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001254938253 936470382 /nfs/dbraw/zinc/47/03/82/936470382.db2.gz YQAMGJZHZQFVNM-GDNZZTSVSA-N 1 0 261.321 1.945 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)ccc21 ZINC001138354822 936525068 /nfs/dbraw/zinc/52/50/68/936525068.db2.gz WDMJZEMKKQOSBP-RDJZCZTQSA-N 1 0 290.407 1.244 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3C[C@H](F)C[C@H]3CO)ccc21 ZINC001138354787 936525517 /nfs/dbraw/zinc/52/55/17/936525517.db2.gz UWSQLMROJDPIQI-CABCVRRESA-N 1 0 278.371 1.974 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C2(CO)CCOCC2)c1O ZINC000827907693 936613567 /nfs/dbraw/zinc/61/35/67/936613567.db2.gz GSDWRQYHYWOEQT-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO COCCn1cc(C[N@@H+]2CCc3cccc(O)c3C2)cn1 ZINC001139782115 936646981 /nfs/dbraw/zinc/64/69/81/936646981.db2.gz XPGHUXFARZRZMC-UHFFFAOYSA-N 1 0 287.363 1.793 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001140057800 936675266 /nfs/dbraw/zinc/67/52/66/936675266.db2.gz MYYVFNIXBDPYJC-UHFFFAOYSA-N 1 0 282.315 1.805 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c1O ZINC001140180052 936684324 /nfs/dbraw/zinc/68/43/24/936684324.db2.gz HXMHVERNHWCDSB-MRXNPFEDSA-N 1 0 274.364 1.721 20 10 CDCDRO Cc1cc(N2CCOCC2)ccc1CC[NH+]1CCOCC1 ZINC001250276824 921036082 /nfs/dbraw/zinc/03/60/82/921036082.db2.gz QBEKPEAJOYLCJK-UHFFFAOYSA-N 1 0 290.407 1.706 20 10 CDCDRO C[C@@]1(CO)C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1O ZINC001140337989 936703130 /nfs/dbraw/zinc/70/31/30/936703130.db2.gz PYSJLTHPPKDJPQ-KBPBESRZSA-N 1 0 285.771 1.611 20 10 CDCDRO Cc1ccc(O)c(C[N@H+](C)CCC2OCCO2)c1 ZINC001140623588 936732169 /nfs/dbraw/zinc/73/21/69/936732169.db2.gz XEEHXYSHSQPRQG-UHFFFAOYSA-N 1 0 251.326 1.895 20 10 CDCDRO Cc1c(O)ccc(CN(C)CCC[NH+](C)C)c1O ZINC001140742775 936748585 /nfs/dbraw/zinc/74/85/85/936748585.db2.gz YRKKJERJVBZQJG-UHFFFAOYSA-N 1 0 252.358 1.790 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC001140745285 936749055 /nfs/dbraw/zinc/74/90/55/936749055.db2.gz CZOSDNPVVCHNQC-NSHDSACASA-N 1 0 264.325 1.246 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140751507 936750130 /nfs/dbraw/zinc/75/01/30/936750130.db2.gz ZOMCIQHARCSKQK-LBPRGKRZSA-N 1 0 295.335 1.170 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCCO1 ZINC001140749954 936750171 /nfs/dbraw/zinc/75/01/71/936750171.db2.gz PIGDSTJWZJZBOO-CYBMUJFWSA-N 1 0 295.335 1.170 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c(O)c1 ZINC001140957661 936784163 /nfs/dbraw/zinc/78/41/63/936784163.db2.gz HOILYKWQQFWCLY-UHFFFAOYSA-N 1 0 290.363 1.182 20 10 CDCDRO CN1CC2(C1)CC[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141145390 936820438 /nfs/dbraw/zinc/82/04/38/936820438.db2.gz VLJOFGSBHNTILV-UHFFFAOYSA-N 1 0 287.407 1.653 20 10 CDCDRO Oc1ccc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001141159075 936822329 /nfs/dbraw/zinc/82/23/29/936822329.db2.gz XZJQJUBTQPIPBN-CYBMUJFWSA-N 1 0 262.353 1.768 20 10 CDCDRO O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001141161160 936822668 /nfs/dbraw/zinc/82/26/68/936822668.db2.gz NDDMWGOTEDQZLN-UHFFFAOYSA-N 1 0 286.331 1.799 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205806933 925168323 /nfs/dbraw/zinc/16/83/23/925168323.db2.gz WPFBDICLZQNVPQ-YPMHNXCESA-N 1 0 264.369 1.960 20 10 CDCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)C(C)C)c1O ZINC000691450334 928875147 /nfs/dbraw/zinc/87/51/47/928875147.db2.gz HIPUCQGXKVRYFD-UHFFFAOYSA-N 1 0 285.409 1.867 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)COC)c1O ZINC000691522473 929145527 /nfs/dbraw/zinc/14/55/27/929145527.db2.gz LRNDCCGJGWJFMI-CQSZACIVSA-N 1 0 253.342 1.442 20 10 CDCDRO CN(c1ccc(Cn2cncn2)cc1)C(C)(C)C[NH3+] ZINC001170059119 929229944 /nfs/dbraw/zinc/22/99/44/929229944.db2.gz MPFJJXQRWUZMIR-UHFFFAOYSA-N 1 0 259.357 1.500 20 10 CDCDRO CN(c1ccc2c(c1)[C@H](O)CCO2)C(C)(C)C[NH3+] ZINC001170059873 929247217 /nfs/dbraw/zinc/24/72/17/929247217.db2.gz WNPXDGPRNDPKRV-GFCCVEGCSA-N 1 0 250.342 1.676 20 10 CDCDRO CO[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499488 931857922 /nfs/dbraw/zinc/85/79/22/931857922.db2.gz GVZAXGIXMKURBF-JTQLQIEISA-N 1 0 253.298 1.414 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001144503864 931864306 /nfs/dbraw/zinc/86/43/06/931864306.db2.gz GIJBHRWNRGWWPN-VIFPVBQESA-N 1 0 253.298 1.150 20 10 CDCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(O)cc(O)cc2O)C1 ZINC001144516205 931881354 /nfs/dbraw/zinc/88/13/54/931881354.db2.gz SZUVQHZJNZMTFB-LLVKDONJSA-N 1 0 294.351 1.246 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000846170045 931984163 /nfs/dbraw/zinc/98/41/63/931984163.db2.gz VDJXIBUASCTJOY-WDEREUQCSA-N 1 0 278.352 1.578 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[N@H+](C)C3)cc1 ZINC001275833299 932076611 /nfs/dbraw/zinc/07/66/11/932076611.db2.gz GNQIULIGMAXDIN-ZBFHGGJFSA-N 1 0 259.397 1.889 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)c(OC)c1 ZINC001276194309 932627228 /nfs/dbraw/zinc/62/72/28/932627228.db2.gz TTXUMPPAOGKLBH-KBPBESRZSA-N 1 0 292.379 1.688 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118859292 937672857 /nfs/dbraw/zinc/67/28/57/937672857.db2.gz HEMZTAUWJNGBEL-SNVBAGLBSA-N 1 0 274.311 1.128 20 10 CDCDRO CCOC(=O)c1cc(C[NH2+]Cc2cc(C)ccc2O)[nH]n1 ZINC001118884357 937674915 /nfs/dbraw/zinc/67/49/15/937674915.db2.gz GGZXGXJDAFFLRN-UHFFFAOYSA-N 1 0 289.335 1.890 20 10 CDCDRO OCC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000779202583 934475200 /nfs/dbraw/zinc/47/52/00/934475200.db2.gz OULRDVWVIIYROZ-NSHDSACASA-N 1 0 265.309 1.468 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198988 938593701 /nfs/dbraw/zinc/59/37/01/938593701.db2.gz KVJNUUHSWIVQSV-VOBIIGJTSA-N 1 0 274.320 1.074 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(N(CC[NH3+])CCO)cc1 ZINC001163831776 939338514 /nfs/dbraw/zinc/33/85/14/939338514.db2.gz GXBBUUBICKVXCW-UHFFFAOYSA-N 1 0 273.380 1.852 20 10 CDCDRO CN1CCc2c(c([N+](=O)[O-])ccc2N2CC[C@@H]([NH3+])C2)C1 ZINC001164286085 939446902 /nfs/dbraw/zinc/44/69/02/939446902.db2.gz FCFRAKRTAZAKDA-SNVBAGLBSA-N 1 0 276.340 1.120 20 10 CDCDRO COc1cccc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c1O ZINC001203596587 939695610 /nfs/dbraw/zinc/69/56/10/939695610.db2.gz KKETXMVQEKROOG-CYBMUJFWSA-N 1 0 292.379 1.306 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001203620803 939697382 /nfs/dbraw/zinc/69/73/82/939697382.db2.gz IYQBWBJCYBAKCY-MNOVXSKESA-N 1 0 255.289 1.306 20 10 CDCDRO COc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC001203628047 939697846 /nfs/dbraw/zinc/69/78/46/939697846.db2.gz WPLNJZKIMWLCNM-UHFFFAOYSA-N 1 0 264.325 1.065 20 10 CDCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001203878855 939711143 /nfs/dbraw/zinc/71/11/43/939711143.db2.gz DUDWJVDVXKTYRS-IUODEOHRSA-N 1 0 262.353 1.481 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)cc1 ZINC001203930758 939714788 /nfs/dbraw/zinc/71/47/88/939714788.db2.gz HRJPNHONQFPIPZ-JKSUJKDBSA-N 1 0 278.396 1.318 20 10 CDCDRO Oc1ccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC001204272277 939750069 /nfs/dbraw/zinc/75/00/69/939750069.db2.gz LUKYJEPGNVNEMR-ZDUSSCGKSA-N 1 0 278.352 1.004 20 10 CDCDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(O)cc3O)C2)n1 ZINC001204280669 939752444 /nfs/dbraw/zinc/75/24/44/939752444.db2.gz LWMGFAGONZRQFY-LLVKDONJSA-N 1 0 275.308 1.779 20 10 CDCDRO CC(=O)N1CCC([N@H+](C)Cc2ccc(O)cc2O)CC1 ZINC001204279479 939752475 /nfs/dbraw/zinc/75/24/75/939752475.db2.gz ZKMNXFYAKPKILZ-UHFFFAOYSA-N 1 0 278.352 1.541 20 10 CDCDRO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204279081 939752612 /nfs/dbraw/zinc/75/26/12/939752612.db2.gz PUNZGOGGRQBNER-ZDUSSCGKSA-N 1 0 251.326 1.955 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204283012 939752716 /nfs/dbraw/zinc/75/27/16/939752716.db2.gz WHKPFHMUZKQFNA-NSHDSACASA-N 1 0 279.336 1.873 20 10 CDCDRO C[C@]1([NH3+])CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205281669 939876257 /nfs/dbraw/zinc/87/62/57/939876257.db2.gz XMZBEPFLUDUXKB-HNNXBMFYSA-N 1 0 278.352 1.794 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2cc(F)ccc2O)CC(F)(F)C1 ZINC001206131820 939984196 /nfs/dbraw/zinc/98/41/96/939984196.db2.gz JZMWWVVKUIMESW-JTQLQIEISA-N 1 0 260.259 1.700 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1O ZINC001206534723 940055193 /nfs/dbraw/zinc/05/51/93/940055193.db2.gz BBEPTMHZVSMPTN-CABZTGNLSA-N 1 0 290.285 1.162 20 10 CDCDRO CC1(C[NH3+])CN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001206723996 940081999 /nfs/dbraw/zinc/08/19/99/940081999.db2.gz YSRCGCSGTHDTCK-UHFFFAOYSA-N 1 0 293.386 1.443 20 10 CDCDRO CCOC(=O)CC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209037032 940428751 /nfs/dbraw/zinc/42/87/51/940428751.db2.gz UEDXQBKMFIRHCG-UHFFFAOYSA-N 1 0 279.336 1.799 20 10 CDCDRO C[C@H]1C[NH2+]C[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC001219653216 941370732 /nfs/dbraw/zinc/37/07/32/941370732.db2.gz BJFOAVDWOZNOAZ-DGCLKSJQSA-N 1 0 261.369 1.173 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001220167082 941419575 /nfs/dbraw/zinc/41/95/75/941419575.db2.gz KFGJFHUVSZLABZ-WBVHZDCISA-N 1 0 287.407 1.850 20 10 CDCDRO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001276958341 941730658 /nfs/dbraw/zinc/73/06/58/941730658.db2.gz LIICENQAQNKRHI-PBHICJAKSA-N 1 0 287.407 1.805 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001277191753 942154588 /nfs/dbraw/zinc/15/45/88/942154588.db2.gz GQQMSHPVHRDKBZ-LBPRGKRZSA-N 1 0 276.336 1.008 20 10 CDCDRO CCN(CC[NH+](C)C)Cc1cc(OC)c(O)cc1O ZINC001231633872 942949632 /nfs/dbraw/zinc/94/96/32/942949632.db2.gz BMJYYQAVMFWYEU-UHFFFAOYSA-N 1 0 268.357 1.490 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001231843256 943026438 /nfs/dbraw/zinc/02/64/38/943026438.db2.gz UCTAGQHCLLCDCJ-GFCCVEGCSA-N 1 0 251.326 1.202 20 10 CDCDRO COc1cc(N(C)C)ccc1C[NH+]1CC(C(=O)N(C)C)C1 ZINC001231853497 943031541 /nfs/dbraw/zinc/03/15/41/943031541.db2.gz LCFYEMDQDJQHQT-UHFFFAOYSA-N 1 0 291.395 1.281 20 10 CDCDRO C[N@H+](Cc1cc(Cl)c(O)cc1O)[C@H]1CCOC1 ZINC001232265009 943194028 /nfs/dbraw/zinc/19/40/28/943194028.db2.gz NDUSCLMCLHEZIT-VIFPVBQESA-N 1 0 257.717 1.972 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CC[C@@H]1O ZINC001232836637 943414124 /nfs/dbraw/zinc/41/41/24/943414124.db2.gz SDWWKWPZFQSRFG-RISCZKNCSA-N 1 0 264.369 1.661 20 10 CDCDRO COC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232835348 943414721 /nfs/dbraw/zinc/41/47/21/943414721.db2.gz BAIXMNMDEHQSME-UHFFFAOYSA-N 1 0 292.379 1.843 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841797 943417287 /nfs/dbraw/zinc/41/72/87/943417287.db2.gz SHHCQQNPGQSQDV-INIZCTEOSA-N 1 0 292.379 1.843 20 10 CDCDRO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001233451872 943588050 /nfs/dbraw/zinc/58/80/50/943588050.db2.gz CFAUWNPWLJKOAD-NSHDSACASA-N 1 0 291.269 1.604 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482884 943591050 /nfs/dbraw/zinc/59/10/50/943591050.db2.gz GATVMQFFCPHDML-SNVBAGLBSA-N 1 0 267.325 1.398 20 10 CDCDRO OCC[N@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233482663 943591099 /nfs/dbraw/zinc/59/10/99/943591099.db2.gz XOIGPBWYIRCYPU-UHFFFAOYSA-N 1 0 289.331 1.798 20 10 CDCDRO Oc1cc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC001233484980 943592807 /nfs/dbraw/zinc/59/28/07/943592807.db2.gz DVSCJUFOBMHTMO-LLVKDONJSA-N 1 0 264.325 1.083 20 10 CDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485930 943593628 /nfs/dbraw/zinc/59/36/28/943593628.db2.gz QLWFPBSRNSYAFN-WPRPVWTQSA-N 1 0 253.298 1.149 20 10 CDCDRO Cc1noc([C@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233486708 943595211 /nfs/dbraw/zinc/59/52/11/943595211.db2.gz YOPVHWLCAQJGDT-VIFPVBQESA-N 1 0 291.307 1.484 20 10 CDCDRO C[NH2+]C1CC(C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001263103236 943745622 /nfs/dbraw/zinc/74/56/22/943745622.db2.gz SXIRAZOGHGWYKY-UHFFFAOYSA-N 1 0 289.379 1.476 20 10 CDCDRO COc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c(OC)c1 ZINC001235049560 944022388 /nfs/dbraw/zinc/02/23/88/944022388.db2.gz XILYQCSGWMJBDF-QWHCGFSZSA-N 1 0 278.352 1.346 20 10 CDCDRO CCOc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235049580 944023219 /nfs/dbraw/zinc/02/32/19/944023219.db2.gz YJSSSUWNEMSZTC-UONOGXRCSA-N 1 0 262.353 1.727 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[NH2+]1 ZINC000384758392 944042158 /nfs/dbraw/zinc/04/21/58/944042158.db2.gz UKRJPTKJTWIRHL-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO CCc1ccc(CN2CCn3cnc(CO)c3C2)c(O)c1 ZINC001235506862 944178377 /nfs/dbraw/zinc/17/83/77/944178377.db2.gz ACTAYVCHUISSPV-UHFFFAOYSA-N 1 0 287.363 1.659 20 10 CDCDRO CN1CCCc2cc(CN3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235981370 944344243 /nfs/dbraw/zinc/34/42/43/944344243.db2.gz QFGOTTPDZBABEY-NVXWUHKLSA-N 1 0 271.408 1.992 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236022814 944378397 /nfs/dbraw/zinc/37/83/97/944378397.db2.gz DUADRSSWAIUZGH-CZUORRHYSA-N 1 0 275.396 1.771 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001236029614 944383431 /nfs/dbraw/zinc/38/34/31/944383431.db2.gz UILDQSJKVYIEAA-BXKDBHETSA-N 1 0 272.270 1.944 20 10 CDCDRO COc1cc(CN(C)C[C@@H]2CCC[NH2+]2)c(O)cc1O ZINC001236120704 944409220 /nfs/dbraw/zinc/40/92/20/944409220.db2.gz VNPCQOCHXBNGOO-NSHDSACASA-N 1 0 266.341 1.290 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(C)cc(C)cc1O ZINC001236202504 944430053 /nfs/dbraw/zinc/43/00/53/944430053.db2.gz USKADIWTGZUFRC-AAEUAGOBSA-N 1 0 278.352 1.084 20 10 CDCDRO CN1CCOc2cc(CN3CCC[C@@H]3C[NH3+])ccc21 ZINC001236246724 944437007 /nfs/dbraw/zinc/43/70/07/944437007.db2.gz IKPOUTQPWQFTLZ-CYBMUJFWSA-N 1 0 261.369 1.438 20 10 CDCDRO Cc1cc(C[N@H+](C)CCO)c(O)cc1Br ZINC001236259100 944441001 /nfs/dbraw/zinc/44/10/01/944441001.db2.gz PAFKSEZFUREUOA-UHFFFAOYSA-N 1 0 274.158 1.887 20 10 CDCDRO Cc1c(O)ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1O ZINC001236575973 944513196 /nfs/dbraw/zinc/51/31/96/944513196.db2.gz FTJPRFWLPKHORH-AOOOYVTPSA-N 1 0 250.342 1.588 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1OC ZINC001236750322 944557361 /nfs/dbraw/zinc/55/73/61/944557361.db2.gz QYZXOESMIQQJAM-MFKMUULPSA-N 1 0 281.352 1.612 20 10 CDCDRO CCc1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c(O)c1 ZINC001236789581 944568494 /nfs/dbraw/zinc/56/84/94/944568494.db2.gz YWDRXSFKQGGYPI-UHFFFAOYSA-N 1 0 289.379 1.602 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(O)c1 ZINC001236784831 944568839 /nfs/dbraw/zinc/56/88/39/944568839.db2.gz BJRJBSJSRBRSRN-YSVLISHTSA-N 1 0 291.391 1.926 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC001236790759 944571046 /nfs/dbraw/zinc/57/10/46/944571046.db2.gz XTGNIASCTMGMNJ-ZDUSSCGKSA-N 1 0 262.353 1.794 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001237046629 944645953 /nfs/dbraw/zinc/64/59/53/944645953.db2.gz UFZNGNLUSNZHNP-GDBMZVCRSA-N 1 0 279.380 1.691 20 10 CDCDRO CC[NH+](CC)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237202437 944691452 /nfs/dbraw/zinc/69/14/52/944691452.db2.gz GXSOBAKANSOYSG-UHFFFAOYSA-N 1 0 296.436 1.763 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC001237486256 944811250 /nfs/dbraw/zinc/81/12/50/944811250.db2.gz ZRZOJAYSLZGSBV-UHFFFAOYSA-N 1 0 278.352 1.975 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c(OC)c1 ZINC001237671179 944917137 /nfs/dbraw/zinc/91/71/37/944917137.db2.gz ZNIBSIRDYIPHDB-CQSZACIVSA-N 1 0 267.325 1.366 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2cc(OC)cc(OC)c2O)CC1 ZINC001237675258 944921004 /nfs/dbraw/zinc/92/10/04/944921004.db2.gz UYUQMSGZTPEPIY-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO Cc1cc(F)cc(C[N@H+](C)CCN2CCOCC2)c1O ZINC001238058939 945046263 /nfs/dbraw/zinc/04/62/63/945046263.db2.gz WTCRMXCIMYIBLT-UHFFFAOYSA-N 1 0 282.359 1.604 20 10 CDCDRO Oc1ccc(CC[NH2+][C@H]2CC3CCN(CC3)C2)cc1O ZINC001254838542 947617169 /nfs/dbraw/zinc/61/71/69/947617169.db2.gz FSHUOGVISSTNQY-AWEZNQCLSA-N 1 0 276.380 1.714 20 10 CDCDRO Oc1cc(Br)ccc1CN[C@@H]1CCC[NH2+]C1 ZINC001246345122 948120632 /nfs/dbraw/zinc/12/06/32/948120632.db2.gz UUHMCWYYKLBJBV-LLVKDONJSA-N 1 0 285.185 1.996 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(O)c1 ZINC001249208428 949461627 /nfs/dbraw/zinc/46/16/27/949461627.db2.gz UDWFPVWMSWSLMF-SMDDNHRTSA-N 1 0 293.363 1.453 20 10 CDCDRO COC(=O)[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001252437579 951269350 /nfs/dbraw/zinc/26/93/50/951269350.db2.gz UNRFQWCFWYCYFE-OAHLLOKOSA-N 1 0 292.379 1.300 20 10 CDCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COC ZINC001252819495 951661569 /nfs/dbraw/zinc/66/15/69/951661569.db2.gz PIHGXRFXPNHPLD-HNNXBMFYSA-N 1 0 266.385 1.582 20 10 CDCDRO C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC001326473277 954398681 /nfs/dbraw/zinc/39/86/81/954398681.db2.gz IIUIGSHALRADPL-MNOVXSKESA-N 1 0 280.368 1.685 20 10 CDCDRO COc1cc(C)c(C[N@H+](C)CC(=O)NC2CC2)c(O)c1 ZINC001308659017 956557694 /nfs/dbraw/zinc/55/76/94/956557694.db2.gz ZJHGAUNUKVZVOY-UHFFFAOYSA-N 1 0 278.352 1.420 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001335382659 959760056 /nfs/dbraw/zinc/76/00/56/959760056.db2.gz PSRLZFMUXCJXPO-ZDUSSCGKSA-N 1 0 294.418 1.357 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC001341560683 963464023 /nfs/dbraw/zinc/46/40/23/963464023.db2.gz SJENLUVJCGLGPG-CQSZACIVSA-N 1 0 261.369 1.460 20 10 CDCDRO C[NH2+]C1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCC1 ZINC001343542625 964032749 /nfs/dbraw/zinc/03/27/49/964032749.db2.gz MCUIKDBSLYUAKS-SNVBAGLBSA-N 1 0 278.352 1.720 20 10 CDCDRO C[N@H+](CC(=O)NCc1cccc(O)c1O)[C@@H]1CCSC1 ZINC001347233085 965432757 /nfs/dbraw/zinc/43/27/57/965432757.db2.gz FJBFQPFLLGACFG-LLVKDONJSA-N 1 0 296.392 1.151 20 10 CDCDRO CN1CCN(c2ccc(C[NH2+]C/C=C/CO)cc2F)CC1 ZINC001347357694 965486272 /nfs/dbraw/zinc/48/62/72/965486272.db2.gz SLCSHLHDMGBXSI-NSCUHMNNSA-N 1 0 293.386 1.216 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594261377 999009645 /nfs/dbraw/zinc/00/96/45/999009645.db2.gz NOWANORHBINAQP-FOGDFJRCSA-N 1 0 278.352 1.882 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccccc1O ZINC001576900835 1171554922 /nfs/dbraw/zinc/55/49/22/1171554922.db2.gz XDKPOMFSHCQPMQ-NRUUGDAUSA-N 1 0 278.352 1.682 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(C)cc1O ZINC001578734684 1171990380 /nfs/dbraw/zinc/99/03/80/1171990380.db2.gz UEXWUBIOARQBMW-STQMWFEESA-N 1 0 252.333 1.832 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000449365265 362669411 /nfs/dbraw/zinc/66/94/11/362669411.db2.gz SNGNXZQFQLWCOP-DGCLKSJQSA-N 1 0 289.379 1.334 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295164769 199381555 /nfs/dbraw/zinc/38/15/55/199381555.db2.gz SOSKVBQYLWJAHP-CQSZACIVSA-N 1 0 294.395 1.337 20 10 CDCDRO CCOCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879329 357083176 /nfs/dbraw/zinc/08/31/76/357083176.db2.gz ZBZIEBUSXJCNHZ-UHFFFAOYSA-N 1 0 253.298 1.637 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000179587177 357213872 /nfs/dbraw/zinc/21/38/72/357213872.db2.gz ZITZRDPUQJQMFL-CYBMUJFWSA-N 1 0 272.352 1.896 20 10 CDCDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179937762 357232637 /nfs/dbraw/zinc/23/26/37/357232637.db2.gz FLSYOMYGVWVCDY-ZDUSSCGKSA-N 1 0 278.327 1.774 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)C2)cc1OC ZINC000179954148 357233132 /nfs/dbraw/zinc/23/31/32/357233132.db2.gz UANUXTBHTCZMAZ-SNVBAGLBSA-N 1 0 267.325 1.224 20 10 CDCDRO C[C@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1CC(C)(C)O ZINC000188896957 357949628 /nfs/dbraw/zinc/94/96/28/357949628.db2.gz CPRGRIMERUPZTB-LBPRGKRZSA-N 1 0 296.386 1.808 20 10 CDCDRO C[C@H]1CN(Cc2ccccc2O)CC[N@@H+]1CC(C)(C)O ZINC000188897699 357950098 /nfs/dbraw/zinc/95/00/98/357950098.db2.gz OURZCNNFUSZCPM-ZDUSSCGKSA-N 1 0 278.396 1.669 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000364513520 358438555 /nfs/dbraw/zinc/43/85/55/358438555.db2.gz UXIMFRXNDMKTBK-OAHLLOKOSA-N 1 0 271.368 1.791 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCN1CCCC1)OCO2 ZINC000042879447 358983922 /nfs/dbraw/zinc/98/39/22/358983922.db2.gz JITGCWHUXNNBOH-UHFFFAOYSA-N 1 0 264.325 1.306 20 10 CDCDRO C[N@H+](CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1O ZINC000111235077 359197388 /nfs/dbraw/zinc/19/73/88/359197388.db2.gz WFHUMMMTHYWNPW-UHFFFAOYSA-N 1 0 291.351 1.154 20 10 CDCDRO Cc1n[nH]c(C)c1NC(=O)CN(C)Cc1ccccc1O ZINC000114721371 359494191 /nfs/dbraw/zinc/49/41/91/359494191.db2.gz RLDWYXJXZNGKJI-UHFFFAOYSA-N 1 0 288.351 1.803 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000117946235 359735884 /nfs/dbraw/zinc/73/58/84/359735884.db2.gz ONRWGKBCXGHEGD-SNVBAGLBSA-N 1 0 290.157 1.252 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297861586 200294622 /nfs/dbraw/zinc/29/46/22/200294622.db2.gz UCSSRLKKWUBTCM-RYUDHWBXSA-N 1 0 251.326 1.367 20 10 CDCDRO OCC1(C[NH2+]Cc2c(O)cccc2Cl)COC1 ZINC000123026650 360253618 /nfs/dbraw/zinc/25/36/18/360253618.db2.gz ANKPTOKIKVBZFS-UHFFFAOYSA-N 1 0 257.717 1.144 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000230663242 360336027 /nfs/dbraw/zinc/33/60/27/360336027.db2.gz YYMAIIZEZUQQON-NWDGAFQWSA-N 1 0 253.342 1.749 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282379902 364087384 /nfs/dbraw/zinc/08/73/84/364087384.db2.gz OIPZBDOENLKUPB-QGZVFWFLSA-N 1 0 253.367 1.701 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000269556918 364240788 /nfs/dbraw/zinc/24/07/88/364240788.db2.gz ZLMZPDZYBLWBBE-AWEZNQCLSA-N 1 0 261.369 1.415 20 10 CDCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000271889007 365003958 /nfs/dbraw/zinc/00/39/58/365003958.db2.gz WWGVVRXONZTIFU-CQSZACIVSA-N 1 0 267.300 1.788 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272587343 365308403 /nfs/dbraw/zinc/30/84/03/365308403.db2.gz HHVLZHRCWVDHLO-DOMZBBRYSA-N 1 0 276.380 1.927 20 10 CDCDRO CC[C@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1O ZINC000183330093 365404742 /nfs/dbraw/zinc/40/47/42/365404742.db2.gz GVVINHOHRMFQBU-ZDUSSCGKSA-N 1 0 262.353 1.959 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000273460905 365497839 /nfs/dbraw/zinc/49/78/39/365497839.db2.gz CQWVZAXEUSOEDU-BONVTDFDSA-N 1 0 291.351 1.519 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)COC)cc1 ZINC000233453118 367591002 /nfs/dbraw/zinc/59/10/02/367591002.db2.gz YMVLCNPVMZKMNP-CQSZACIVSA-N 1 0 266.385 1.630 20 10 CDCDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872100 296132117 /nfs/dbraw/zinc/13/21/17/296132117.db2.gz VKPDAWULDYRDIF-PBHICJAKSA-N 1 0 291.439 1.860 20 10 CDCDRO CN(C)c1ccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)cc1 ZINC000287513037 369222494 /nfs/dbraw/zinc/22/24/94/369222494.db2.gz UPXBMWGLJPXNPM-HUUCEWRRSA-N 1 0 264.369 1.070 20 10 CDCDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)NCC1CC1 ZINC000272655993 371118613 /nfs/dbraw/zinc/11/86/13/371118613.db2.gz QQPKUWQQSDFAHF-UHFFFAOYSA-N 1 0 268.744 1.661 20 10 CDCDRO CNC(=O)C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000297506720 371997135 /nfs/dbraw/zinc/99/71/35/371997135.db2.gz WSZVNKJEBPAIQB-UHFFFAOYSA-N 1 0 254.717 1.223 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000123970981 374745850 /nfs/dbraw/zinc/74/58/50/374745850.db2.gz CBMKLLJMJDPBEY-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCn2nccc21 ZINC000639034768 377345775 /nfs/dbraw/zinc/34/57/75/377345775.db2.gz MRNUYNYOXWZZMH-UHFFFAOYSA-N 1 0 268.320 1.189 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000293754891 378589124 /nfs/dbraw/zinc/58/91/24/378589124.db2.gz OLUCFPSKDUFODE-VXGBXAGGSA-N 1 0 262.353 1.890 20 10 CDCDRO OCC[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000189932955 285267375 /nfs/dbraw/zinc/26/73/75/285267375.db2.gz BBTNVYOUJFVZQZ-ZYHUDNBSSA-N 1 0 279.336 1.762 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C ZINC000120249779 390866767 /nfs/dbraw/zinc/86/67/67/390866767.db2.gz PKRGHGZXXJAHJW-BXUZGUMPSA-N 1 0 278.352 1.084 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000122574583 390903456 /nfs/dbraw/zinc/90/34/56/390903456.db2.gz YFBWUMCJEVOXRE-HNNXBMFYSA-N 1 0 275.396 1.805 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)CSC)c1 ZINC000182430762 391235220 /nfs/dbraw/zinc/23/52/20/391235220.db2.gz WEMTZTRMZRWBPC-CYBMUJFWSA-N 1 0 271.382 1.604 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCC(=O)NC)c1 ZINC000179412552 391204677 /nfs/dbraw/zinc/20/46/77/391204677.db2.gz KEHXBWDDZUGQBY-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(O)c1O ZINC000179444342 391205674 /nfs/dbraw/zinc/20/56/74/391205674.db2.gz ZEUPIUKAVOUIQQ-NSHDSACASA-N 1 0 290.363 1.620 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000372692735 391862334 /nfs/dbraw/zinc/86/23/34/391862334.db2.gz USAVCULDHFXGJA-HNNXBMFYSA-N 1 0 292.335 1.475 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000037262885 173072341 /nfs/dbraw/zinc/07/23/41/173072341.db2.gz RTDRJRWXNQDDAQ-NSHDSACASA-N 1 0 261.369 1.682 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2CCN(C)CC2)c1 ZINC000037267001 173076274 /nfs/dbraw/zinc/07/62/74/173076274.db2.gz GBHBSGFCSAGINJ-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)c(C)n1-c1ccccn1 ZINC000159223036 261181570 /nfs/dbraw/zinc/18/15/70/261181570.db2.gz QMQYTWGLADLYAH-OAHLLOKOSA-N 1 0 298.390 1.956 20 10 CDCDRO COCC[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000165845138 261378154 /nfs/dbraw/zinc/37/81/54/261378154.db2.gz HZXRVVHZJHCSDA-UHFFFAOYSA-N 1 0 291.395 1.038 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000178711136 261756148 /nfs/dbraw/zinc/75/61/48/261756148.db2.gz GAOSYISWZXVQSW-CQSZACIVSA-N 1 0 273.380 1.513 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CCNC(=O)C[C@@H]2C)cc1C ZINC000368137215 267147487 /nfs/dbraw/zinc/14/74/87/267147487.db2.gz YFFUGUBAQFSHNQ-LBPRGKRZSA-N 1 0 262.353 1.719 20 10 CDCDRO CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368352075 267164740 /nfs/dbraw/zinc/16/47/40/267164740.db2.gz NZXLNCLZQYEXGR-LLVKDONJSA-N 1 0 269.366 1.259 20 10 CDCDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCNC1=O ZINC000281733290 279233741 /nfs/dbraw/zinc/23/37/41/279233741.db2.gz JJOSHEJGJUKPHR-NSHDSACASA-N 1 0 298.770 1.765 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296584768 280145251 /nfs/dbraw/zinc/14/52/51/280145251.db2.gz UPXCAMUMQGCSLQ-NWDGAFQWSA-N 1 0 298.408 1.297 20 10 CDCDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)NC1CC1 ZINC000083551752 526881362 /nfs/dbraw/zinc/88/13/62/526881362.db2.gz HNFHESLNKSCOLQ-UHFFFAOYSA-N 1 0 254.717 1.414 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1O ZINC000272900316 328201420 /nfs/dbraw/zinc/20/14/20/328201420.db2.gz UYLMZRSTROEWSA-XHDPSFHLSA-N 1 0 265.353 1.830 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1O ZINC000378555492 329054618 /nfs/dbraw/zinc/05/46/18/329054618.db2.gz DFKXDSCPCCZQRU-NWDGAFQWSA-N 1 0 290.363 1.763 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000185025868 329264687 /nfs/dbraw/zinc/26/46/87/329264687.db2.gz MACXUUNCOTUAPG-YUTCNCBUSA-N 1 0 259.353 1.007 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000187986631 329364508 /nfs/dbraw/zinc/36/45/08/329364508.db2.gz QEHRNRVTVRUSCJ-JQWIXIFHSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H](CO)COC)ccc1OC ZINC000279812946 520186821 /nfs/dbraw/zinc/18/68/21/520186821.db2.gz OTXWXXLMCCHJOK-CQSZACIVSA-N 1 0 283.368 1.329 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000079390478 520901532 /nfs/dbraw/zinc/90/15/32/520901532.db2.gz JTJXUDDCBXVGQU-HNNXBMFYSA-N 1 0 275.396 1.901 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037268340 521743683 /nfs/dbraw/zinc/74/36/83/521743683.db2.gz DGTIZGYZUPXSAC-NWDGAFQWSA-N 1 0 263.385 1.928 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000280468151 521774964 /nfs/dbraw/zinc/77/49/64/521774964.db2.gz YFTWUBJCDDKZAF-MRXNPFEDSA-N 1 0 276.380 1.967 20 10 CDCDRO C[NH+](C)C[C@](C)(O)CNCc1c(O)cccc1Cl ZINC000131443939 521886858 /nfs/dbraw/zinc/88/68/58/521886858.db2.gz PAHABKWAIUXAIW-CYBMUJFWSA-N 1 0 272.776 1.448 20 10 CDCDRO C[NH2+]CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285710351 521979642 /nfs/dbraw/zinc/97/96/42/521979642.db2.gz CXEDDNRKUKKZMQ-UHFFFAOYSA-N 1 0 253.321 1.117 20 10 CDCDRO CC[C@H]([NH2+]CC[C@H](O)COC)c1ccccc1O ZINC000156986470 522599668 /nfs/dbraw/zinc/59/96/68/522599668.db2.gz AYGOYPXRRFWQIT-AAEUAGOBSA-N 1 0 253.342 1.830 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000276784337 524402640 /nfs/dbraw/zinc/40/26/40/524402640.db2.gz JWEYWMKALRUUEB-CQSZACIVSA-N 1 0 274.364 1.897 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000127992187 525343138 /nfs/dbraw/zinc/34/31/38/525343138.db2.gz JNWKYRSFHRUPSW-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cnn(C)c3)CC2)c1 ZINC000126116750 525343390 /nfs/dbraw/zinc/34/33/90/525343390.db2.gz JXDSCLJLVXBCDO-UHFFFAOYSA-N 1 0 286.379 1.756 20 10 CDCDRO COc1cccc(C[N@H+](C)CCCCCO)c1O ZINC000279362500 525913188 /nfs/dbraw/zinc/91/31/88/525913188.db2.gz HFQKAHHGCIQNOB-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO COc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1O ZINC000280031056 525997287 /nfs/dbraw/zinc/99/72/87/525997287.db2.gz YUBNQRKMMNSOMU-ZDUSSCGKSA-N 1 0 290.363 1.644 20 10 CDCDRO Cc1nccnc1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000293134048 527451587 /nfs/dbraw/zinc/45/15/87/527451587.db2.gz TULBFKHHQSUPPD-UHFFFAOYSA-N 1 0 287.319 1.552 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000295218884 527479982 /nfs/dbraw/zinc/47/99/82/527479982.db2.gz QTMMORRZUPKNAK-HIFRSBDPSA-N 1 0 275.396 1.835 20 10 CDCDRO OCC1([NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000226608778 527525172 /nfs/dbraw/zinc/52/51/72/527525172.db2.gz HIEGMXABYLSVOU-UHFFFAOYSA-N 1 0 255.289 1.162 20 10 CDCDRO COc1ccc(O)c(CNC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000734066923 575155384 /nfs/dbraw/zinc/15/53/84/575155384.db2.gz HORVQLFVKCONCX-LLVKDONJSA-N 1 0 295.383 1.540 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000769555633 575358888 /nfs/dbraw/zinc/35/88/88/575358888.db2.gz HVURTILTFZRBRE-MRXNPFEDSA-N 1 0 293.363 1.782 20 10 CDCDRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc(O)c2O)C1 ZINC000769706662 575375180 /nfs/dbraw/zinc/37/51/80/575375180.db2.gz CHYCWYNUNKDFRO-UHFFFAOYSA-N 1 0 292.379 1.950 20 10 CDCDRO CCOc1ccc(CN2CC[NH+](C[C@H](C)O)CC2)c(O)c1 ZINC000769327619 576346331 /nfs/dbraw/zinc/34/63/31/576346331.db2.gz KFMAKUUATYSVGS-ZDUSSCGKSA-N 1 0 294.395 1.289 20 10 CDCDRO COc1cccc(O)c1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000769445350 576354275 /nfs/dbraw/zinc/35/42/75/576354275.db2.gz GROFVBNQEWICBO-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c(O)c1 ZINC000769463730 576356307 /nfs/dbraw/zinc/35/63/07/576356307.db2.gz PKQUGGMFUKDWJN-CYBMUJFWSA-N 1 0 278.352 1.453 20 10 CDCDRO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[NH+](C)C ZINC000750017208 576972331 /nfs/dbraw/zinc/97/23/31/576972331.db2.gz JSVLXVKGXZKOGO-ZDUSSCGKSA-N 1 0 291.395 1.090 20 10 CDCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756777167 577003539 /nfs/dbraw/zinc/00/35/39/577003539.db2.gz WJXCEEUBAQBOFZ-AMIZOPFISA-N 1 0 297.305 1.788 20 10 CDCDRO CC[NH2+]CCNC(=O)N[C@H](C)c1ccccc1O ZINC000891996842 617396819 /nfs/dbraw/zinc/39/68/19/617396819.db2.gz IUWUCNQARYXTIJ-SNVBAGLBSA-N 1 0 251.330 1.362 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000892038139 617430051 /nfs/dbraw/zinc/43/00/51/617430051.db2.gz AICMYFCSMDSADK-CABCVRRESA-N 1 0 288.395 1.347 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCOC2)c(O)c1OC ZINC000893181490 617444219 /nfs/dbraw/zinc/44/42/19/617444219.db2.gz LZPVMCSUSUTBLN-SNVBAGLBSA-N 1 0 253.298 1.288 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)OC)c1 ZINC000850479227 617515268 /nfs/dbraw/zinc/51/52/68/617515268.db2.gz NXOJIVAXXNTMRM-JTQLQIEISA-N 1 0 254.330 1.545 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)CC2CC2)c1 ZINC000776251780 617612768 /nfs/dbraw/zinc/61/27/68/617612768.db2.gz AEMWPNSJAFZFHQ-LBPRGKRZSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1OC ZINC000891867277 617693476 /nfs/dbraw/zinc/69/34/76/617693476.db2.gz DIIMQECRASHZOP-SNVBAGLBSA-N 1 0 267.325 1.224 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](O)CC(C)C)c(O)c1OC ZINC000892750176 617698547 /nfs/dbraw/zinc/69/85/47/617698547.db2.gz RLQZSTAUHHAVIW-GFCCVEGCSA-N 1 0 283.368 1.906 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893693708 617851286 /nfs/dbraw/zinc/85/12/86/617851286.db2.gz GACREQNDZKAGRK-UHFFFAOYSA-N 1 0 295.335 1.452 20 10 CDCDRO COC(=O)[C@@H]1[C@H](C[N@H+](C)Cc2ccccc2O)C1(F)F ZINC000893961287 618209106 /nfs/dbraw/zinc/20/91/06/618209106.db2.gz DVPTYCJDCXMGGL-JQWIXIFHSA-N 1 0 285.290 1.878 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCNC(C)=O)c1O ZINC000894166326 618643695 /nfs/dbraw/zinc/64/36/95/618643695.db2.gz XGOUYWUFHBZEQY-UHFFFAOYSA-N 1 0 266.341 1.325 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(O)c1OC ZINC000894184873 618672059 /nfs/dbraw/zinc/67/20/59/618672059.db2.gz LZJDKLWRFFNCIL-HNNXBMFYSA-N 1 0 294.351 1.107 20 10 CDCDRO C[C@H]1[NH2+]CCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000843057222 618691449 /nfs/dbraw/zinc/69/14/49/618691449.db2.gz GUZRMRRTWRPJAA-NXEZZACHSA-N 1 0 264.325 1.303 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c1O ZINC000894409694 618868315 /nfs/dbraw/zinc/86/83/15/618868315.db2.gz DSLQQCPTXQSQPR-NSPYISDASA-N 1 0 285.409 1.956 20 10 CDCDRO COc1cccc(C[NH2+]C2CCN(C=O)CC2)c1O ZINC000894458296 618895950 /nfs/dbraw/zinc/89/59/50/618895950.db2.gz QJTABBBDEANBRN-UHFFFAOYSA-N 1 0 264.325 1.111 20 10 CDCDRO COc1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)c(O)c1OC ZINC000894980187 619176733 /nfs/dbraw/zinc/17/67/33/619176733.db2.gz FZKUDUIPBQUWKN-CYBMUJFWSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCc3n[nH]cc3C2)c1O ZINC000895390325 619628545 /nfs/dbraw/zinc/62/85/45/619628545.db2.gz WQZZXTFAWFLBCY-UHFFFAOYSA-N 1 0 273.336 1.991 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000895747406 619821719 /nfs/dbraw/zinc/82/17/19/619821719.db2.gz HLNZUOTZHRMZEX-ZIAGYGMSSA-N 1 0 295.379 1.729 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(O)c1OC ZINC000896045019 619955400 /nfs/dbraw/zinc/95/54/00/619955400.db2.gz AXYAGKORJPEDHB-UHTWSYAYSA-N 1 0 293.363 1.612 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754049 620960398 /nfs/dbraw/zinc/96/03/98/620960398.db2.gz YRGXKLMDVNBFBB-WCBMZHEXSA-N 1 0 259.733 1.704 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc2c(cc1O)OCO2 ZINC000897709933 621082623 /nfs/dbraw/zinc/08/26/23/621082623.db2.gz LUEFNTDCBVSIQM-UHFFFAOYSA-N 1 0 280.324 1.079 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc(C)ccc1O ZINC000897710526 621084121 /nfs/dbraw/zinc/08/41/21/621084121.db2.gz VQNNNSDSHKQHMF-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(N)=O ZINC000035148836 621547782 /nfs/dbraw/zinc/54/77/82/621547782.db2.gz YLXSFUIQOHNRAX-GFCCVEGCSA-N 1 0 261.369 1.640 20 10 CDCDRO CC[C@H](O)C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905706319 626933517 /nfs/dbraw/zinc/93/35/17/626933517.db2.gz SXJSPVDXHRHXAR-JKSUJKDBSA-N 1 0 279.428 1.716 20 10 CDCDRO CN(C)c1ccc([C@@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000905706454 626933652 /nfs/dbraw/zinc/93/36/52/626933652.db2.gz VCJMPJGXAHOINC-CQSZACIVSA-N 1 0 280.372 1.222 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000911783273 629500020 /nfs/dbraw/zinc/50/00/20/629500020.db2.gz SVTOWQORJJYQOJ-BFHYXJOUSA-N 1 0 259.353 1.068 20 10 CDCDRO c1nc2n(c1C[NH2+]Cc1ccc3c(c1)CCO3)CCOC2 ZINC000921650946 633127161 /nfs/dbraw/zinc/12/71/61/633127161.db2.gz PILOCASRJLBACZ-UHFFFAOYSA-N 1 0 285.347 1.638 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921658213 633131642 /nfs/dbraw/zinc/13/16/42/633131642.db2.gz OOKATFDUYMNTIX-UHFFFAOYSA-N 1 0 278.396 1.679 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921737112 633253440 /nfs/dbraw/zinc/25/34/40/633253440.db2.gz AQOKPJOZSOAXJJ-LBPRGKRZSA-N 1 0 297.420 1.924 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1=O ZINC000380701210 1160676920 /nfs/dbraw/zinc/67/69/20/1160676920.db2.gz NUFNPHHBXCSIJS-AWEZNQCLSA-N 1 0 273.380 1.607 20 10 CDCDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000863937378 1164495814 /nfs/dbraw/zinc/49/58/14/1164495814.db2.gz AJZGKYLRKZGLBU-SNVBAGLBSA-N 1 0 296.342 1.699 20 10 CDCDRO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001609779956 1165079412 /nfs/dbraw/zinc/07/94/12/1165079412.db2.gz PWDUUSTUWMNUAL-SNVBAGLBSA-N 1 0 278.352 1.883 20 10 CDCDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(O)c1O ZINC000126306708 1165963682 /nfs/dbraw/zinc/96/36/82/1165963682.db2.gz BILNMOFJUKGVAF-LLVKDONJSA-N 1 0 266.341 1.414 20 10 CDCDRO COc1ccc(N2CCN([C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000062948499 1169092377 /nfs/dbraw/zinc/09/23/77/1169092377.db2.gz MBGZAZZGGSHCSO-HOCLYGCPSA-N 1 0 289.423 1.958 20 10 CDCDRO C[C@H]1CC[C@H](NC(=O)NCc2c(O)cccc2F)C[NH2+]1 ZINC001576667185 1171483704 /nfs/dbraw/zinc/48/37/04/1171483704.db2.gz SGWFAJCIIRVONS-UWVGGRQHSA-N 1 0 281.331 1.471 20 10 CDCDRO Cc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c(O)c1O ZINC001579661258 1172236168 /nfs/dbraw/zinc/23/61/68/1172236168.db2.gz RGEXSKCFGHXNHG-OAHLLOKOSA-N 1 0 280.368 1.900 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCc2cc(N)cc[nH+]2)c1 ZINC001579723318 1172247001 /nfs/dbraw/zinc/24/70/01/1172247001.db2.gz IZRHFOLOSZXXTL-UHFFFAOYSA-N 1 0 286.335 1.677 20 10 CDCDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000228693406 1175794699 /nfs/dbraw/zinc/79/46/99/1175794699.db2.gz MIUXIIGGHJMVFP-JTQLQIEISA-N 1 0 268.332 1.954 20 10 CDCDRO COc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1 ZINC000234878653 1178228482 /nfs/dbraw/zinc/22/84/82/1178228482.db2.gz AXIROFKYQUSNOT-OKILXGFUSA-N 1 0 267.325 1.246 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCOCC2)c1 ZINC000019954543 844018630 /nfs/dbraw/zinc/01/86/30/844018630.db2.gz USDOLXHUSBDGBE-LBPRGKRZSA-N 1 0 280.368 1.384 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)NCCF)cc1Cl ZINC000825773987 844065973 /nfs/dbraw/zinc/06/59/73/844065973.db2.gz SKIOIPYUEOIQMJ-SECBINFHSA-N 1 0 288.750 1.918 20 10 CDCDRO CS[C@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1[NH+](C)C ZINC000841295588 844428263 /nfs/dbraw/zinc/42/82/63/844428263.db2.gz CAZMWEQMHAUAJU-OLZOCXBDSA-N 1 0 294.424 1.778 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876728589 844442615 /nfs/dbraw/zinc/44/26/15/844442615.db2.gz QHFJESZQUBVKJP-ZDUSSCGKSA-N 1 0 262.353 1.659 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(F)ccc1O ZINC000094617778 844440026 /nfs/dbraw/zinc/44/00/26/844440026.db2.gz BDASQGKJRDNOHA-KOLCDFICSA-N 1 0 255.289 1.597 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000779199484 844441584 /nfs/dbraw/zinc/44/15/84/844441584.db2.gz BAFUPQRBKUMAPD-FZMZJTMJSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025146 844546362 /nfs/dbraw/zinc/54/63/62/844546362.db2.gz PTQHYKVIWVFORL-VIFPVBQESA-N 1 0 251.330 1.813 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000863544661 844547396 /nfs/dbraw/zinc/54/73/96/844547396.db2.gz AVTAJHJWDZIPEM-GDBMZVCRSA-N 1 0 277.412 1.782 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCC(O)CC1)CC2 ZINC000321542511 844548406 /nfs/dbraw/zinc/54/84/06/844548406.db2.gz LBVLYHTVEIAOEF-CQSZACIVSA-N 1 0 276.380 1.426 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000817877324 844550424 /nfs/dbraw/zinc/55/04/24/844550424.db2.gz VFJXHUOHGQPWSK-UHFFFAOYSA-N 1 0 278.400 1.679 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2ccc(CO)o2)c1 ZINC000174395096 844572765 /nfs/dbraw/zinc/57/27/65/844572765.db2.gz ZQQBHDKIPVVPSE-UHFFFAOYSA-N 1 0 263.293 1.776 20 10 CDCDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381136425 843019840 /nfs/dbraw/zinc/01/98/40/843019840.db2.gz IXXVXEPVPGCCTM-OCCSQVGLSA-N 1 0 275.396 1.899 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000843051761 843066195 /nfs/dbraw/zinc/06/61/95/843066195.db2.gz LNFNBNGTZMRYDJ-AAEUAGOBSA-N 1 0 294.395 1.969 20 10 CDCDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+](CCO)CCCO ZINC000775692561 843087195 /nfs/dbraw/zinc/08/71/95/843087195.db2.gz LSLRGBYPDKMZIL-UHFFFAOYSA-N 1 0 277.723 1.361 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(O)c1 ZINC000877118483 843260168 /nfs/dbraw/zinc/26/01/68/843260168.db2.gz CKYKQEOFJYRVRD-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)ccc(O)c1O ZINC000825481485 843326916 /nfs/dbraw/zinc/32/69/16/843326916.db2.gz KQVKRGZCWREKCO-UWVGGRQHSA-N 1 0 294.326 1.594 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC000872784624 843387218 /nfs/dbraw/zinc/38/72/18/843387218.db2.gz OQQKDPKJOFASOE-BETUJISGSA-N 1 0 263.337 1.787 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2ccc(C)cc2O)CCOC1 ZINC000877379629 843398375 /nfs/dbraw/zinc/39/83/75/843398375.db2.gz DRGNLWSRHJERCO-OAHLLOKOSA-N 1 0 279.336 1.512 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000824815657 843411333 /nfs/dbraw/zinc/41/13/33/843411333.db2.gz WABLXNQKVJMWJI-GXFFZTMASA-N 1 0 279.336 1.978 20 10 CDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(C)cc1O ZINC000877563762 843492836 /nfs/dbraw/zinc/49/28/36/843492836.db2.gz PHGNIZAYXKGNCA-DZGCQCFKSA-N 1 0 265.353 1.842 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CNCCO1)c1cc2c(cc1O)CCCC2 ZINC000817982352 843517821 /nfs/dbraw/zinc/51/78/21/843517821.db2.gz CLUCYAHHTOEGLO-SWLSCSKDSA-N 1 0 290.407 1.910 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]CCN1CCCOCC1 ZINC000809751269 843541857 /nfs/dbraw/zinc/54/18/57/843541857.db2.gz PDYXEKRFDWRUGX-UHFFFAOYSA-N 1 0 284.787 1.858 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000858577415 843559596 /nfs/dbraw/zinc/55/95/96/843559596.db2.gz BWNDYASCQSHKSA-MNOVXSKESA-N 1 0 266.341 1.760 20 10 CDCDRO C[N@H+](CC(=O)NCC(C)(C)C)Cc1ccccc1O ZINC000859188971 843637000 /nfs/dbraw/zinc/63/70/00/843637000.db2.gz ILVGAGDPPBMBNE-UHFFFAOYSA-N 1 0 264.369 1.986 20 10 CDCDRO O=C(C[C@H]1CCC[NH2+]1)NCCCSc1nccs1 ZINC000158526728 843720834 /nfs/dbraw/zinc/72/08/34/843720834.db2.gz UQWZMGHIRDLKNG-SNVBAGLBSA-N 1 0 285.438 1.884 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)CC(=O)NC)c1O ZINC000132623089 843764069 /nfs/dbraw/zinc/76/40/69/843764069.db2.gz OAIPASJXFWCVGV-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)c1c(F)ccc(O)c1O ZINC000825726854 843799562 /nfs/dbraw/zinc/79/95/62/843799562.db2.gz BPGVGSQHZGRHGD-UHFFFAOYSA-N 1 0 282.315 1.405 20 10 CDCDRO CC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)COC1 ZINC000850406823 843800881 /nfs/dbraw/zinc/80/08/81/843800881.db2.gz VIQUPLFNFMUMRE-UHFFFAOYSA-N 1 0 290.407 1.774 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@H](CC)c1ccccc1O ZINC000229561428 843825059 /nfs/dbraw/zinc/82/50/59/843825059.db2.gz FTEHXTMFUIQYPA-GFCCVEGCSA-N 1 0 286.397 1.372 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000228098993 843836112 /nfs/dbraw/zinc/83/61/12/843836112.db2.gz YXEUFMLOJFAUDX-OAHLLOKOSA-N 1 0 262.353 1.659 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2COC[C@H]2OC)c1O ZINC000848920212 843843627 /nfs/dbraw/zinc/84/36/27/843843627.db2.gz ZFZRYFCAJRFFPG-CHWSQXEVSA-N 1 0 251.326 1.458 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCOCCOC)c(O)c1 ZINC000809790098 843862160 /nfs/dbraw/zinc/86/21/60/843862160.db2.gz XVKRKWKLWSXJEU-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088558 843895253 /nfs/dbraw/zinc/89/52/53/843895253.db2.gz JIFLUXBPHOYLDW-GHMZBOCLSA-N 1 0 290.363 1.815 20 10 CDCDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1O ZINC000848351917 843952554 /nfs/dbraw/zinc/95/25/54/843952554.db2.gz HOGUABJKHXNAPI-QWHCGFSZSA-N 1 0 290.363 1.845 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c(O)c1 ZINC000858548798 844661032 /nfs/dbraw/zinc/66/10/32/844661032.db2.gz PHQSUWQXUBPPBH-UONOGXRCSA-N 1 0 278.396 1.726 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(F)ccc1O ZINC000704357785 844703593 /nfs/dbraw/zinc/70/35/93/844703593.db2.gz QYRWXTPQPCAGAQ-SKDRFNHKSA-N 1 0 266.316 1.803 20 10 CDCDRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817942915 844758885 /nfs/dbraw/zinc/75/88/85/844758885.db2.gz RNHBAPVSRHZDKD-KCXAZCMYSA-N 1 0 277.412 1.767 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848394299 844786580 /nfs/dbraw/zinc/78/65/80/844786580.db2.gz JMAPSALUQLBWSE-ZBFHGGJFSA-N 1 0 273.380 1.317 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CCO)C2)cc1 ZINC000818342236 844830075 /nfs/dbraw/zinc/83/00/75/844830075.db2.gz NNVDYIHQZSXGLQ-KGLIPLIRSA-N 1 0 278.396 1.882 20 10 CDCDRO CC[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293633 844872204 /nfs/dbraw/zinc/87/22/04/844872204.db2.gz ZKHFWJKIDFPFBB-BXUZGUMPSA-N 1 0 263.385 1.915 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000776222587 844877811 /nfs/dbraw/zinc/87/78/11/844877811.db2.gz GCCHQJDSNPIZTF-YPMHNXCESA-N 1 0 294.395 1.982 20 10 CDCDRO OCCCSCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000222940720 844895130 /nfs/dbraw/zinc/89/51/30/844895130.db2.gz UMNIHSOEHVNYOL-UHFFFAOYSA-N 1 0 267.394 1.827 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1ccc(N2CC=CC2)cc1 ZINC000871605622 844931474 /nfs/dbraw/zinc/93/14/74/844931474.db2.gz QEONOXJHOIPBGE-UHFFFAOYSA-N 1 0 288.395 1.665 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)CC1=O ZINC000391497419 844949768 /nfs/dbraw/zinc/94/97/68/844949768.db2.gz TVXQAEDGUVLCLY-RYUDHWBXSA-N 1 0 262.353 1.972 20 10 CDCDRO Cc1cc(CN2CCO[C@@H](C[NH3+])C2)ccc1N(C)C ZINC000923332035 844958661 /nfs/dbraw/zinc/95/86/61/844958661.db2.gz GOCGDHLNRRRNRP-AWEZNQCLSA-N 1 0 263.385 1.221 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(Cl)cc1O ZINC000841752221 844965090 /nfs/dbraw/zinc/96/50/90/844965090.db2.gz NBITWEQFAKIDFJ-YGRLFVJLSA-N 1 0 284.787 1.763 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H](C)C(N)=O)cc1C ZINC000877480899 844975204 /nfs/dbraw/zinc/97/52/04/844975204.db2.gz NKBJPXHKLGZPOE-LLVKDONJSA-N 1 0 250.342 1.747 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000794709219 844982548 /nfs/dbraw/zinc/98/25/48/844982548.db2.gz DWWSZSWECBAXJV-HNNXBMFYSA-N 1 0 262.353 1.706 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000841651901 845061849 /nfs/dbraw/zinc/06/18/49/845061849.db2.gz CETIWNJFLMYEFR-IUODEOHRSA-N 1 0 290.411 1.631 20 10 CDCDRO CC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000846860664 845099877 /nfs/dbraw/zinc/09/98/77/845099877.db2.gz LMNVHKKTKHGDBT-CJNGLKHVSA-N 1 0 279.428 1.716 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)c(O)c1 ZINC000779201374 845165618 /nfs/dbraw/zinc/16/56/18/845165618.db2.gz YUUDHCQLTHJVCM-FZMZJTMJSA-N 1 0 292.379 1.877 20 10 CDCDRO CC[C@@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000124386119 845172238 /nfs/dbraw/zinc/17/22/38/845172238.db2.gz CVMRBSIMGFKQKK-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO O=C1C[C@@H](C[NH2+]Cc2ccccc2O)CN1C1CC1 ZINC000846075188 845267613 /nfs/dbraw/zinc/26/76/13/845267613.db2.gz LTYGUIVFFYKOBA-NSHDSACASA-N 1 0 260.337 1.493 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000831203778 845341565 /nfs/dbraw/zinc/34/15/65/845341565.db2.gz ZROGDNPIQPIPCZ-AXFHLTTASA-N 1 0 295.383 1.887 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2cc(C)ccc2O)CC1=O ZINC000846095008 845355448 /nfs/dbraw/zinc/35/54/48/845355448.db2.gz VXYCGDMTSXCCRQ-LBPRGKRZSA-N 1 0 262.353 1.659 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1F ZINC000852864130 845373236 /nfs/dbraw/zinc/37/32/36/845373236.db2.gz XCOUEDRFZOPABN-CQSZACIVSA-N 1 0 293.386 1.896 20 10 CDCDRO OC[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000886670234 845405441 /nfs/dbraw/zinc/40/54/41/845405441.db2.gz LDWFDWDVSJEDNB-MELADBBJSA-N 1 0 277.364 1.899 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c(O)c1 ZINC000876687406 845422560 /nfs/dbraw/zinc/42/25/60/845422560.db2.gz IUNVCHXIVXXOBJ-AWEZNQCLSA-N 1 0 262.353 1.657 20 10 CDCDRO O[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000252703473 845519696 /nfs/dbraw/zinc/51/96/96/845519696.db2.gz KAXVQMUNSGATPG-JCNLHEQBSA-N 1 0 290.407 1.916 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC000922220948 845539650 /nfs/dbraw/zinc/53/96/50/845539650.db2.gz DJEKJNWRBCXIQY-AWEZNQCLSA-N 1 0 288.391 1.970 20 10 CDCDRO CN1CC[C@H](N2CCCc3cc(C[NH3+])ccc32)C1=O ZINC000700969369 845557632 /nfs/dbraw/zinc/55/76/32/845557632.db2.gz LVQKYGMSAQXAHU-AWEZNQCLSA-N 1 0 259.353 1.129 20 10 CDCDRO C[C@@H](CNC(=O)NCCc1ccc(N)cc1)[N@H+](C)C1CC1 ZINC000841791477 845672919 /nfs/dbraw/zinc/67/29/19/845672919.db2.gz XXUCGIKCXDLWTO-LBPRGKRZSA-N 1 0 290.411 1.593 20 10 CDCDRO CCn1nccc1C[NH2+]Cc1ccc(OC)cc1O ZINC000793387588 845700791 /nfs/dbraw/zinc/70/07/91/845700791.db2.gz IDVYRYSYHISQHI-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1F ZINC000858300720 845718133 /nfs/dbraw/zinc/71/81/33/845718133.db2.gz MSYMVNDEBJCDTE-GDBMZVCRSA-N 1 0 296.386 1.911 20 10 CDCDRO CCOc1cccc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000252685367 845739940 /nfs/dbraw/zinc/73/99/40/845739940.db2.gz IAKWVHRIEWHOCA-SMDDNHRTSA-N 1 0 280.368 1.339 20 10 CDCDRO COc1cccc(C[NH+]2CCC(O)(C(F)F)CC2)c1O ZINC000779207319 845746155 /nfs/dbraw/zinc/74/61/55/845746155.db2.gz QNZGFNKWZQFMOZ-UHFFFAOYSA-N 1 0 287.306 1.993 20 10 CDCDRO COc1cc(O)c(CN(C)C[C@@H](C)[NH3+])cc1OC ZINC000863651379 845845033 /nfs/dbraw/zinc/84/50/33/845845033.db2.gz HLGJZLRNAFVMJU-SECBINFHSA-N 1 0 254.330 1.188 20 10 CDCDRO CCOCCOCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922940307 845898789 /nfs/dbraw/zinc/89/87/89/845898789.db2.gz CUTDXOCQAKRTEY-UHFFFAOYSA-N 1 0 265.353 1.764 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c(O)c1 ZINC000788593177 845910998 /nfs/dbraw/zinc/91/09/98/845910998.db2.gz FUDIBJIWDKGHQO-QWHCGFSZSA-N 1 0 266.385 1.582 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000788536533 845983841 /nfs/dbraw/zinc/98/38/41/845983841.db2.gz PUEFYAHZRJNOHT-YGRLFVJLSA-N 1 0 267.325 1.030 20 10 CDCDRO CO[C@H](C)CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832285763 846040528 /nfs/dbraw/zinc/04/05/28/846040528.db2.gz UCYHNZRDJYDZIE-DOMZBBRYSA-N 1 0 293.411 1.684 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000858549475 846057499 /nfs/dbraw/zinc/05/74/99/846057499.db2.gz XHYMRHQKIMRXLS-WMLDXEAASA-N 1 0 291.439 1.860 20 10 CDCDRO [NH3+][C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000841858308 846079874 /nfs/dbraw/zinc/07/98/74/846079874.db2.gz WUMRQXIVKOIYCN-VIFPVBQESA-N 1 0 286.426 1.368 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1 ZINC000089752074 846119076 /nfs/dbraw/zinc/11/90/76/846119076.db2.gz RDTRPYAQZIMGHC-MFKMUULPSA-N 1 0 275.352 1.208 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c(O)c1 ZINC000876722286 846284849 /nfs/dbraw/zinc/28/48/49/846284849.db2.gz YZHWVAMFJICRPN-CQSZACIVSA-N 1 0 265.353 1.674 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(O)c2O)C1 ZINC000838149079 846318726 /nfs/dbraw/zinc/31/87/26/846318726.db2.gz VZBDGKVXTHQZNJ-NSHDSACASA-N 1 0 278.352 1.560 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)C2(CO)CC2)cc1OC ZINC000826990861 846386538 /nfs/dbraw/zinc/38/65/38/846386538.db2.gz OVKPMDMLFNKZED-JTQLQIEISA-N 1 0 281.352 1.660 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)[C@H](C)O)cc1 ZINC000929185736 846472406 /nfs/dbraw/zinc/47/24/06/846472406.db2.gz YEOXZYPRYBLPHX-BBRMVZONSA-N 1 0 280.412 1.706 20 10 CDCDRO Cc1cc(O)c(CN2CC[NH+](CCO)CC2)cc1Cl ZINC000824473477 846556109 /nfs/dbraw/zinc/55/61/09/846556109.db2.gz ANHOJDVVKSRDDJ-UHFFFAOYSA-N 1 0 284.787 1.464 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841760301 846579969 /nfs/dbraw/zinc/57/99/69/846579969.db2.gz UJYZZIJQXFTNSZ-CQSZACIVSA-N 1 0 290.411 1.606 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835072670 846584212 /nfs/dbraw/zinc/58/42/12/846584212.db2.gz HWMHUQKOBNGCQU-KGLIPLIRSA-N 1 0 274.364 1.944 20 10 CDCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000219438248 846627464 /nfs/dbraw/zinc/62/74/64/846627464.db2.gz NBAKZHQUWANCFS-LLVKDONJSA-N 1 0 261.243 1.634 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000841653171 846635735 /nfs/dbraw/zinc/63/57/35/846635735.db2.gz HQDQERSUDNHPRN-UHFFFAOYSA-N 1 0 290.411 1.775 20 10 CDCDRO CCOCC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000846745424 846812518 /nfs/dbraw/zinc/81/25/18/846812518.db2.gz GWQFJBZHPVPDBD-UHFFFAOYSA-N 1 0 294.395 1.862 20 10 CDCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000777219934 846822087 /nfs/dbraw/zinc/82/20/87/846822087.db2.gz OHTFBGRSILLOPY-CABCVRRESA-N 1 0 295.379 1.611 20 10 CDCDRO CCCNC(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311852388 846854639 /nfs/dbraw/zinc/85/46/39/846854639.db2.gz JGJHXGWCTHXLBH-LBPRGKRZSA-N 1 0 262.353 1.885 20 10 CDCDRO COCC1(C(=O)N(C)c2ccc(N)cc2)CC[NH2+]CC1 ZINC000877077797 846908597 /nfs/dbraw/zinc/90/85/97/846908597.db2.gz UTQPSOJBIPJNDW-UHFFFAOYSA-N 1 0 277.368 1.248 20 10 CDCDRO C[C@H](CC(=O)NCCc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000237638902 846967535 /nfs/dbraw/zinc/96/75/35/846967535.db2.gz QOWVEISVJWVWHU-HIFRSBDPSA-N 1 0 289.423 1.953 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000841881990 847013194 /nfs/dbraw/zinc/01/31/94/847013194.db2.gz FXUMAISXNNEFRA-TZMCWYRMSA-N 1 0 290.411 1.865 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nc1 ZINC000884011106 847022970 /nfs/dbraw/zinc/02/29/70/847022970.db2.gz UBSSTAQNEDXOBL-OAHLLOKOSA-N 1 0 298.390 1.886 20 10 CDCDRO COc1cc(C[NH2+]CCO)c(O)c(C(C)(C)C)c1 ZINC000850011423 847067859 /nfs/dbraw/zinc/06/78/59/847067859.db2.gz SESNQYLWAHOTJR-UHFFFAOYSA-N 1 0 253.342 1.780 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccccn1 ZINC000866659634 847179987 /nfs/dbraw/zinc/17/99/87/847179987.db2.gz QBQWMWAZFGZBJW-UHFFFAOYSA-N 1 0 296.374 1.932 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000842722203 847265636 /nfs/dbraw/zinc/26/56/36/847265636.db2.gz ZXVXDOYMRCPTLN-GFCCVEGCSA-N 1 0 292.379 1.890 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000830865548 847284162 /nfs/dbraw/zinc/28/41/62/847284162.db2.gz NYVJCDMIACWOTR-ZFWWWQNUSA-N 1 0 292.379 1.108 20 10 CDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000776812586 847299242 /nfs/dbraw/zinc/29/92/42/847299242.db2.gz LIPDTFILXYFFGE-GOEBONIOSA-N 1 0 295.379 1.611 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000846137637 847453882 /nfs/dbraw/zinc/45/38/82/847453882.db2.gz VGFXOSNGYDPMBP-WDEREUQCSA-N 1 0 299.392 1.486 20 10 CDCDRO COCCNCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000841048190 847469311 /nfs/dbraw/zinc/46/93/11/847469311.db2.gz MSIMAGTZOPNSST-UHFFFAOYSA-N 1 0 252.358 1.335 20 10 CDCDRO CNC(=O)C1([NH2+]Cc2cc(C)ccc2O)CCCC1 ZINC000779176933 847485236 /nfs/dbraw/zinc/48/52/36/847485236.db2.gz UXMBEFCOAKKAHN-UHFFFAOYSA-N 1 0 262.353 1.849 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000248422068 847610939 /nfs/dbraw/zinc/61/09/39/847610939.db2.gz YLSPQQVSTZXOFB-RYUDHWBXSA-N 1 0 265.353 1.994 20 10 CDCDRO Oc1ccc(Cl)cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312416411 847637637 /nfs/dbraw/zinc/63/76/37/847637637.db2.gz SMJHOJIEKQKFQA-AWEZNQCLSA-N 1 0 295.814 1.525 20 10 CDCDRO Cc1ccc(C[NH2+]CCC2(C)OCCO2)c(O)c1 ZINC000877347319 847700744 /nfs/dbraw/zinc/70/07/44/847700744.db2.gz UAYWECXCUWTUNV-UHFFFAOYSA-N 1 0 251.326 1.943 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H](CO)COC)cc1C ZINC000873117739 847835182 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Cc1cccc(O)c1C[N@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001274303726 931489220 /nfs/dbraw/zinc/48/92/20/931489220.db2.gz LFIAWSBOSVHCEM-MRXNPFEDSA-N 1 0 274.364 1.755 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CC[C@]1(C)O ZINC001144499428 931858053 /nfs/dbraw/zinc/85/80/53/931858053.db2.gz GJHXGDVBDFIGNS-BONVTDFDSA-N 1 0 281.352 1.786 20 10 CDCDRO COc1ccc(C[N@@H+]2CCN(C(C)=O)[C@H](C)C2)c(O)c1 ZINC001203634742 939698964 /nfs/dbraw/zinc/69/89/64/939698964.db2.gz TYXYMMBZVIGKGA-LLVKDONJSA-N 1 0 278.352 1.453 20 10 CDCDRO Oc1ccc(Cl)cc1C[N@H+]1CCc2nncn2CC1 ZINC001203650762 939699721 /nfs/dbraw/zinc/69/97/21/939699721.db2.gz APLLNYJOOPZIMY-UHFFFAOYSA-N 1 0 278.743 1.695 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1 ZINC001203670343 939700357 /nfs/dbraw/zinc/70/03/57/939700357.db2.gz OIQNWZYFFCCYBW-GXTWGEPZSA-N 1 0 269.316 1.696 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1 ZINC001203670386 939700640 /nfs/dbraw/zinc/70/06/40/939700640.db2.gz QEDMXTHHYLATLP-XHDPSFHLSA-N 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LNAXCEUCYREPBV-HOCLYGCPSA-N 1 0 276.380 1.072 20 10 CDCDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946986 939958795 /nfs/dbraw/zinc/95/87/95/939958795.db2.gz UXZLXOJBIIPPAF-HZPDHXFCSA-N 1 0 277.412 1.427 20 10 CDCDRO [NH3+]C[C@]1(F)CCCCN(Cc2ccc(O)cc2O)C1 ZINC001206342730 940022371 /nfs/dbraw/zinc/02/23/71/940022371.db2.gz ATAHYCQHCWOKKE-CQSZACIVSA-N 1 0 268.332 1.751 20 10 CDCDRO [NH3+]C[C@]1(F)CCCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001206372241 940028524 /nfs/dbraw/zinc/02/85/24/940028524.db2.gz ZBGWHMKAIWGUAR-CQSZACIVSA-N 1 0 284.331 1.456 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206475431 940045640 /nfs/dbraw/zinc/04/56/40/940045640.db2.gz OOPDHGOWWZUWPW-SMDDNHRTSA-N 1 0 283.803 1.157 20 10 CDCDRO COC(=O)[C@@H]1CCCCN1Cc1ccc(OC)cc1O ZINC000179807213 940833914 /nfs/dbraw/zinc/83/39/14/940833914.db2.gz ILYZKNSWZZCIOH-ZDUSSCGKSA-N 1 0 279.336 1.928 20 10 CDCDRO O=c1cc2[nH]cnc(O[C@@H]3C[NH2+]CCC3(F)F)c-2cc1O ZINC001218453143 941219963 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CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cc(Cl)c(C)cc1O ZINC001237172231 944673115 /nfs/dbraw/zinc/67/31/15/944673115.db2.gz DZHSEFGIBAFFFE-JSGCOSHPSA-N 1 0 284.787 1.773 20 10 CDCDRO COc1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(O)c1O ZINC001237384793 944740051 /nfs/dbraw/zinc/74/00/51/944740051.db2.gz YOEFYQNBHBABAE-CHWSQXEVSA-N 1 0 292.379 1.680 20 10 CDCDRO COc1cc(C[NH+]2CCC(O)CC2)c(O)c(OC)c1 ZINC001237675611 944921070 /nfs/dbraw/zinc/92/10/70/944921070.db2.gz YRVFOGCQHUNNJY-UHFFFAOYSA-N 1 0 267.325 1.366 20 10 CDCDRO COc1ccc(N2CCN([C@@H]3CC[N@H+](C)C3)CC2)c(C)c1 ZINC001255440862 947898757 /nfs/dbraw/zinc/89/87/57/947898757.db2.gz IDOOTSIJYMCDGK-OAHLLOKOSA-N 1 0 289.423 1.830 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC001249172423 949438858 /nfs/dbraw/zinc/43/88/58/949438858.db2.gz MJKWYDLGBNQQAW-ZDUSSCGKSA-N 1 0 293.363 1.312 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001249208572 949458561 /nfs/dbraw/zinc/45/85/61/949458561.db2.gz WXBBAYYWNUYHSZ-ZSOGYDGISA-N 1 0 293.338 1.755 20 10 CDCDRO CCCCOC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001252528641 951412983 /nfs/dbraw/zinc/41/29/83/951412983.db2.gz YIMQVQKJFNLQKZ-GFCCVEGCSA-N 1 0 299.367 1.113 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H](O)COC(C)C)c1O ZINC001252699801 951598420 /nfs/dbraw/zinc/59/84/20/951598420.db2.gz PKNUJLCYTBDTRX-ZDUSSCGKSA-N 1 0 253.342 1.576 20 10 CDCDRO CCOC(=O)C[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001253811180 952131833 /nfs/dbraw/zinc/13/18/33/952131833.db2.gz TYEYFVVPTMMMQY-ZDUSSCGKSA-N 1 0 281.352 1.407 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001327480712 954900320 /nfs/dbraw/zinc/90/03/20/954900320.db2.gz MVIQJCAFENKAQK-STQMWFEESA-N 1 0 292.427 1.968 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)N(C)Cc1ccccc1O ZINC001328725107 955443594 /nfs/dbraw/zinc/44/35/94/955443594.db2.gz LPLHKWYOZWZOAC-NSHDSACASA-N 1 0 265.357 1.532 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)C[S@@](C)=O)cc1OC ZINC001308636104 956555704 /nfs/dbraw/zinc/55/57/04/956555704.db2.gz YLNCLTQKRKCGNP-AYLIAGHASA-N 1 0 287.381 1.266 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001337070641 960913135 /nfs/dbraw/zinc/91/31/35/960913135.db2.gz VATQLYICSHTOEK-UHFFFAOYSA-N 1 0 288.395 1.554 20 10 CDCDRO C[C@H]([NH2+]CCN1CCC(CO)CC1)c1cc(F)ccc1O ZINC001342388700 963729023 /nfs/dbraw/zinc/72/90/23/963729023.db2.gz BWWMTLVFJBWATF-LBPRGKRZSA-N 1 0 296.386 1.886 20 10 CDCDRO Nc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC001345160790 964610733 /nfs/dbraw/zinc/61/07/33/964610733.db2.gz YZJOSXKXULZFCT-UHFFFAOYSA-N 1 0 259.353 1.371 20 10 CDCDRO CNC(=S)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001200617000 968596771 /nfs/dbraw/zinc/59/67/71/968596771.db2.gz CEQBEMNXJBANEH-UHFFFAOYSA-N 1 0 279.409 1.451 20 10 CDCDRO Cn1cc(/C=C/C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cn1 ZINC001354511510 968748415 /nfs/dbraw/zinc/74/84/15/968748415.db2.gz GKAZDCXDEFSTFU-PSKZRQQASA-N 1 0 296.374 1.913 20 10 CDCDRO Nc1ccc(CNC(=O)[C@H]([NH3+])C2CCCCC2)cc1 ZINC001356238915 969362427 /nfs/dbraw/zinc/36/24/27/969362427.db2.gz MGTYWCNCSKCDAO-CQSZACIVSA-N 1 0 261.369 1.793 20 10 CDCDRO CC(=O)c1cc(F)cc(CN[C@@H](C[NH3+])C(F)(F)F)c1O ZINC001575033584 1171089598 /nfs/dbraw/zinc/08/95/98/1171089598.db2.gz SCQCULJBLKTAGC-JTQLQIEISA-N 1 0 294.248 1.713 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC000092455759 342412424 /nfs/dbraw/zinc/41/24/24/342412424.db2.gz IPAOLGXINSQZSH-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO CCC(O)(CC)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112017942 365853288 /nfs/dbraw/zinc/85/32/88/365853288.db2.gz VNRGORDCIHLACN-UHFFFAOYSA-N 1 0 267.325 1.762 20 10 CDCDRO Cc1ccc2c(n1)OCCN2C(=O)C=Cc1c[nH]cn1 ZINC000492904629 366184951 /nfs/dbraw/zinc/18/49/51/366184951.db2.gz XFDDNHGUQGUDOC-HWKANZROSA-N 1 0 270.292 1.552 20 10 CDCDRO CO[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000076266302 356954584 /nfs/dbraw/zinc/95/45/84/356954584.db2.gz WEBSCKKDSKOYJV-NSHDSACASA-N 1 0 265.309 1.732 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000180197950 357251321 /nfs/dbraw/zinc/25/13/21/357251321.db2.gz MSVSBUWKYYTSHW-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO CC(=O)N1CC[N@H+](Cc2cc(C)ccc2O)[C@@H](C)C1 ZINC000271186961 364966146 /nfs/dbraw/zinc/96/61/46/364966146.db2.gz NKTXRNIDNWNEMD-LBPRGKRZSA-N 1 0 262.353 1.753 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Cl)ccc1O ZINC000273610931 365511900 /nfs/dbraw/zinc/51/19/00/365511900.db2.gz VTWVESFEYFFBDP-AAEUAGOBSA-N 1 0 297.830 1.942 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000273460907 365497912 /nfs/dbraw/zinc/49/79/12/365497912.db2.gz CQWVZAXEUSOEDU-ZUZCIYMTSA-N 1 0 291.351 1.519 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(Cl)ccc1O ZINC000530226377 368151432 /nfs/dbraw/zinc/15/14/32/368151432.db2.gz OWVINMBZQYCJSM-MWLCHTKSSA-N 1 0 270.760 1.685 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000274128632 371188412 /nfs/dbraw/zinc/18/84/12/371188412.db2.gz OPBSTEWRVJVGGE-CYBMUJFWSA-N 1 0 283.393 1.710 20 10 CDCDRO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296189307 371413672 /nfs/dbraw/zinc/41/36/72/371413672.db2.gz YKZMHUYHMBHEFV-YPMHNXCESA-N 1 0 274.364 1.980 20 10 CDCDRO CNC(=O)C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000297384408 371986539 /nfs/dbraw/zinc/98/65/39/371986539.db2.gz JWJHBTYAWUDLJY-UHFFFAOYSA-N 1 0 287.407 1.855 20 10 CDCDRO CC[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+](C)C ZINC000298663273 372227405 /nfs/dbraw/zinc/22/74/05/372227405.db2.gz SYQBODPYQKVBRN-ZDUSSCGKSA-N 1 0 291.395 1.818 20 10 CDCDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C[NH+](C)C ZINC000293714985 378585798 /nfs/dbraw/zinc/58/57/98/378585798.db2.gz JJWRQOIQPWFJPM-OKPNEXGHSA-N 1 0 278.352 1.425 20 10 CDCDRO COC[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133719409 390937491 /nfs/dbraw/zinc/93/74/91/390937491.db2.gz RPFJPRYPGOACQI-AWEZNQCLSA-N 1 0 278.396 1.990 20 10 CDCDRO CCOc1cccc(C[NH+](CCOC)CCOC)c1O ZINC000133419150 390902872 /nfs/dbraw/zinc/90/28/72/390902872.db2.gz HJGCMIWWOWEILO-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000124817102 391227042 /nfs/dbraw/zinc/22/70/42/391227042.db2.gz GROVLMBEKRFLSG-AWEZNQCLSA-N 1 0 263.385 1.036 20 10 CDCDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1O ZINC000376412181 391229111 /nfs/dbraw/zinc/22/91/11/391229111.db2.gz HDLJYKARIUZIBJ-WCQYABFASA-N 1 0 290.363 1.797 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)CC1OCCO1 ZINC000182374260 391234234 /nfs/dbraw/zinc/23/42/34/391234234.db2.gz REHJVUDAZREXJQ-UHFFFAOYSA-N 1 0 251.326 1.977 20 10 CDCDRO CSC[C@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000182430687 391235184 /nfs/dbraw/zinc/23/51/84/391235184.db2.gz WEFHFZFENFCGCO-CYBMUJFWSA-N 1 0 255.383 1.904 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179578971 391212586 /nfs/dbraw/zinc/21/25/86/391212586.db2.gz KVGYASHYMKFKDR-AWEZNQCLSA-N 1 0 265.353 1.674 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000183374632 391262940 /nfs/dbraw/zinc/26/29/40/391262940.db2.gz NSOCVCBWXRFKIO-JTQLQIEISA-N 1 0 294.351 1.107 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000195008185 391373897 /nfs/dbraw/zinc/37/38/97/391373897.db2.gz RBTOWCASOPMXHD-PELKAZGASA-N 1 0 298.770 1.668 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372371268 391850601 /nfs/dbraw/zinc/85/06/01/391850601.db2.gz WIQCGHMTWUWNSU-GFCCVEGCSA-N 1 0 274.324 1.439 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cn(C)nc2C)c1O ZINC000020352697 171156552 /nfs/dbraw/zinc/15/65/52/171156552.db2.gz IUXVJNXLSSHXCU-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCCN2CCOCC2)c1 ZINC000071406594 176155729 /nfs/dbraw/zinc/15/57/29/176155729.db2.gz LBSNLQWQWPFPLJ-UHFFFAOYSA-N 1 0 264.369 1.513 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(N)cc1 ZINC000092621284 260271219 /nfs/dbraw/zinc/27/12/19/260271219.db2.gz IQNWLRGCEVDCMW-HNNXBMFYSA-N 1 0 275.396 1.754 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c(O)c1 ZINC000186178332 262083470 /nfs/dbraw/zinc/08/34/70/262083470.db2.gz ZHKCYZROLNUMLE-FZMZJTMJSA-N 1 0 251.326 1.503 20 10 CDCDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000186530707 262097593 /nfs/dbraw/zinc/09/75/93/262097593.db2.gz CFPPDKRRGKLTRJ-AAOUONPWSA-N 1 0 251.326 1.818 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[C@H](O)C1)OCO2 ZINC000188797462 264250521 /nfs/dbraw/zinc/25/05/21/264250521.db2.gz OTNZEVLVQHBULE-KOLCDFICSA-N 1 0 265.309 1.372 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)CC2 ZINC000295778147 280454521 /nfs/dbraw/zinc/45/45/21/280454521.db2.gz ARMIHTQVEFOXOY-WCBMZHEXSA-N 1 0 261.243 1.892 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@@]2(O)CCOC2)c(O)c1 ZINC000179028413 327798087 /nfs/dbraw/zinc/79/80/87/327798087.db2.gz IFVNAHBKJOBQHB-HNNXBMFYSA-N 1 0 281.352 1.422 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816553 329030315 /nfs/dbraw/zinc/03/03/15/329030315.db2.gz IJRSWUNPJWOGNB-LSDHHAIUSA-N 1 0 288.391 1.986 20 10 CDCDRO COc1cccc(C[NH+]2CCC(CNC(C)=O)CC2)c1O ZINC000219488066 333151170 /nfs/dbraw/zinc/15/11/70/333151170.db2.gz OWYDPZBSDGYIDX-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000234966227 333363451 /nfs/dbraw/zinc/36/34/51/333363451.db2.gz UHDWHLCTJYOKHJ-CQSZACIVSA-N 1 0 264.325 1.098 20 10 CDCDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617118 519709084 /nfs/dbraw/zinc/70/90/84/519709084.db2.gz RCGRVJUZYQAUMN-SECBINFHSA-N 1 0 254.305 1.707 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000188501348 520215448 /nfs/dbraw/zinc/21/54/48/520215448.db2.gz UDTAXLMLRLNFGU-MNOVXSKESA-N 1 0 280.368 1.918 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278194994 521871994 /nfs/dbraw/zinc/87/19/94/521871994.db2.gz IMSFCEJQARYUSB-JTQLQIEISA-N 1 0 296.323 1.920 20 10 CDCDRO COc1c(O)c(C[NH2+]CC2(C)OCCO2)ccc1[N+](=O)[O-] ZINC000278465705 521874170 /nfs/dbraw/zinc/87/41/70/521874170.db2.gz GFSCYPQGDQYQSH-UHFFFAOYSA-N 1 0 298.295 1.162 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083552358 523603767 /nfs/dbraw/zinc/60/37/67/523603767.db2.gz KYXRNOFFACGJIW-UHFFFAOYSA-N 1 0 272.776 1.713 20 10 CDCDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(O)c3O)[C@H]2C1 ZINC000279891809 523990527 /nfs/dbraw/zinc/99/05/27/523990527.db2.gz SUOFWVGCOWUDMQ-JQWIXIFHSA-N 1 0 276.336 1.264 20 10 CDCDRO CNC(=O)CN1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000158102942 524072241 /nfs/dbraw/zinc/07/22/41/524072241.db2.gz XAAQSXIDFVGTSO-UHFFFAOYSA-N 1 0 291.395 1.001 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000289537605 524410446 /nfs/dbraw/zinc/41/04/46/524410446.db2.gz HWICPJDQFXMRIF-GOEBONIOSA-N 1 0 290.407 1.996 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1 ZINC000279791483 524749443 /nfs/dbraw/zinc/74/94/43/524749443.db2.gz MJWJNXBEENNWEH-UHFFFAOYSA-N 1 0 299.392 1.458 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000227965288 525348140 /nfs/dbraw/zinc/34/81/40/525348140.db2.gz JYZSUHVGTPFEIC-FZMZJTMJSA-N 1 0 251.326 1.330 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCN2CCCOCC2)c1 ZINC000289434961 525350516 /nfs/dbraw/zinc/35/05/16/525350516.db2.gz LFWZUJQSRRRQLP-UHFFFAOYSA-N 1 0 264.369 1.513 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800931 525360093 /nfs/dbraw/zinc/36/00/93/525360093.db2.gz ROCNVGCTTHTGLE-ZIAGYGMSSA-N 1 0 277.412 1.597 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(F)ccc1O ZINC000094618237 525398812 /nfs/dbraw/zinc/39/88/12/525398812.db2.gz DDGDQEYVHYGYTN-WCQYABFASA-N 1 0 281.375 1.428 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c(O)c1 ZINC000068800527 525732040 /nfs/dbraw/zinc/73/20/40/525732040.db2.gz KPPGIUKOZPLNFD-KGLIPLIRSA-N 1 0 277.412 1.597 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1O ZINC000234980256 525951863 /nfs/dbraw/zinc/95/18/63/525951863.db2.gz LLDCHIQAKPPJHH-AWEZNQCLSA-N 1 0 264.325 1.098 20 10 CDCDRO COc1cccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1O ZINC000141900933 525955878 /nfs/dbraw/zinc/95/58/78/525955878.db2.gz ZAYJVDOWRNTVIM-TXEJJXNPSA-N 1 0 264.369 1.925 20 10 CDCDRO COc1cccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000279746863 526014736 /nfs/dbraw/zinc/01/47/36/526014736.db2.gz YCRSYXNMMDOODO-UHFFFAOYSA-N 1 0 285.365 1.068 20 10 CDCDRO Cn1ncc(CCC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000292893333 527567909 /nfs/dbraw/zinc/56/79/09/527567909.db2.gz GBCBPEAOFORRPI-UHFFFAOYSA-N 1 0 280.759 1.897 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1ccc(OCC)cc1O ZINC000725841790 574442960 /nfs/dbraw/zinc/44/29/60/574442960.db2.gz NMIRFEGKFRHRQW-UHFFFAOYSA-N 1 0 252.314 1.017 20 10 CDCDRO C=CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000115289190 1174930236 /nfs/dbraw/zinc/93/02/36/1174930236.db2.gz GMXXOEZYFCCZJY-UHFFFAOYSA-N 1 0 259.353 1.241 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734271672 575334195 /nfs/dbraw/zinc/33/41/95/575334195.db2.gz DOULMVNMCAQPST-GFCCVEGCSA-N 1 0 275.352 1.428 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC(C)(C)O1 ZINC000768441524 576282477 /nfs/dbraw/zinc/28/24/77/576282477.db2.gz DBSYLOXVBRPXTE-HZMBPMFUSA-N 1 0 293.363 1.817 20 10 CDCDRO COC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768446398 576284115 /nfs/dbraw/zinc/28/41/15/576284115.db2.gz JZYYUDAOBIQNQW-XHDPSFHLSA-N 1 0 293.363 1.676 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C ZINC000768466178 576288069 /nfs/dbraw/zinc/28/80/69/576288069.db2.gz NNJQNTMWYVGSAQ-RBZYPMLTSA-N 1 0 263.337 1.906 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(NC(C)=O)CC1 ZINC000769191685 576336917 /nfs/dbraw/zinc/33/69/17/576336917.db2.gz BJXAVLDIQXHCTP-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000761216498 576560446 /nfs/dbraw/zinc/56/04/46/576560446.db2.gz ZGRLDMMVTADCCR-UHFFFAOYSA-N 1 0 279.336 1.740 20 10 CDCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322741 576905713 /nfs/dbraw/zinc/90/57/13/576905713.db2.gz UHLYWQUPTKYMJU-KOLCDFICSA-N 1 0 268.382 1.866 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1C ZINC000756992592 577019164 /nfs/dbraw/zinc/01/91/64/577019164.db2.gz SMPBQIKOEBCTQQ-AWEZNQCLSA-N 1 0 275.352 1.560 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(C)c1O ZINC000757926332 577061103 /nfs/dbraw/zinc/06/11/03/577061103.db2.gz LIFXZIZWYBHJFV-HNNXBMFYSA-N 1 0 281.352 1.758 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000806819245 617361660 /nfs/dbraw/zinc/36/16/60/617361660.db2.gz CCJQYPFFOYKKIL-ZDUSSCGKSA-N 1 0 292.427 1.810 20 10 CDCDRO CCN(C(=O)NCCc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC000892038169 617430330 /nfs/dbraw/zinc/43/03/30/617430330.db2.gz AVNZNUQLUBOHCS-AWEZNQCLSA-N 1 0 276.384 1.205 20 10 CDCDRO COc1ccc(C[N@H+](C)CC[C@H](C)O)c(O)c1OC ZINC000892065645 617457450 /nfs/dbraw/zinc/45/74/50/617457450.db2.gz OQJQMTJKXOTXJB-JTQLQIEISA-N 1 0 269.341 1.612 20 10 CDCDRO COc1ccc(C[NH2+][C@@]2(C)CCOC2)c(O)c1OC ZINC000893242074 617484754 /nfs/dbraw/zinc/48/47/54/617484754.db2.gz UGYQBAPIHIDEPJ-AWEZNQCLSA-N 1 0 267.325 1.678 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O ZINC000892294542 617708547 /nfs/dbraw/zinc/70/85/47/617708547.db2.gz ZZYMQTAAWCSANS-IJLUTSLNSA-N 1 0 277.368 1.893 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892800658 617767001 /nfs/dbraw/zinc/76/70/01/617767001.db2.gz HQUZSIWGBVJIAB-UHFFFAOYSA-N 1 0 298.383 1.077 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1F ZINC000840963677 617849107 /nfs/dbraw/zinc/84/91/07/617849107.db2.gz SGNYJZNDOHNCSX-ZFWWWQNUSA-N 1 0 296.386 1.769 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](C)CCO)c(O)c1OC ZINC000893081392 618136952 /nfs/dbraw/zinc/13/69/52/618136952.db2.gz CXGYUBQCAWLVOH-SNVBAGLBSA-N 1 0 269.341 1.518 20 10 CDCDRO Oc1ccccc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922623163 618313277 /nfs/dbraw/zinc/31/32/77/618313277.db2.gz HQSHUCKCQFXNTB-UHFFFAOYSA-N 1 0 293.363 1.530 20 10 CDCDRO CC[S@](=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894259902 618316082 /nfs/dbraw/zinc/31/60/82/618316082.db2.gz IDMBPEUGIPOGRD-SFHVURJKSA-N 1 0 271.382 1.567 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)CC[NH3+] ZINC000841825573 618437850 /nfs/dbraw/zinc/43/78/50/618437850.db2.gz AENVSSLHJXWHKO-GFCCVEGCSA-N 1 0 278.400 1.598 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000894166573 618645297 /nfs/dbraw/zinc/64/52/97/618645297.db2.gz YJUZLHQFOYQKOB-NSHDSACASA-N 1 0 299.392 1.234 20 10 CDCDRO Fc1cc(C[NH2+]Cc2cnc[nH]2)ccc1N1CCOCC1 ZINC000894193505 618680118 /nfs/dbraw/zinc/68/01/18/618680118.db2.gz QZFSTVHCHHHLFK-UHFFFAOYSA-N 1 0 290.342 1.675 20 10 CDCDRO COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1(F)F ZINC000894213680 618728900 /nfs/dbraw/zinc/72/89/00/618728900.db2.gz PKACJZJUKLUENS-YPMHNXCESA-N 1 0 297.301 1.765 20 10 CDCDRO COc1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c(O)c1OC ZINC000894788679 619061097 /nfs/dbraw/zinc/06/10/97/619061097.db2.gz WCWPALSAYBVUIQ-CMPLNLGQSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)c(O)c1OC ZINC000894865014 619108493 /nfs/dbraw/zinc/10/84/93/619108493.db2.gz CQJCXFHYDBRDDB-SNVBAGLBSA-N 1 0 291.351 1.994 20 10 CDCDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000895316055 619546594 /nfs/dbraw/zinc/54/65/94/619546594.db2.gz HJLZMRUWKMYGPQ-CYBMUJFWSA-N 1 0 260.337 1.236 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1Cl ZINC000895321669 619555831 /nfs/dbraw/zinc/55/58/31/619555831.db2.gz OSPMUCGPODINBK-LBPRGKRZSA-N 1 0 282.771 1.968 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000895323222 619556530 /nfs/dbraw/zinc/55/65/30/619556530.db2.gz AWZVWNBYUMAOPL-WFASDCNBSA-N 1 0 281.352 1.027 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000895327952 619564862 /nfs/dbraw/zinc/56/48/62/619564862.db2.gz FGVHGVYFYZYOIW-WFASDCNBSA-N 1 0 281.352 1.109 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c(O)c1 ZINC000895749388 619821550 /nfs/dbraw/zinc/82/15/50/619821550.db2.gz QSKIHHPCBGPFBR-KBPBESRZSA-N 1 0 265.353 1.720 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCC[NH2+]C1CC1 ZINC000841928783 620567558 /nfs/dbraw/zinc/56/75/58/620567558.db2.gz BNCTVQIPDLWCIH-UHFFFAOYSA-N 1 0 263.341 1.286 20 10 CDCDRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000841761667 621020044 /nfs/dbraw/zinc/02/00/44/621020044.db2.gz RCGYBTRTDDLKOH-LBPRGKRZSA-N 1 0 294.374 1.395 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1ccc(C)cc1O ZINC000897709697 621082653 /nfs/dbraw/zinc/08/26/53/621082653.db2.gz RKVGBKIOZSUUJO-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO C[C@@H]1COC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448815 625999914 /nfs/dbraw/zinc/99/99/14/625999914.db2.gz TWRUJYZRYXXJTK-KBRIMQKVSA-N 1 0 291.439 1.980 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[NH3+])cc1F ZINC000841798380 626030279 /nfs/dbraw/zinc/03/02/79/626030279.db2.gz HBMOXSSDVIRWIV-NSHDSACASA-N 1 0 296.390 1.818 20 10 CDCDRO COc1cccc(CN[C@@H](CC[NH3+])C(F)(F)F)c1O ZINC000841090837 628705300 /nfs/dbraw/zinc/70/53/00/628705300.db2.gz NLPZSQNRRHLCIB-JTQLQIEISA-N 1 0 278.274 1.770 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000044990698 630566464 /nfs/dbraw/zinc/56/64/64/630566464.db2.gz ZBBXULKSRYODBQ-UHFFFAOYSA-N 1 0 287.157 1.380 20 10 CDCDRO COc1cc(C)cc(CN2CCN(C(C)=O)CC2)c1O ZINC000915790476 631817190 /nfs/dbraw/zinc/81/71/90/631817190.db2.gz GMSFVHHPOHTPDI-UHFFFAOYSA-N 1 0 278.352 1.373 20 10 CDCDRO C[NH+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154406794 632219458 /nfs/dbraw/zinc/21/94/58/632219458.db2.gz XNTRZDVHUMNBTF-UHFFFAOYSA-N 1 0 293.386 1.410 20 10 CDCDRO COc1cc(Cl)cc(CN2CC(C)([NH3+])C2)c1O ZINC001204986389 1160252769 /nfs/dbraw/zinc/25/27/69/1160252769.db2.gz WUIHBMXUJTWPBG-UHFFFAOYSA-N 1 0 256.733 1.587 20 10 CDCDRO CN(C)c1ccc(/C=C/CNC[C@@]2(O)CC[NH2+]C2)cc1 ZINC001578425861 1171905873 /nfs/dbraw/zinc/90/58/73/1171905873.db2.gz PPCYEJATVQIHQD-CWDCEQMOSA-N 1 0 275.396 1.080 20 10 CDCDRO COc1ccc(CNC2(CO)CC[NH2+]CC2)cc1C ZINC001579216528 1172118058 /nfs/dbraw/zinc/11/80/58/1172118058.db2.gz YMQNRNUPIJNFGY-UHFFFAOYSA-N 1 0 264.369 1.208 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC001579723469 1172247020 /nfs/dbraw/zinc/24/70/20/1172247020.db2.gz BTWHWZCARPEGDX-ZDUSSCGKSA-N 1 0 277.368 1.642 20 10 CDCDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001580175913 1172369350 /nfs/dbraw/zinc/36/93/50/1172369350.db2.gz JTTNVVUOIDWYMA-FRRDWIJNSA-N 1 0 290.363 1.226 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000221109562 1177914936 /nfs/dbraw/zinc/91/49/36/1177914936.db2.gz BRGDNWQKCXRMDC-GHMZBOCLSA-N 1 0 298.408 1.388 20 10 CDCDRO COc1ccc(CN2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000156073602 1178172001 /nfs/dbraw/zinc/17/20/01/1178172001.db2.gz YFJYYJWNTBFRHU-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000782980409 697766618 /nfs/dbraw/zinc/76/66/18/697766618.db2.gz SDEHBVNAMVXWHQ-QWHCGFSZSA-N 1 0 296.386 1.911 20 10 CDCDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000858252493 697809671 /nfs/dbraw/zinc/80/96/71/697809671.db2.gz JAOGMZBIBVTGKX-CHWSQXEVSA-N 1 0 298.408 1.342 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1Cl ZINC000825731148 697811319 /nfs/dbraw/zinc/81/13/19/697811319.db2.gz DANCZWAWPZHDBQ-QMTHXVAHSA-N 1 0 285.771 1.984 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000840975451 697894333 /nfs/dbraw/zinc/89/43/33/697894333.db2.gz NVQYXOJZFMZIDH-NVXWUHKLSA-N 1 0 292.423 1.708 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816480731 697907075 /nfs/dbraw/zinc/90/70/75/697907075.db2.gz VDBWQXQWYGUYAT-CYBMUJFWSA-N 1 0 270.332 1.853 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000394590189 697942815 /nfs/dbraw/zinc/94/28/15/697942815.db2.gz IDZKMTRLWNKBOY-BXUZGUMPSA-N 1 0 253.342 1.749 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1C ZINC000840974880 697943828 /nfs/dbraw/zinc/94/38/28/697943828.db2.gz JAGLFJHEMQUCME-UONOGXRCSA-N 1 0 265.353 1.184 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825292609 697968286 /nfs/dbraw/zinc/96/82/86/697968286.db2.gz ZKOVSIIGTTYWKY-LLVKDONJSA-N 1 0 273.760 1.841 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)CS(C)(=O)=O)c1 ZINC000391457178 697984623 /nfs/dbraw/zinc/98/46/23/697984623.db2.gz KDQKWLJJDZGJII-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167295 697994068 /nfs/dbraw/zinc/99/40/68/697994068.db2.gz WNAGHVYNXYHMAV-WDEREUQCSA-N 1 0 280.368 1.918 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc1C ZINC000873131279 697999644 /nfs/dbraw/zinc/99/96/44/697999644.db2.gz RDJHBGIWCVRBNV-TZMCWYRMSA-N 1 0 267.369 1.615 20 10 CDCDRO COC(=O)c1cc(C[NH2+]Cc2cccc(OC)c2O)on1 ZINC000877526073 698004386 /nfs/dbraw/zinc/00/43/86/698004386.db2.gz PHTOWHWVSWLASQ-UHFFFAOYSA-N 1 0 292.291 1.465 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C[NH+](C)C)cc1 ZINC000846446085 698052782 /nfs/dbraw/zinc/05/27/82/698052782.db2.gz IXYWYPPYYKKLDF-UHFFFAOYSA-N 1 0 279.384 1.151 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccccc1O ZINC000838911905 698073596 /nfs/dbraw/zinc/07/35/96/698073596.db2.gz BSIAGQJKUAXLQK-AAEUAGOBSA-N 1 0 262.353 1.959 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](CO)c2cnn(C)c2)c1O ZINC000848900617 698242587 /nfs/dbraw/zinc/24/25/87/698242587.db2.gz OPCHWWZEDDURKA-AWEZNQCLSA-N 1 0 275.352 1.511 20 10 CDCDRO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1c(C)cccc1O ZINC000877529918 698303550 /nfs/dbraw/zinc/30/35/50/698303550.db2.gz ODRNIIGYBXKZBU-GFCCVEGCSA-N 1 0 279.336 1.465 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955638 698347813 /nfs/dbraw/zinc/34/78/13/698347813.db2.gz ITVQOSVHDLJPJC-HNNXBMFYSA-N 1 0 290.411 1.547 20 10 CDCDRO CN(Cc1nncn1C)Cc1c(O)ccc2ccncc21 ZINC000808214667 698421812 /nfs/dbraw/zinc/42/18/12/698421812.db2.gz PQOAMBRMUQOFKV-UHFFFAOYSA-N 1 0 283.335 1.701 20 10 CDCDRO COc1cccc(C[N@@H+]2CCSC[C@H]2CO)c1O ZINC000877779860 698492230 /nfs/dbraw/zinc/49/22/30/698492230.db2.gz GJNQNZIOJXOCCV-LLVKDONJSA-N 1 0 269.366 1.311 20 10 CDCDRO Cc1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)ccc1N(C)C ZINC000839648578 698611196 /nfs/dbraw/zinc/61/11/96/698611196.db2.gz CRICSSLPDIFHFC-CVEARBPZSA-N 1 0 292.423 1.938 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000846166570 698785858 /nfs/dbraw/zinc/78/58/58/698785858.db2.gz ZLBIPFJYUNHNGO-IAQYHMDHSA-N 1 0 280.368 1.118 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882722 698808412 /nfs/dbraw/zinc/80/84/12/698808412.db2.gz NJCBQVDGNIZCFT-RYUDHWBXSA-N 1 0 278.400 1.850 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC2(C[NH3+])CC2)c1 ZINC000817996339 698809350 /nfs/dbraw/zinc/80/93/50/698809350.db2.gz AZZOGFOBSHRNCI-JTQLQIEISA-N 1 0 278.352 1.707 20 10 CDCDRO CC[NH+]1CCC(NC(=O)CSc2nccs2)CC1 ZINC000048874906 698925300 /nfs/dbraw/zinc/92/53/00/698925300.db2.gz FRSUPJWEFJVZNF-UHFFFAOYSA-N 1 0 285.438 1.836 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000841956078 698890698 /nfs/dbraw/zinc/89/06/98/698890698.db2.gz UMDBRJSBCDPECQ-HNNXBMFYSA-N 1 0 290.411 1.628 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(O)c1 ZINC000841981979 698914692 /nfs/dbraw/zinc/91/46/92/698914692.db2.gz LWPYHWQABTZFCO-VXGBXAGGSA-N 1 0 293.367 1.470 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921490767 698942660 /nfs/dbraw/zinc/94/26/60/698942660.db2.gz RCPHMWSWJHERQB-NSHDSACASA-N 1 0 262.353 1.626 20 10 CDCDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849024819 704821648 /nfs/dbraw/zinc/82/16/48/704821648.db2.gz BBDRIVYAZLRCER-VIFPVBQESA-N 1 0 267.329 1.050 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(C(N)=O)CCOCC1 ZINC000876929622 704894165 /nfs/dbraw/zinc/89/41/65/704894165.db2.gz KYLPGWGINMYMRH-UHFFFAOYSA-N 1 0 278.352 1.072 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818967695 705016347 /nfs/dbraw/zinc/01/63/47/705016347.db2.gz ZJLHGSWBBCEJJV-AVGNSLFASA-N 1 0 296.386 1.910 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852437801 705028395 /nfs/dbraw/zinc/02/83/95/705028395.db2.gz HYKISHVRXPLAKJ-OAHLLOKOSA-N 1 0 289.379 1.779 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000776222584 705074480 /nfs/dbraw/zinc/07/44/80/705074480.db2.gz GCCHQJDSNPIZTF-DGCLKSJQSA-N 1 0 294.395 1.982 20 10 CDCDRO COc1c(O)c(C[N@H+](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000809692669 705090871 /nfs/dbraw/zinc/09/08/71/705090871.db2.gz CQXXXUTXJHXCCF-NSHDSACASA-N 1 0 296.323 1.920 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC000858173277 705207617 /nfs/dbraw/zinc/20/76/17/705207617.db2.gz YAVZNOIDRDBAAI-LLVKDONJSA-N 1 0 297.349 1.741 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377137 848166567 /nfs/dbraw/zinc/16/65/67/848166567.db2.gz MZRSSONHKOBTEC-XJKSGUPXSA-N 1 0 280.412 1.589 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1O ZINC000090721539 848195860 /nfs/dbraw/zinc/19/58/60/848195860.db2.gz JLYQHVNTVKHADE-YPMHNXCESA-N 1 0 264.369 1.973 20 10 CDCDRO C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841881613 848241390 /nfs/dbraw/zinc/24/13/90/848241390.db2.gz AGOGXVOIGHIEPP-YPMHNXCESA-N 1 0 276.384 1.556 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CN)CC(C)C)cc1OC ZINC000841038683 848251837 /nfs/dbraw/zinc/25/18/37/848251837.db2.gz NUFQURVYJJJKRB-LBPRGKRZSA-N 1 0 282.384 1.872 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000839665040 848274687 /nfs/dbraw/zinc/27/46/87/848274687.db2.gz GIYRMOQGITZBDP-GDBMZVCRSA-N 1 0 278.396 1.318 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000858320099 848377864 /nfs/dbraw/zinc/37/78/64/848377864.db2.gz OCFGCLUWBBYOPQ-JTQLQIEISA-N 1 0 252.314 1.199 20 10 CDCDRO C[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000825502393 848431389 /nfs/dbraw/zinc/43/13/89/848431389.db2.gz XBXJQXJXOUMNCF-QMMMGPOBSA-N 1 0 274.158 1.967 20 10 CDCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000391387548 848438696 /nfs/dbraw/zinc/43/86/96/848438696.db2.gz DNVBJPVKXNDGBM-UHFFFAOYSA-N 1 0 291.800 1.958 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1C ZINC000848567496 848466703 /nfs/dbraw/zinc/46/67/03/848466703.db2.gz WYLJEPWKBDJXBX-ZDUSSCGKSA-N 1 0 286.379 1.779 20 10 CDCDRO C[NH+](C)C1(CNC(=O)NCCc2ccc(N)cc2)CCC1 ZINC000841882974 848491210 /nfs/dbraw/zinc/49/12/10/848491210.db2.gz BALMDSLCXWLBRV-UHFFFAOYSA-N 1 0 290.411 1.595 20 10 CDCDRO CC[C@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877055902 848580853 /nfs/dbraw/zinc/58/08/53/848580853.db2.gz RYVYXFDPNUPKQV-OAHLLOKOSA-N 1 0 292.423 1.898 20 10 CDCDRO COc1ccc(N(C)CCN(C)C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000883435530 848647721 /nfs/dbraw/zinc/64/77/21/848647721.db2.gz VHUWEYSVDULHNW-KBPBESRZSA-N 1 0 295.402 1.763 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CNCCO2)cc1C ZINC000841098124 848657230 /nfs/dbraw/zinc/65/72/30/848657230.db2.gz CRRJOUKIOQTUII-CYBMUJFWSA-N 1 0 250.342 1.087 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)NC1CC1 ZINC000840945655 848673130 /nfs/dbraw/zinc/67/31/30/848673130.db2.gz SYYXKRCUGXRUAJ-UHFFFAOYSA-N 1 0 261.369 1.429 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843045453 848739497 /nfs/dbraw/zinc/73/94/97/848739497.db2.gz RIMDHGRYTJVTHE-CQSZACIVSA-N 1 0 261.369 1.056 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000852864211 848742422 /nfs/dbraw/zinc/74/24/22/848742422.db2.gz ZSBSDCNHLDFMOY-XYPYZODXSA-N 1 0 265.332 1.245 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000851655440 848806800 /nfs/dbraw/zinc/80/68/00/848806800.db2.gz VTGIGHHQKHXDJD-UHFFFAOYSA-N 1 0 290.411 1.823 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000877485144 848816269 /nfs/dbraw/zinc/81/62/69/848816269.db2.gz MAMRMMVXGCCAGX-AWEZNQCLSA-N 1 0 278.396 1.853 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000848411828 848838306 /nfs/dbraw/zinc/83/83/06/848838306.db2.gz CXUMMPJGNYQADX-OLZOCXBDSA-N 1 0 291.395 1.308 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@H](CO)C2)c1O ZINC000191519772 848853067 /nfs/dbraw/zinc/85/30/67/848853067.db2.gz FYDWHSXQRZHUSY-AAEUAGOBSA-N 1 0 251.326 1.282 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(=O)c(O)co2)c1 ZINC000775369937 848879522 /nfs/dbraw/zinc/87/95/22/848879522.db2.gz JFOIXPLVRNNIRX-SECBINFHSA-N 1 0 291.303 1.910 20 10 CDCDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1O ZINC000783507648 849044867 /nfs/dbraw/zinc/04/48/67/849044867.db2.gz CVYDOBVYQFQNRI-OLZOCXBDSA-N 1 0 264.369 1.764 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852795150 849092118 /nfs/dbraw/zinc/09/21/18/849092118.db2.gz VTEUERZKAQABTK-OAHLLOKOSA-N 1 0 291.395 1.137 20 10 CDCDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1c(F)ccc(O)c1O ZINC000857270065 849108796 /nfs/dbraw/zinc/10/87/96/849108796.db2.gz NCEOOURYDHOLEM-WCBMZHEXSA-N 1 0 282.315 1.402 20 10 CDCDRO CC[NH2+]CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000844190777 849167895 /nfs/dbraw/zinc/16/78/95/849167895.db2.gz OBPAPKQAFQWHKE-UHFFFAOYSA-N 1 0 263.341 1.088 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CSC)CC2)cc1 ZINC000187730164 849182002 /nfs/dbraw/zinc/18/20/02/849182002.db2.gz PPWCZOATWKSGFL-CQSZACIVSA-N 1 0 296.436 1.541 20 10 CDCDRO CCN(CC)c1ccc(C[NH+](CCO)CCO)cc1F ZINC000862429088 849191246 /nfs/dbraw/zinc/19/12/46/849191246.db2.gz AMRKIRBBWDCNKR-UHFFFAOYSA-N 1 0 284.375 1.459 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000841653169 849210813 /nfs/dbraw/zinc/21/08/13/849210813.db2.gz HOKHPWJWCYLQHQ-CQSZACIVSA-N 1 0 290.411 1.633 20 10 CDCDRO CCC[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000096942650 849305648 /nfs/dbraw/zinc/30/56/48/849305648.db2.gz VYECVAJWDGHOAC-UHFFFAOYSA-N 1 0 278.352 1.649 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](C)CC(N)=O)c(O)c1 ZINC000776251239 849312420 /nfs/dbraw/zinc/31/24/20/849312420.db2.gz RTVFHOASUSDSCP-VIFPVBQESA-N 1 0 252.314 1.144 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1 ZINC000179691479 849513838 /nfs/dbraw/zinc/51/38/38/849513838.db2.gz GLUKDMJLFLTXHX-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877037712 849582592 /nfs/dbraw/zinc/58/25/92/849582592.db2.gz WNABPUADVCAHNI-KRWDZBQOSA-N 1 0 292.423 1.754 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H]2CCN2CC)c(O)c1 ZINC000883360989 849584061 /nfs/dbraw/zinc/58/40/61/849584061.db2.gz QMFGOYOLDLFZFG-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccccc1O ZINC000868365556 849632759 /nfs/dbraw/zinc/63/27/59/849632759.db2.gz NTPNLLNSBPYFRR-LLVKDONJSA-N 1 0 277.368 1.847 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)c(O)c1 ZINC000877141980 849638776 /nfs/dbraw/zinc/63/87/76/849638776.db2.gz OAQHQCPKHOJHMP-AWEZNQCLSA-N 1 0 293.363 1.712 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccccc1O ZINC000842912693 849682710 /nfs/dbraw/zinc/68/27/10/849682710.db2.gz UXTUDYDDUFUUPT-OUCADQQQSA-N 1 0 251.326 1.847 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000852799373 849696917 /nfs/dbraw/zinc/69/69/17/849696917.db2.gz SHHKKAVRSUYLJO-CQSZACIVSA-N 1 0 275.396 1.683 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000841965921 849714168 /nfs/dbraw/zinc/71/41/68/849714168.db2.gz LRYOZUPHXFRYQQ-RNCFNFMXSA-N 1 0 293.367 1.498 20 10 CDCDRO CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(N)cc1 ZINC000063119542 849719919 /nfs/dbraw/zinc/71/99/19/849719919.db2.gz ACZJWWOTBXJVIQ-UHFFFAOYSA-N 1 0 275.396 1.612 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000841967305 849729842 /nfs/dbraw/zinc/72/98/42/849729842.db2.gz MMUBDOFBWULGMF-SNVBAGLBSA-N 1 0 251.330 1.271 20 10 CDCDRO CC(C)C(=O)NCC[NH2+]Cc1cc(F)ccc1O ZINC000226582688 849848073 /nfs/dbraw/zinc/84/80/73/849848073.db2.gz LLNNMDRPTRQUBA-UHFFFAOYSA-N 1 0 254.305 1.393 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000883900269 849920020 /nfs/dbraw/zinc/92/00/20/849920020.db2.gz HAEWMPCGIYLCRU-CYBMUJFWSA-N 1 0 277.368 1.594 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000866458112 849938917 /nfs/dbraw/zinc/93/89/17/849938917.db2.gz YRJAGZFDJSTVNL-LLVKDONJSA-N 1 0 286.397 1.291 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC000779199486 849984513 /nfs/dbraw/zinc/98/45/13/849984513.db2.gz BAFUPQRBKUMAPD-SMDDNHRTSA-N 1 0 265.353 1.994 20 10 CDCDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)CC1=O ZINC000391500081 850005761 /nfs/dbraw/zinc/00/57/61/850005761.db2.gz VOBKOFQJNVINMV-NWDGAFQWSA-N 1 0 262.353 1.972 20 10 CDCDRO CCNC(=[NH2+])NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849044161 850058726 /nfs/dbraw/zinc/05/87/26/850058726.db2.gz WZPCVBNEWZAULY-LBPRGKRZSA-N 1 0 276.384 1.655 20 10 CDCDRO CN(C)c1ccc(CNC[C@H]2CCC[NH2+]2)cc1F ZINC000841037072 850064218 /nfs/dbraw/zinc/06/42/18/850064218.db2.gz YHKCUIMVGXBEOJ-GFCCVEGCSA-N 1 0 251.349 1.733 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000846169208 850206554 /nfs/dbraw/zinc/20/65/54/850206554.db2.gz YLEPSGPLXGATRU-GIGQVBGESA-N 1 0 283.393 1.963 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1OC ZINC000843049950 850248263 /nfs/dbraw/zinc/24/82/63/850248263.db2.gz ZOEHKBWRCURMRQ-PHIMTYICSA-N 1 0 280.368 1.592 20 10 CDCDRO C[S@@](=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877050800 850258843 /nfs/dbraw/zinc/25/88/43/850258843.db2.gz FCGYEUVLMWJPGR-HXUWFJFHSA-N 1 0 296.436 1.116 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000211445012 850262477 /nfs/dbraw/zinc/26/24/77/850262477.db2.gz POFULJBYBDNVSX-NSHDSACASA-N 1 0 251.326 1.869 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c1 ZINC000838913643 850283004 /nfs/dbraw/zinc/28/30/04/850283004.db2.gz WBGZLFZJNVAYCM-GHMZBOCLSA-N 1 0 278.352 1.578 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c(O)c1 ZINC000785985294 850306492 /nfs/dbraw/zinc/30/64/92/850306492.db2.gz UMKCOFSLEHVOLA-RISCZKNCSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000825278779 850357931 /nfs/dbraw/zinc/35/79/31/850357931.db2.gz IVRQUHLDBJRXDW-VHSXEESVSA-N 1 0 264.325 1.144 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843054989 850383396 /nfs/dbraw/zinc/38/33/96/850383396.db2.gz BTFJPCCICQZYTR-KRWDZBQOSA-N 1 0 289.423 1.707 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1 ZINC000932000297 850474361 /nfs/dbraw/zinc/47/43/61/850474361.db2.gz BXNCQBABISGBHL-CQSZACIVSA-N 1 0 276.380 1.947 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)cc1 ZINC001206243805 913494681 /nfs/dbraw/zinc/49/46/81/913494681.db2.gz GHRSYNQVTCIZFQ-NSHDSACASA-N 1 0 259.275 1.734 20 10 CDCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463090 896173460 /nfs/dbraw/zinc/17/34/60/896173460.db2.gz SDMRBPHCFNJUAN-KBPBESRZSA-N 1 0 285.771 1.611 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1O ZINC001140742798 898164490 /nfs/dbraw/zinc/16/44/90/898164490.db2.gz ZPKKLGPCYXLJDI-WCQYABFASA-N 1 0 269.316 1.701 20 10 CDCDRO Oc1ccc(CN2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222237951 899965484 /nfs/dbraw/zinc/96/54/84/899965484.db2.gz XUCGDBIRKRICAG-OAHLLOKOSA-N 1 0 262.353 1.816 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@](C)([NH3+])C2)c(Cl)c1 ZINC001204800600 906813843 /nfs/dbraw/zinc/81/38/43/906813843.db2.gz FLLQFHRJFPAVGE-CYBMUJFWSA-N 1 0 270.760 1.977 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc1O ZINC001172228810 911469017 /nfs/dbraw/zinc/46/90/17/911469017.db2.gz DVGBRAIQBYFZQO-UKAJUAJCSA-N 1 0 277.320 1.207 20 10 CDCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922641232 921723176 /nfs/dbraw/zinc/72/31/76/921723176.db2.gz YOYHXCXMGNPRJM-GUYCJALGSA-N 1 0 290.407 1.772 20 10 CDCDRO [NH3+]C[C@]1(F)CCCCN(Cc2cc(O)ccc2O)C1 ZINC001206351386 915672664 /nfs/dbraw/zinc/67/26/64/915672664.db2.gz CGBWPHZDRAMSEI-CQSZACIVSA-N 1 0 268.332 1.751 20 10 CDCDRO COc1cccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1O ZINC001206406401 916098104 /nfs/dbraw/zinc/09/81/04/916098104.db2.gz XTIBIEBNROXJBG-QWRGUYRKSA-N 1 0 254.305 1.272 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)[C@H]1C ZINC001204278748 916589147 /nfs/dbraw/zinc/58/91/47/916589147.db2.gz JLGGFNZPODGMFQ-GWCFXTLKSA-N 1 0 279.336 1.871 20 10 CDCDRO Oc1cccc(F)c1CN1CCO[C@@]2(CCOC2)C1 ZINC001137832654 936417486 /nfs/dbraw/zinc/41/74/86/936417486.db2.gz CJCUXKXOFCGRHR-AWEZNQCLSA-N 1 0 267.300 1.523 20 10 CDCDRO C[C@H](C[NH+](C)C)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182155209 917692249 /nfs/dbraw/zinc/69/22/49/917692249.db2.gz DIEGYTJBGZYTAE-SNVBAGLBSA-N 1 0 266.341 1.097 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)cc(O)c1O ZINC001204342988 917892096 /nfs/dbraw/zinc/89/20/96/917892096.db2.gz PBUBWQXCKUTTSS-GHMZBOCLSA-N 1 0 281.352 1.699 20 10 CDCDRO Cc1c(CN2CC(=O)NC[C@H]2C)c2ccccc2n1C ZINC001138258047 936502959 /nfs/dbraw/zinc/50/29/59/936502959.db2.gz JJVDPDLLUKHPEX-LLVKDONJSA-N 1 0 271.364 1.807 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c2ccccc2n1C ZINC001138256598 936503326 /nfs/dbraw/zinc/50/33/26/936503326.db2.gz CDSWVINJHCPLRW-GFCCVEGCSA-N 1 0 271.364 1.794 20 10 CDCDRO C[C@H]1CN(C)C(=O)CN1Cc1ccc2c(c1)CCCN2C ZINC001138358992 936525740 /nfs/dbraw/zinc/52/57/40/936525740.db2.gz GPELWGQDVBEPRM-ZDUSSCGKSA-N 1 0 287.407 1.732 20 10 CDCDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1COC1 ZINC001139409651 936618072 /nfs/dbraw/zinc/61/80/72/936618072.db2.gz OQHXKCOSVBFPHW-UHFFFAOYSA-N 1 0 275.396 1.269 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@](C)(O)C2)c1O ZINC001140178602 936684417 /nfs/dbraw/zinc/68/44/17/936684417.db2.gz QGWSYRCARMBTJS-OAHLLOKOSA-N 1 0 265.353 1.592 20 10 CDCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001140338113 936702904 /nfs/dbraw/zinc/70/29/04/936702904.db2.gz VQRHJSQMDQIRQY-ZYHUDNBSSA-N 1 0 259.708 1.950 20 10 CDCDRO [O-]c1cc(F)cc(F)c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001140585328 936728308 /nfs/dbraw/zinc/72/83/08/936728308.db2.gz FOXKHWQADWMBPD-SNVBAGLBSA-N 1 0 254.280 1.560 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CC(N3CC(F)C3)C2)c1 ZINC001140617671 936731170 /nfs/dbraw/zinc/73/11/70/936731170.db2.gz VZFPKEBBQQQJLI-UHFFFAOYSA-N 1 0 250.317 1.539 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(C)=O)C2)c(OC)c1 ZINC001141030980 936794916 /nfs/dbraw/zinc/79/49/16/936794916.db2.gz TTYOACCXYWPUTA-LLVKDONJSA-N 1 0 279.336 1.820 20 10 CDCDRO COCC[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141031767 936795499 /nfs/dbraw/zinc/79/54/99/936795499.db2.gz KJRNFLCMCJLKLP-UHFFFAOYSA-N 1 0 255.314 1.488 20 10 CDCDRO [NH3+][C@H](C(=O)NCc1ccccc1O)C1CCCCC1 ZINC000083456487 936806124 /nfs/dbraw/zinc/80/61/24/936806124.db2.gz UPVNMFKTJNCAJF-AWEZNQCLSA-N 1 0 262.353 1.916 20 10 CDCDRO Oc1ccc(O)c(CN2CC(N3CCC(F)(F)C3)C2)c1 ZINC001141160175 936821997 /nfs/dbraw/zinc/82/19/97/936821997.db2.gz SEIZKPQYUCBNLD-UHFFFAOYSA-N 1 0 284.306 1.623 20 10 CDCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160319 936822270 /nfs/dbraw/zinc/82/22/70/936822270.db2.gz VLWNUBQGDUILCJ-IUODEOHRSA-N 1 0 279.336 1.193 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159825 936822299 /nfs/dbraw/zinc/82/22/99/936822299.db2.gz LWKKSWNGIOJHSP-JTQLQIEISA-N 1 0 265.309 1.483 20 10 CDCDRO CN1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141162056 936823071 /nfs/dbraw/zinc/82/30/71/936823071.db2.gz KMTNROHVHUUCRD-FZMZJTMJSA-N 1 0 262.353 1.624 20 10 CDCDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162763 936823562 /nfs/dbraw/zinc/82/35/62/936823562.db2.gz CKQKGMRJTMWAFC-SNVBAGLBSA-N 1 0 265.309 1.483 20 10 CDCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284777 925744958 /nfs/dbraw/zinc/74/49/58/925744958.db2.gz LKDFHELAHHHGLM-ZDUSSCGKSA-N 1 0 292.354 1.879 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c(O)c1O ZINC000854651951 928257108 /nfs/dbraw/zinc/25/71/08/928257108.db2.gz FHFORBAAPKESIM-JQWIXIFHSA-N 1 0 278.352 1.571 20 10 CDCDRO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C1=CC(=O)CS1 ZINC000782014186 937235744 /nfs/dbraw/zinc/23/57/44/937235744.db2.gz RIAGHNHLMUNUNK-SNVBAGLBSA-N 1 0 298.408 1.371 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CN(C)Cc1ccccc1O ZINC001253187855 929906746 /nfs/dbraw/zinc/90/67/46/929906746.db2.gz JZTZAVPUXRSOBR-AWEZNQCLSA-N 1 0 266.385 1.527 20 10 CDCDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(OC)ccc1O ZINC000816660486 930332205 /nfs/dbraw/zinc/33/22/05/930332205.db2.gz GEOBAJZDQDYGEB-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C[C@H]1O ZINC001205973297 930441191 /nfs/dbraw/zinc/44/11/91/930441191.db2.gz NGEDNCGNGAAOAP-ZYHUDNBSSA-N 1 0 290.285 1.305 20 10 CDCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1O ZINC001116852130 937476151 /nfs/dbraw/zinc/47/61/51/937476151.db2.gz UBZRSNLIMRCQMA-NWDGAFQWSA-N 1 0 278.352 1.700 20 10 CDCDRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825510786 931507197 /nfs/dbraw/zinc/50/71/97/931507197.db2.gz IUHOZPINFXKMCE-SECBINFHSA-N 1 0 282.315 1.309 20 10 CDCDRO C[NH+](C)CCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844843425 931717150 /nfs/dbraw/zinc/71/71/50/931717150.db2.gz AXMAOAJNDVPTIB-UHFFFAOYSA-N 1 0 285.775 1.797 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499144 931858716 /nfs/dbraw/zinc/85/87/16/931858716.db2.gz BQIIYUSYQZXTRE-SNVBAGLBSA-N 1 0 267.325 1.398 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC001144504346 931864663 /nfs/dbraw/zinc/86/46/63/931864663.db2.gz QFTBQTFPPKYDHK-AWEZNQCLSA-N 1 0 265.309 1.416 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514590 931877205 /nfs/dbraw/zinc/87/72/05/931877205.db2.gz LIOWPNWOJWCWJB-ZJUUUORDSA-N 1 0 295.335 1.434 20 10 CDCDRO O=C(c1c(F)ccc(O)c1O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001117787849 937553225 /nfs/dbraw/zinc/55/32/25/937553225.db2.gz UVVRLVCGDLUJSR-SNVBAGLBSA-N 1 0 294.326 1.547 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H](C)[NH3+])cc1 ZINC000846173793 931984837 /nfs/dbraw/zinc/98/48/37/931984837.db2.gz KLJDDQSPDLNKRH-LBPRGKRZSA-N 1 0 294.399 1.120 20 10 CDCDRO CN(C)c1ccc(CN2CC3(C2)CC[N@H+](C)C3)cc1 ZINC001275833783 932077568 /nfs/dbraw/zinc/07/75/68/932077568.db2.gz QVTOGJLLRXTWAO-UHFFFAOYSA-N 1 0 259.397 1.890 20 10 CDCDRO Nc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC001120263451 937790113 /nfs/dbraw/zinc/79/01/13/937790113.db2.gz OWNZRSHZDFYQPD-UHFFFAOYSA-N 1 0 273.380 1.856 20 10 CDCDRO Cc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)n1C ZINC000689206208 936079160 /nfs/dbraw/zinc/07/91/60/936079160.db2.gz UKZOCHHLQGEDQE-UHFFFAOYSA-N 1 0 257.337 1.953 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(OC)cc1O ZINC001203627766 939697686 /nfs/dbraw/zinc/69/76/86/939697686.db2.gz OAONWSCDLYMLCO-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1 ZINC001203671097 939700239 /nfs/dbraw/zinc/70/02/39/939700239.db2.gz JGVYLNUNOWOEED-INIZCTEOSA-N 1 0 290.363 1.503 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1 ZINC001203670349 939700361 /nfs/dbraw/zinc/70/03/61/939700361.db2.gz OJHLFJKQEXCWKI-PWSUYJOCSA-N 1 0 269.316 1.553 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875673 939710396 /nfs/dbraw/zinc/71/03/96/939710396.db2.gz SJQADDLVJVPVCR-ZYHUDNBSSA-N 1 0 279.336 1.871 20 10 CDCDRO Oc1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)cc1O ZINC001203884634 939712100 /nfs/dbraw/zinc/71/21/00/939712100.db2.gz WJNAEVFJPASTAV-LBPRGKRZSA-N 1 0 287.319 1.541 20 10 CDCDRO CN(C)C(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277724 939751288 /nfs/dbraw/zinc/75/12/88/939751288.db2.gz JCHPBZAHBWTBCD-UHFFFAOYSA-N 1 0 293.367 1.333 20 10 CDCDRO COc1cc(CN2CC[NH+](CC3CC3)CC2)cc(O)c1O ZINC001204341460 939757097 /nfs/dbraw/zinc/75/70/97/939757097.db2.gz CSXUHUAQNOWCMB-UHFFFAOYSA-N 1 0 292.379 1.634 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)C2)cc(O)c1O ZINC001204345144 939758026 /nfs/dbraw/zinc/75/80/26/939758026.db2.gz MSXQCZHMTLTDFQ-LLVKDONJSA-N 1 0 281.352 1.701 20 10 CDCDRO COc1cc(C[N@H+](C)[C@@H]2CCOC2)cc(O)c1O ZINC001204344839 939758084 /nfs/dbraw/zinc/75/80/84/939758084.db2.gz JKWCJKWMZJJBGP-SNVBAGLBSA-N 1 0 253.298 1.327 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc(O)c(O)c(OC)c1 ZINC001204350007 939759560 /nfs/dbraw/zinc/75/95/60/939759560.db2.gz ZZGBENNEKWJNHS-UHFFFAOYSA-N 1 0 283.324 1.491 20 10 CDCDRO COc1cc(C)c(C[N@H+]2CC[C@H](OC)C2)c(O)c1 ZINC001204767777 939789003 /nfs/dbraw/zinc/78/90/03/939789003.db2.gz DRDQFSTUEFTWKA-NSHDSACASA-N 1 0 251.326 1.930 20 10 CDCDRO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205571945 939904790 /nfs/dbraw/zinc/90/47/90/939904790.db2.gz ZTFPYSXHZATLMU-OAHLLOKOSA-N 1 0 296.342 1.743 20 10 CDCDRO Cn1ccc2c1ncnc2-c1cnn(CC[NH+](C)C)c1 ZINC001206310629 940015312 /nfs/dbraw/zinc/01/53/12/940015312.db2.gz XCWBLUJUNLSOKC-UHFFFAOYSA-N 1 0 270.340 1.393 20 10 CDCDRO CC1(C[NH3+])CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206722634 940081872 /nfs/dbraw/zinc/08/18/72/940081872.db2.gz DVYIHIAIUUHUOC-UHFFFAOYSA-N 1 0 289.423 1.428 20 10 CDCDRO CCOc1ccc(C[NH+]2CC3(CCN3C)C2)c(O)c1 ZINC001276815479 941464080 /nfs/dbraw/zinc/46/40/80/941464080.db2.gz UHWLWTHNABJSSX-UHFFFAOYSA-N 1 0 262.353 1.681 20 10 CDCDRO Oc1ccc(O)c(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)c1 ZINC001222679737 941624688 /nfs/dbraw/zinc/62/46/88/941624688.db2.gz AMYZBXSVLSIFFY-INIZCTEOSA-N 1 0 291.395 1.015 20 10 CDCDRO NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001277209663 942177483 /nfs/dbraw/zinc/17/74/83/942177483.db2.gz JUKQPAXYVRJLMC-PBHICJAKSA-N 1 0 285.391 1.737 20 10 CDCDRO NC(=O)[C@@H]1CC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277210645 942178220 /nfs/dbraw/zinc/17/82/20/942178220.db2.gz XKUDIXIPRRHJIY-HNNXBMFYSA-N 1 0 285.391 1.594 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1cccc(C)c1O ZINC001231592174 942937637 /nfs/dbraw/zinc/93/76/37/942937637.db2.gz FQOPQWGTFVJFEN-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO Cc1cccc(C[NH+]2CC(N3CCOCC3)C2)c1O ZINC001231593190 942938795 /nfs/dbraw/zinc/93/87/95/942938795.db2.gz QNANQZLREKZYBD-UHFFFAOYSA-N 1 0 262.353 1.217 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1O ZINC001231591210 942939408 /nfs/dbraw/zinc/93/94/08/942939408.db2.gz WEAYJEXHDXBWEJ-OLZOCXBDSA-N 1 0 253.317 1.995 20 10 CDCDRO COc1cc(CN(C)CC[NH+]2CCCC2)c(O)cc1O ZINC001231637422 942954036 /nfs/dbraw/zinc/95/40/36/942954036.db2.gz MKSSROHGLPCZNR-UHFFFAOYSA-N 1 0 280.368 1.634 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)c(O)cc2O)[C@H](C)C1 ZINC001231641042 942956206 /nfs/dbraw/zinc/95/62/06/942956206.db2.gz XVKMDXXYDROPEG-LLVKDONJSA-N 1 0 280.368 1.632 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C)c(O)c1 ZINC001277569467 943021142 /nfs/dbraw/zinc/02/11/42/943021142.db2.gz ZGQDUZUROVCQJC-CJNGLKHVSA-N 1 0 274.364 1.753 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258919 943191048 /nfs/dbraw/zinc/19/10/48/943191048.db2.gz DEYZBESPIYTNDD-VIFPVBQESA-N 1 0 257.717 1.972 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232834669 943413045 /nfs/dbraw/zinc/41/30/45/943413045.db2.gz JAZMFMRDIJUORN-ZWNOBZJWSA-N 1 0 250.342 1.413 20 10 CDCDRO CC[N@H+](CCOC)Cc1ccc(N(C)C)cc1O ZINC001232834138 943413053 /nfs/dbraw/zinc/41/30/53/943413053.db2.gz HZHJVCLKQIADJS-UHFFFAOYSA-N 1 0 252.358 1.927 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C2(C)COC2)c(O)c1 ZINC001232840341 943415513 /nfs/dbraw/zinc/41/55/13/943415513.db2.gz UCICUIPOWQRZRH-UHFFFAOYSA-N 1 0 250.342 1.679 20 10 CDCDRO C[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@H]1CO ZINC001233010329 943460404 /nfs/dbraw/zinc/46/04/04/943460404.db2.gz ORONCNUFOYMJHX-ONGXEEELSA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc(O)c1O ZINC001233015783 943464994 /nfs/dbraw/zinc/46/49/94/943464994.db2.gz ASIFOJNJNFSPEE-MFKMUULPSA-N 1 0 265.309 1.414 20 10 CDCDRO OCC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483988 943590891 /nfs/dbraw/zinc/59/08/91/943590891.db2.gz UBLYWWUAPGEFCM-UHFFFAOYSA-N 1 0 253.298 1.008 20 10 CDCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482832 943591306 /nfs/dbraw/zinc/59/13/06/943591306.db2.gz DKOXEGNBWHMKKC-LLVKDONJSA-N 1 0 267.325 1.804 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1O ZINC001233482408 943591364 /nfs/dbraw/zinc/59/13/64/943591364.db2.gz MQDBGEPOWJYDKO-BMIGLBTASA-N 1 0 279.336 1.804 20 10 CDCDRO Oc1cc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC001233485356 943592574 /nfs/dbraw/zinc/59/25/74/943592574.db2.gz SAJLWWPPPSZERQ-GFCCVEGCSA-N 1 0 278.352 1.474 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236173818 944423961 /nfs/dbraw/zinc/42/39/61/944423961.db2.gz MQRNLGCLVFLRFZ-MRVPVSSYSA-N 1 0 287.157 1.393 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)c(C)cc1O ZINC001236202191 944430275 /nfs/dbraw/zinc/43/02/75/944430275.db2.gz RNYVHCUOJJJZGW-JQWIXIFHSA-N 1 0 298.770 1.429 20 10 CDCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@@H]1[NH3+] ZINC001236362880 944484771 /nfs/dbraw/zinc/48/47/71/944484771.db2.gz ZMQVNMRMPLIMPZ-PWSUYJOCSA-N 1 0 298.770 1.286 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC3(CC(O)C3)C2)cc1OC ZINC001236749457 944556084 /nfs/dbraw/zinc/55/60/84/944556084.db2.gz FISQKRBXZDDIPW-UHFFFAOYSA-N 1 0 279.336 1.366 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001236784630 944566304 /nfs/dbraw/zinc/56/63/04/944566304.db2.gz XLCFOVOEZNGZDJ-DZGCQCFKSA-N 1 0 265.353 1.130 20 10 CDCDRO C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C[C@H](O)CO ZINC001236790203 944568604 /nfs/dbraw/zinc/56/86/04/944568604.db2.gz MSGJYPFBPDOYPP-QMMMGPOBSA-N 1 0 280.151 1.484 20 10 CDCDRO COc1cc(C)c(C[N@H+](C)CC(=O)N(C)C)c(O)c1 ZINC001236812863 944575703 /nfs/dbraw/zinc/57/57/03/944575703.db2.gz FZXHEVRXIWWLJG-UHFFFAOYSA-N 1 0 266.341 1.229 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236813081 944578511 /nfs/dbraw/zinc/57/85/11/944578511.db2.gz FVJZUPUCBLBYQO-NSHDSACASA-N 1 0 251.326 1.930 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CC(C)(O)C3)c(F)c2)CC1 ZINC001236932071 944618125 /nfs/dbraw/zinc/61/81/25/944618125.db2.gz NEQIEOUKLSIDQY-UHFFFAOYSA-N 1 0 293.386 1.144 20 10 CDCDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1ccc(N(C)C)cc1Cl ZINC001237159720 944667542 /nfs/dbraw/zinc/66/75/42/944667542.db2.gz HOELSTFYUMPMGE-GJZGRUSLSA-N 1 0 297.830 1.825 20 10 CDCDRO Cc1cccc(O)c1CN1CCOC[C@H]1C[NH+](C)C ZINC001237491178 944815270 /nfs/dbraw/zinc/81/52/70/944815270.db2.gz IBKIQCXSXCQFJJ-CYBMUJFWSA-N 1 0 264.369 1.463 20 10 CDCDRO COc1cc(CN2CC([NH+]3CCCC3)C2)c(O)c(OC)c1 ZINC001237675149 944921575 /nfs/dbraw/zinc/92/15/75/944921575.db2.gz ARBNKZQXRJEBRP-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO CC(=O)N1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001254416285 947430069 /nfs/dbraw/zinc/43/00/69/947430069.db2.gz XAKYCNHHXUEAPC-UHFFFAOYSA-N 1 0 278.352 1.241 20 10 CDCDRO O=C(C[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)c1ccc(O)c(O)c1 ZINC001254925871 947655884 /nfs/dbraw/zinc/65/58/84/947655884.db2.gz CKYIVLSPABFICI-GDNZZTSVSA-N 1 0 289.331 1.628 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](C)CC(=O)N2CCOCC2)c1O ZINC001256330183 948274007 /nfs/dbraw/zinc/27/40/07/948274007.db2.gz LSIUORDEFYZPAE-ZDUSSCGKSA-N 1 0 292.379 1.428 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001257035555 948490147 /nfs/dbraw/zinc/49/01/47/948490147.db2.gz CLVJLVIWRIFJLA-STQMWFEESA-N 1 0 293.363 1.962 20 10 CDCDRO C[C@H]1CC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001257073208 948519588 /nfs/dbraw/zinc/51/95/88/948519588.db2.gz LPZVOEKBGXIJRC-YHAQOWFVSA-N 1 0 281.352 1.677 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](N(C)C)C2)c(O)c1 ZINC001249171161 949436631 /nfs/dbraw/zinc/43/66/31/949436631.db2.gz AGZMTKGQANMJFW-AWEZNQCLSA-N 1 0 292.379 1.244 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001249216528 949459562 /nfs/dbraw/zinc/45/95/62/949459562.db2.gz CNOXSOYTTXQDRH-UHFFFAOYSA-N 1 0 291.347 1.473 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc(F)c1[O-] ZINC001325720694 954044154 /nfs/dbraw/zinc/04/41/54/954044154.db2.gz GCIMOWXDJSXPOZ-XUJCCDQDSA-N 1 0 254.280 1.539 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC001333600703 958445163 /nfs/dbraw/zinc/44/51/63/958445163.db2.gz LFMJLVNLTKMPPV-VHSXEESVSA-N 1 0 251.330 1.360 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(N)cc2)C1 ZINC001335571086 959900569 /nfs/dbraw/zinc/90/05/69/959900569.db2.gz UBMBSECYLJUREE-AWEZNQCLSA-N 1 0 290.411 1.800 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC001335680770 959970379 /nfs/dbraw/zinc/97/03/79/959970379.db2.gz ZHUMHDBHPCFNOF-WCQYABFASA-N 1 0 262.357 1.195 20 10 CDCDRO Nc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC001336117489 960210880 /nfs/dbraw/zinc/21/08/80/960210880.db2.gz NSICLSRHLWLRDH-UHFFFAOYSA-N 1 0 282.391 1.982 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CC[N@@H+]1C ZINC001338731336 961965834 /nfs/dbraw/zinc/96/58/34/961965834.db2.gz GTVDRNTVJDWDAL-BXUZGUMPSA-N 1 0 276.384 1.551 20 10 CDCDRO C[N@H+](CCC(N)=O)Cc1ccc(N2CCCC2)cc1 ZINC001343282757 963943152 /nfs/dbraw/zinc/94/31/52/963943152.db2.gz DZYRXKHEOLYFBG-UHFFFAOYSA-N 1 0 261.369 1.594 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001348838008 966200467 /nfs/dbraw/zinc/20/04/67/966200467.db2.gz QTIPDVDDYHEPFM-LPEHRKFASA-N 1 0 283.422 1.349 20 10 CDCDRO Nc1ccc(C[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC001356082713 969328626 /nfs/dbraw/zinc/32/86/26/969328626.db2.gz DLGQJXOKYOFBGD-UHFFFAOYSA-N 1 0 261.247 1.037 20 10 CDCDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1c(O)cccc1F ZINC001522792570 970560354 /nfs/dbraw/zinc/56/03/54/970560354.db2.gz YLDHQNGEEDHXRB-LBPRGKRZSA-N 1 0 268.332 1.911 20 10 CDCDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001576373448 1171404516 /nfs/dbraw/zinc/40/45/16/1171404516.db2.gz UGCIUTFXPKNQOW-WCQYABFASA-N 1 0 260.337 1.608 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)c1O ZINC000180042938 357239647 /nfs/dbraw/zinc/23/96/47/357239647.db2.gz VRHLABUIBIQIKL-CYBMUJFWSA-N 1 0 262.353 1.657 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000179754007 357223891 /nfs/dbraw/zinc/22/38/91/357223891.db2.gz PVFGSBYLWKRURP-UHFFFAOYSA-N 1 0 276.380 1.928 20 10 CDCDRO CS(=O)(=O)CCCCC[NH2+]Cc1cc(F)ccc1O ZINC000187692724 357795966 /nfs/dbraw/zinc/79/59/66/357795966.db2.gz QGBVIOLERCCKES-UHFFFAOYSA-N 1 0 289.372 1.836 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCCOCCO)cc1 ZINC000227334439 359813312 /nfs/dbraw/zinc/81/33/12/359813312.db2.gz UXPGWABWYLXSDG-UHFFFAOYSA-N 1 0 252.358 1.241 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269272845 364171616 /nfs/dbraw/zinc/17/16/16/364171616.db2.gz UJKLMLGARXONGB-XHDPSFHLSA-N 1 0 273.380 1.410 20 10 CDCDRO OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccccc1O ZINC000269892509 364371660 /nfs/dbraw/zinc/37/16/60/364371660.db2.gz CQYRFCGLUQMLLN-WBVHZDCISA-N 1 0 287.359 1.966 20 10 CDCDRO CC[C@H]([NH2+]CC1(CO)COC1)c1ccccc1O ZINC000271689742 364994049 /nfs/dbraw/zinc/99/40/49/364994049.db2.gz KAQSWBKMLOALQD-LBPRGKRZSA-N 1 0 251.326 1.442 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCOCC2)c1 ZINC000181232980 365025945 /nfs/dbraw/zinc/02/59/45/365025945.db2.gz ZQTZUOIAPROXSN-LBPRGKRZSA-N 1 0 278.352 1.210 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c(O)c1 ZINC000273490436 365500919 /nfs/dbraw/zinc/50/09/19/365500919.db2.gz OCMBNWPAKVOWNH-SMDDNHRTSA-N 1 0 275.352 1.818 20 10 CDCDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(F)ccc1O ZINC000230991668 367538526 /nfs/dbraw/zinc/53/85/26/367538526.db2.gz FZVWDYQIIABODD-VIFPVBQESA-N 1 0 290.360 1.073 20 10 CDCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285688769 368651463 /nfs/dbraw/zinc/65/14/63/368651463.db2.gz ALAMEXNNUDKPJJ-SECBINFHSA-N 1 0 253.321 1.103 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1O ZINC000287733541 369294145 /nfs/dbraw/zinc/29/41/45/369294145.db2.gz ZGZWLJWZWYWQGP-JTQLQIEISA-N 1 0 251.330 1.142 20 10 CDCDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000288640672 369478804 /nfs/dbraw/zinc/47/88/04/369478804.db2.gz UHVYLGDNIURZRX-SMDDNHRTSA-N 1 0 282.409 1.275 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000295134345 371134697 /nfs/dbraw/zinc/13/46/97/371134697.db2.gz YXAVSSJAJMHFAB-MRXNPFEDSA-N 1 0 273.380 1.413 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCOCCO)c(O)c1 ZINC000293589741 378574757 /nfs/dbraw/zinc/57/47/57/378574757.db2.gz FIHVPMSDYVLXFE-GFCCVEGCSA-N 1 0 253.342 1.669 20 10 CDCDRO CC(C)[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1 ZINC000093054397 390899216 /nfs/dbraw/zinc/89/92/16/390899216.db2.gz CETIEJGSYTZVAP-OAHLLOKOSA-N 1 0 275.396 1.709 20 10 CDCDRO Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)c(O)c1O ZINC000179395772 391203991 /nfs/dbraw/zinc/20/39/91/391203991.db2.gz KPBGIPPWKNZKKU-UHFFFAOYSA-N 1 0 292.379 1.820 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179568192 391211842 /nfs/dbraw/zinc/21/18/42/391211842.db2.gz TZNUMQBKBRQYPD-ZDUSSCGKSA-N 1 0 263.337 1.977 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCOCC1 ZINC000183547623 391267241 /nfs/dbraw/zinc/26/72/41/391267241.db2.gz FTHRPIQNRPSJDJ-GXTWGEPZSA-N 1 0 292.379 1.680 20 10 CDCDRO COC(=O)N1CC([NH2+][C@H](C)c2ccccc2O)C1 ZINC000183622513 391267567 /nfs/dbraw/zinc/26/75/67/391267567.db2.gz SWGHMFJQEBXAKQ-SECBINFHSA-N 1 0 250.298 1.493 20 10 CDCDRO Nc1ccc(CC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1 ZINC000362275944 391717019 /nfs/dbraw/zinc/71/70/19/391717019.db2.gz HHENDYNRYXJTQH-UHFFFAOYSA-N 1 0 282.347 1.491 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)CCC[NH3+])CC2)cc1 ZINC000165752342 391750983 /nfs/dbraw/zinc/75/09/83/391750983.db2.gz XMPWOEDWAWLZGJ-UHFFFAOYSA-N 1 0 291.395 1.473 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1C ZINC000372746595 391863873 /nfs/dbraw/zinc/86/38/73/391863873.db2.gz WVUNNSAABHHFRZ-CYBMUJFWSA-N 1 0 298.408 1.262 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1cccc(OC)c1O ZINC000527726820 392987694 /nfs/dbraw/zinc/98/76/94/392987694.db2.gz KRHJBLPACPLEOO-UHFFFAOYSA-N 1 0 262.313 1.302 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCN2CCOCC2)c1 ZINC000020142076 171028308 /nfs/dbraw/zinc/02/83/08/171028308.db2.gz MESPDJMOFCOSOS-UHFFFAOYSA-N 1 0 280.368 1.213 20 10 CDCDRO OCCCSCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000222941305 260251632 /nfs/dbraw/zinc/25/16/32/260251632.db2.gz GRGMXYGPCDUNRB-UHFFFAOYSA-N 1 0 285.365 1.326 20 10 CDCDRO CC(C)C[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000126387710 260350652 /nfs/dbraw/zinc/35/06/52/260350652.db2.gz CWWWOODVCQRFIT-UHFFFAOYSA-N 1 0 278.352 1.512 20 10 CDCDRO O=C(c1cccc(O)c1O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000126401212 260351701 /nfs/dbraw/zinc/35/17/01/260351701.db2.gz NUZYQEWWPXQECD-NSHDSACASA-N 1 0 276.336 1.408 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+](C(C)C)CC2)cc1OC ZINC000159758299 261193161 /nfs/dbraw/zinc/19/31/61/261193161.db2.gz ZNTGSYZQCPQRTB-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO CC[N@H+](CC(=O)NCCc1ccc(O)c(O)c1)C1CC1 ZINC000159819653 261195054 /nfs/dbraw/zinc/19/50/54/261195054.db2.gz XPODGBRYMPGVJW-UHFFFAOYSA-N 1 0 278.352 1.241 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCOC1 ZINC000176088360 261265200 /nfs/dbraw/zinc/26/52/00/261265200.db2.gz IAKQSHZOSXBHCP-JTQLQIEISA-N 1 0 265.309 1.589 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000164296412 261346856 /nfs/dbraw/zinc/34/68/56/261346856.db2.gz IJFLQCAIDPEGMV-PWJLMRLQSA-N 1 0 261.774 1.902 20 10 CDCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000185226463 262046738 /nfs/dbraw/zinc/04/67/38/262046738.db2.gz SLJPXYVXVCNDKJ-MRVPVSSYSA-N 1 0 277.773 1.741 20 10 CDCDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000276815601 263038126 /nfs/dbraw/zinc/03/81/26/263038126.db2.gz OPWMEWRFLZIYOK-ZDUSSCGKSA-N 1 0 278.327 1.728 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC[S@@](C)=O)c1 ZINC000125534358 264011529 /nfs/dbraw/zinc/01/15/29/264011529.db2.gz ICQSPVCOXRWSKV-GTNSWQLSSA-N 1 0 255.383 1.947 20 10 CDCDRO [NH3+][C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000083415558 1173452428 /nfs/dbraw/zinc/45/24/28/1173452428.db2.gz GKNVTEBTKWQDGF-CQSZACIVSA-N 1 0 256.305 1.708 20 10 CDCDRO COc1ccc(C[NH2+]CC(=O)NC(C)C)cc1C ZINC000035052735 326902451 /nfs/dbraw/zinc/90/24/51/326902451.db2.gz WURCUAJEKDWSPJ-UHFFFAOYSA-N 1 0 250.342 1.618 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)CC(N)=O)c1O ZINC000188466386 329369228 /nfs/dbraw/zinc/36/92/28/329369228.db2.gz CZGWUJLUHPQMAK-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134129809 334081555 /nfs/dbraw/zinc/08/15/55/334081555.db2.gz SOJVIRSJLRPLEG-CQSZACIVSA-N 1 0 296.798 1.952 20 10 CDCDRO CC[C@](C)(CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134472383 334091479 /nfs/dbraw/zinc/09/14/79/334091479.db2.gz VGHUHYWRBIYFRF-CQSZACIVSA-N 1 0 267.325 1.762 20 10 CDCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294803295 519984892 /nfs/dbraw/zinc/98/48/92/519984892.db2.gz POXOYAVIKBPTJG-LBPRGKRZSA-N 1 0 263.385 1.757 20 10 CDCDRO CC[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000102004504 520230689 /nfs/dbraw/zinc/23/06/89/520230689.db2.gz DSTCVYKLKMTJPX-UHFFFAOYSA-N 1 0 296.390 1.643 20 10 CDCDRO CCOc1cccc(C[NH2+]CCN2CCCOCC2)c1O ZINC000289379081 521361586 /nfs/dbraw/zinc/36/15/86/521361586.db2.gz CFRCPVIAYDXRMT-UHFFFAOYSA-N 1 0 294.395 1.603 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000071299503 521364084 /nfs/dbraw/zinc/36/40/84/521364084.db2.gz MQFATIIDLQKAON-LBPRGKRZSA-N 1 0 251.326 1.651 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000071264711 522805220 /nfs/dbraw/zinc/80/52/20/522805220.db2.gz KRWZMSONFIPEKQ-VHSXEESVSA-N 1 0 255.314 1.059 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279763799 523385599 /nfs/dbraw/zinc/38/55/99/523385599.db2.gz FDOCIMSZDARCRL-CQSZACIVSA-N 1 0 274.364 1.977 20 10 CDCDRO C[NH+]1CCC(CC(=O)NCc2ccccc2O)CC1 ZINC000292084738 523754950 /nfs/dbraw/zinc/75/49/50/523754950.db2.gz IATAZRSVGMVGJE-UHFFFAOYSA-N 1 0 262.353 1.740 20 10 CDCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(F)ccc1O ZINC000279479586 524350011 /nfs/dbraw/zinc/35/00/11/524350011.db2.gz TXDWGFRQQAXZBY-GFCCVEGCSA-N 1 0 282.359 1.684 20 10 CDCDRO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC000235677851 524765116 /nfs/dbraw/zinc/76/51/16/524765116.db2.gz VLWVRQFGLCWYIK-RYUDHWBXSA-N 1 0 262.353 1.739 20 10 CDCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227981477 525056843 /nfs/dbraw/zinc/05/68/43/525056843.db2.gz BGLGKQJGVFRIIT-ABAIWWIYSA-N 1 0 263.337 1.251 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC000290110082 525323051 /nfs/dbraw/zinc/32/30/51/525323051.db2.gz LCGOKCDHOGDOQB-CYBMUJFWSA-N 1 0 297.420 1.923 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c(O)c1 ZINC000289670747 525725781 /nfs/dbraw/zinc/72/57/81/525725781.db2.gz HEYCQJFEGCCTEW-GFCCVEGCSA-N 1 0 290.367 1.525 20 10 CDCDRO Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000278295468 527616213 /nfs/dbraw/zinc/61/62/13/527616213.db2.gz CFNCWHKLYPJYLX-AWEZNQCLSA-N 1 0 286.379 1.884 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000725849065 574444385 /nfs/dbraw/zinc/44/43/85/574444385.db2.gz FXEJSGAQWPYDAR-NSHDSACASA-N 1 0 273.336 1.912 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)ccc21 ZINC000729285051 574744781 /nfs/dbraw/zinc/74/47/81/574744781.db2.gz STZDYXBJWSZDRH-HNNXBMFYSA-N 1 0 287.407 1.637 20 10 CDCDRO C[N@@H+]1CC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000733975167 575147066 /nfs/dbraw/zinc/14/70/66/575147066.db2.gz YISPUGUYDVMGRX-SNVBAGLBSA-N 1 0 285.438 1.693 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000773730406 575836272 /nfs/dbraw/zinc/83/62/72/575836272.db2.gz GROFZFFEDWHKHY-OAHLLOKOSA-N 1 0 275.396 1.983 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000764680139 575933535 /nfs/dbraw/zinc/93/35/35/575933535.db2.gz ZEUZGSPVEGNQEQ-HNNXBMFYSA-N 1 0 279.380 1.968 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000766467205 576104753 /nfs/dbraw/zinc/10/47/53/576104753.db2.gz GJDNMDHAONTLLF-CQSZACIVSA-N 1 0 265.309 1.204 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C(C)=O)CC1 ZINC000768215366 576264869 /nfs/dbraw/zinc/26/48/69/576264869.db2.gz DXWYGYIYLXOSMW-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccco1 ZINC000768840499 576312570 /nfs/dbraw/zinc/31/25/70/576312570.db2.gz DNAVKDZYPGVMLT-GFCCVEGCSA-N 1 0 261.321 1.926 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c(O)c1 ZINC000769383880 576350571 /nfs/dbraw/zinc/35/05/71/576350571.db2.gz NBCWTMPLQIDWOJ-HNNXBMFYSA-N 1 0 295.379 1.764 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCOC2)c1O ZINC000754726164 576912424 /nfs/dbraw/zinc/91/24/24/576912424.db2.gz FDGMZYNJSOXWPK-GFCCVEGCSA-N 1 0 251.326 1.930 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000754890328 576921211 /nfs/dbraw/zinc/92/12/11/576921211.db2.gz QYEFFWMGMCZGJE-SNVBAGLBSA-N 1 0 285.365 1.068 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756659287 576999003 /nfs/dbraw/zinc/99/90/03/576999003.db2.gz COIUSXHYBBFEKV-MRTMQBJTSA-N 1 0 266.316 1.933 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000759174051 577157355 /nfs/dbraw/zinc/15/73/55/577157355.db2.gz UFJPWOARZHGPFE-ABAIWWIYSA-N 1 0 295.335 1.405 20 10 CDCDRO CN(C)c1ccc([C@@H](CNC(=O)CCF)[NH+](C)C)cc1 ZINC000891245314 617390856 /nfs/dbraw/zinc/39/08/56/617390856.db2.gz CMJAYYNBXNETOB-CQSZACIVSA-N 1 0 281.375 1.831 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000892004616 617402551 /nfs/dbraw/zinc/40/25/51/617402551.db2.gz HNWGDJRRDLXOFM-MNOVXSKESA-N 1 0 263.341 1.504 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000930852561 617549503 /nfs/dbraw/zinc/54/95/03/617549503.db2.gz LIRPWTLOSAAIAN-ZDUSSCGKSA-N 1 0 266.385 1.834 20 10 CDCDRO [NH3+]CCCCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000892208622 617552870 /nfs/dbraw/zinc/55/28/70/617552870.db2.gz VCBLIONUBDIGKA-UHFFFAOYSA-N 1 0 277.368 1.937 20 10 CDCDRO C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccccc1O ZINC000892221531 617562360 /nfs/dbraw/zinc/56/23/60/617562360.db2.gz ZGCUERBGIPARDS-LLVKDONJSA-N 1 0 277.368 1.881 20 10 CDCDRO C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000892261314 617596912 /nfs/dbraw/zinc/59/69/12/617596912.db2.gz LGMIZTFVYBCHTQ-RWWNRMGGSA-N 1 0 275.352 1.504 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C)c(O)c1OC ZINC000892720825 617648120 /nfs/dbraw/zinc/64/81/20/617648120.db2.gz GIYDOBONQHCRLR-LBPRGKRZSA-N 1 0 280.368 1.593 20 10 CDCDRO COc1ccc(C[NH2+]CCN(C)C(C)C)c(O)c1OC ZINC000892785521 617747380 /nfs/dbraw/zinc/74/73/80/617747380.db2.gz GOLDUVBSNGPBIT-UHFFFAOYSA-N 1 0 282.384 1.839 20 10 CDCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893661834 617812800 /nfs/dbraw/zinc/81/28/00/617812800.db2.gz SDFQUAKSKSBWSF-ITKZLYELSA-N 1 0 281.352 1.826 20 10 CDCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893661837 617812996 /nfs/dbraw/zinc/81/29/96/617812996.db2.gz SDFQUAKSKSBWSF-ZYOFXKKJSA-N 1 0 281.352 1.826 20 10 CDCDRO COc1ccc(C[NH2+]CC2(O)CCOCC2)c(O)c1OC ZINC000892913643 617894350 /nfs/dbraw/zinc/89/43/50/617894350.db2.gz GACKNYULKXAJAH-UHFFFAOYSA-N 1 0 297.351 1.041 20 10 CDCDRO CCC1([NH3+])CCN(C(=O)NCc2ccccc2O)CC1 ZINC000892917130 617898074 /nfs/dbraw/zinc/89/80/74/617898074.db2.gz DYHULKNKCXABIF-UHFFFAOYSA-N 1 0 277.368 1.805 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000840977854 617983991 /nfs/dbraw/zinc/98/39/91/617983991.db2.gz KLSNYKGFOHXXBF-VXGBXAGGSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000893984985 618237784 /nfs/dbraw/zinc/23/77/84/618237784.db2.gz WFGVNGZAQCJILI-ZDUSSCGKSA-N 1 0 292.379 1.810 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCC(=O)NC2CC2)c1O ZINC000894179467 618663617 /nfs/dbraw/zinc/66/36/17/618663617.db2.gz CTIDSNKRHVEADA-UHFFFAOYSA-N 1 0 292.379 1.858 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c1O ZINC000894345976 618804734 /nfs/dbraw/zinc/80/47/34/618804734.db2.gz NYLHMGAQLDOSGS-IUODEOHRSA-N 1 0 294.395 1.518 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C)c1O ZINC000894391090 618846193 /nfs/dbraw/zinc/84/61/93/618846193.db2.gz DXWSAKAHDAKYAP-NSHDSACASA-N 1 0 252.358 1.749 20 10 CDCDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1COCO1 ZINC000894890165 619124942 /nfs/dbraw/zinc/12/49/42/619124942.db2.gz RFSKWLSZHQDFRX-JTQLQIEISA-N 1 0 288.141 1.617 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1 ZINC000895327359 619570331 /nfs/dbraw/zinc/57/03/31/619570331.db2.gz MOMUQTSTGNBQAQ-SJORKVTESA-N 1 0 292.423 1.850 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](CO)C2)cc1OC ZINC000897357975 620574850 /nfs/dbraw/zinc/57/48/50/620574850.db2.gz RCCHZDQBZIECJN-HOMQSWHASA-N 1 0 267.325 1.270 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898206009 621362401 /nfs/dbraw/zinc/36/24/01/621362401.db2.gz JQKKGCKGEONPPN-GFCCVEGCSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@@H](O)[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929185624 621563085 /nfs/dbraw/zinc/56/30/85/621563085.db2.gz WFJWGUSJQUSOOS-RHSMWYFYSA-N 1 0 292.423 1.850 20 10 CDCDRO CCOc1cccc(CNC[C@@]2(COC)CCC[NH2+]2)c1O ZINC000841067213 621698786 /nfs/dbraw/zinc/69/87/86/621698786.db2.gz KSBJTKGVIORROR-MRXNPFEDSA-N 1 0 294.395 1.649 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCN3C)CC2)cc1 ZINC000903325024 625968335 /nfs/dbraw/zinc/96/83/35/625968335.db2.gz XPSJTPOODSJTCE-INIZCTEOSA-N 1 0 289.423 1.958 20 10 CDCDRO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1O ZINC000905359988 626769307 /nfs/dbraw/zinc/76/93/07/626769307.db2.gz QDUSVAMEGUAGRU-NSHDSACASA-N 1 0 298.408 1.372 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c(O)cc1C ZINC000905695516 626941606 /nfs/dbraw/zinc/94/16/06/626941606.db2.gz HLJUWBMVGDJCLL-GFCCVEGCSA-N 1 0 293.363 1.904 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(O)cc1O ZINC000910956788 629118100 /nfs/dbraw/zinc/11/81/00/629118100.db2.gz ZSFQJVONTQQOKU-UHFFFAOYSA-N 1 0 252.314 1.056 20 10 CDCDRO CN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000921813228 633315077 /nfs/dbraw/zinc/31/50/77/633315077.db2.gz CSDUUSFIVJMJQO-AWEZNQCLSA-N 1 0 274.364 1.722 20 10 CDCDRO [NH3+]Cc1cc(NCC(=O)c2ccc(O)c(O)c2)ccn1 ZINC001170323352 1162337082 /nfs/dbraw/zinc/33/70/82/1162337082.db2.gz YBMUBGFNRCVGHZ-UHFFFAOYSA-N 1 0 273.292 1.246 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000250984837 1159352673 /nfs/dbraw/zinc/35/26/73/1159352673.db2.gz RFABNIUYMMAQQK-TUAOUCFPSA-N 1 0 265.353 1.846 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)[C@H](C)[NH3+] ZINC001609777916 1165077628 /nfs/dbraw/zinc/07/76/28/1165077628.db2.gz XPDKCPAGBLMWQK-YIZRAAEISA-N 1 0 252.314 1.477 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC001574136361 1170894467 /nfs/dbraw/zinc/89/44/67/1170894467.db2.gz DBVLSBNYARGGEN-CZUORRHYSA-N 1 0 289.423 1.860 20 10 CDCDRO O=C(CN1CC[NH2+]CC1)NCc1c(O)ccc2ccccc21 ZINC001580549137 1172464982 /nfs/dbraw/zinc/46/49/82/1172464982.db2.gz LQRIUDLRBJNTQY-UHFFFAOYSA-N 1 0 299.374 1.067 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN(C)C)c1 ZINC000133855413 1175809148 /nfs/dbraw/zinc/80/91/48/1175809148.db2.gz NPBRXARSTLAFQV-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(C)ccc1O ZINC000843123694 705315733 /nfs/dbraw/zinc/31/57/33/705315733.db2.gz NPDOLTNGKHDPDD-CYBMUJFWSA-N 1 0 278.352 1.038 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](CCO)C2CCOCC2)c(O)c1 ZINC000877367103 705334873 /nfs/dbraw/zinc/33/48/73/705334873.db2.gz BOSDVCWPLNMXSS-OAHLLOKOSA-N 1 0 279.380 1.968 20 10 CDCDRO O=C(NCc1ccccc1O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000848426266 705334897 /nfs/dbraw/zinc/33/48/97/705334897.db2.gz BTOXSUUUROEHAL-IUODEOHRSA-N 1 0 260.337 1.398 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000841943589 705424578 /nfs/dbraw/zinc/42/45/78/705424578.db2.gz RLCCJCFNOUUYIX-QWRGUYRKSA-N 1 0 293.367 1.513 20 10 CDCDRO CCN1CCC[N@H+](Cc2ccc(C)cc2O)CC1=O ZINC000877466648 705484903 /nfs/dbraw/zinc/48/49/03/705484903.db2.gz ONUFJPIXBSYBOE-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)CO ZINC000877543356 705522487 /nfs/dbraw/zinc/52/24/87/705522487.db2.gz FPXHNXWMOREJRL-CQSZACIVSA-N 1 0 292.423 1.850 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C[C@@H](C)O)C2CC2)c1 ZINC000848929691 705527801 /nfs/dbraw/zinc/52/78/01/705527801.db2.gz YTAKFLONSMMLGX-SNVBAGLBSA-N 1 0 251.326 1.746 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1c(O)cccc1OC ZINC000809740844 705666442 /nfs/dbraw/zinc/66/64/42/705666442.db2.gz KBQRNLGEMNGCDX-UHFFFAOYSA-N 1 0 282.384 1.411 20 10 CDCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000842226186 705689443 /nfs/dbraw/zinc/68/94/43/705689443.db2.gz MBXMLTSWEIHOGT-KBPBESRZSA-N 1 0 267.369 1.615 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825159446 705706850 /nfs/dbraw/zinc/70/68/50/705706850.db2.gz BKRFKSGVNJVGSR-UHFFFAOYSA-N 1 0 256.733 1.580 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(O)c1O ZINC000234059476 705726970 /nfs/dbraw/zinc/72/69/70/705726970.db2.gz NRBNEPDHRJZTKV-NSHDSACASA-N 1 0 278.352 1.654 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1([NH3+])CC1 ZINC000088130435 705733469 /nfs/dbraw/zinc/73/34/69/705733469.db2.gz FRMLCAYRGZNJFA-UHFFFAOYSA-N 1 0 261.369 1.592 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000877600683 705765730 /nfs/dbraw/zinc/76/57/30/705765730.db2.gz QRZKKCNGSPEFDF-UHFFFAOYSA-N 1 0 289.379 1.690 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981040 705767107 /nfs/dbraw/zinc/76/71/07/705767107.db2.gz XTQKXNWQHHJULL-DYVFJYSZSA-N 1 0 291.439 1.858 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000249881359 705802938 /nfs/dbraw/zinc/80/29/38/705802938.db2.gz HQMYMKVUAUJYOH-WCQYABFASA-N 1 0 265.353 1.994 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1=CC(=O)CS1 ZINC000822156405 705832216 /nfs/dbraw/zinc/83/22/16/705832216.db2.gz QIZLPUUDGSRJSN-WDEREUQCSA-N 1 0 266.366 1.810 20 10 CDCDRO OC[C@H](CCF)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922221983 705849487 /nfs/dbraw/zinc/84/94/87/705849487.db2.gz MEJFZRNINDLRBP-ZDUSSCGKSA-N 1 0 253.317 1.822 20 10 CDCDRO CC(C)(CN1CCOCC1)[NH2+]Cc1cc(F)ccc1O ZINC000308630314 705874342 /nfs/dbraw/zinc/87/43/42/705874342.db2.gz DVKMKNPYONQFPP-UHFFFAOYSA-N 1 0 282.359 1.732 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000797417363 705883584 /nfs/dbraw/zinc/88/35/84/705883584.db2.gz RFWPSZUZGLKTSJ-INIZCTEOSA-N 1 0 276.380 1.967 20 10 CDCDRO Cc1cc(C(=O)N[C@H](C)CC[NH3+])c(C)n1-c1ccccn1 ZINC000834452085 705891652 /nfs/dbraw/zinc/89/16/52/705891652.db2.gz FOSDIZPMGCSYKZ-LLVKDONJSA-N 1 0 286.379 1.956 20 10 CDCDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cc2c(cc1O)OCO2 ZINC000846699514 705896682 /nfs/dbraw/zinc/89/66/82/705896682.db2.gz UCJNJBZCZOAQCY-GXSJLCMTSA-N 1 0 264.325 1.433 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCC1(C)OCCO1 ZINC000877346192 705903186 /nfs/dbraw/zinc/90/31/86/705903186.db2.gz IUMFPLXSODBHAL-UHFFFAOYSA-N 1 0 251.326 1.943 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1 ZINC000840825773 705951784 /nfs/dbraw/zinc/95/17/84/705951784.db2.gz LHZIEALZYOKOSQ-NEPJUHHUSA-N 1 0 262.353 1.877 20 10 CDCDRO C[C@@H]1COCC[C@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817942916 705985141 /nfs/dbraw/zinc/98/51/41/705985141.db2.gz RNHBAPVSRHZDKD-UHOFOFEASA-N 1 0 277.412 1.767 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)[C@H](C)C[NH3+])c1O ZINC000843350100 705993227 /nfs/dbraw/zinc/99/32/27/705993227.db2.gz KDYHGBBFTBKPHP-MRVPVSSYSA-N 1 0 254.305 1.513 20 10 CDCDRO C[C@H](NC(=O)N(C)CCC[NH3+])c1ccc(N(C)C)cc1 ZINC000841881621 706053895 /nfs/dbraw/zinc/05/38/95/706053895.db2.gz AKZWCBLUTYRCBM-LBPRGKRZSA-N 1 0 278.400 1.804 20 10 CDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cnccc1N ZINC000817957072 706062328 /nfs/dbraw/zinc/06/23/28/706062328.db2.gz IHHATKFPBDVEFD-LLVKDONJSA-N 1 0 256.353 1.970 20 10 CDCDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000841881987 706066703 /nfs/dbraw/zinc/06/67/03/706066703.db2.gz FXUMAISXNNEFRA-JSGCOSHPSA-N 1 0 290.411 1.865 20 10 CDCDRO CC(=O)N[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000228301340 706241283 /nfs/dbraw/zinc/24/12/83/706241283.db2.gz PVVMVUQLJHNTLO-CYBMUJFWSA-N 1 0 294.326 1.444 20 10 CDCDRO O=C(C[NH+]1CCCC1)NCCCSc1nccs1 ZINC000874467086 706243886 /nfs/dbraw/zinc/24/38/86/706243886.db2.gz WTRXRGYOMLOKGC-UHFFFAOYSA-N 1 0 285.438 1.837 20 10 CDCDRO C[NH2+]CCNCc1cc(Br)cc(OC)c1O ZINC000841034839 706247753 /nfs/dbraw/zinc/24/77/53/706247753.db2.gz FXSZNIOJFSCHJD-UHFFFAOYSA-N 1 0 289.173 1.472 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1O ZINC000846142384 709556931 /nfs/dbraw/zinc/55/69/31/709556931.db2.gz SHGXLWSKEQJZDX-WCQYABFASA-N 1 0 295.379 1.839 20 10 CDCDRO COC[C@@]1(C(=O)N(C)Cc2ccccc2O)CCCC[NH2+]1 ZINC000876606162 709669024 /nfs/dbraw/zinc/66/90/24/709669024.db2.gz WGJOBORZXDAJPX-MRXNPFEDSA-N 1 0 292.379 1.509 20 10 CDCDRO Cc1cncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832274831 709746634 /nfs/dbraw/zinc/74/66/34/709746634.db2.gz ZNYBBTZSCXHBLZ-MRXNPFEDSA-N 1 0 298.390 1.886 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617129 709803428 /nfs/dbraw/zinc/80/34/28/709803428.db2.gz KTXIUPQKZAYRGY-DTWKUNHWSA-N 1 0 254.305 1.707 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)C(F)(F)F ZINC000877693908 709824797 /nfs/dbraw/zinc/82/47/97/709824797.db2.gz UEMUAJXNAAFXAF-LHLIQPBNSA-N 1 0 267.222 1.933 20 10 CDCDRO CCc1cccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c1O ZINC000848906008 709939537 /nfs/dbraw/zinc/93/95/37/709939537.db2.gz PLVLKWHZYHQMFR-SMDDNHRTSA-N 1 0 265.353 1.536 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2(CC(N)=O)CC2)c(O)c1 ZINC000817411058 709956478 /nfs/dbraw/zinc/95/64/78/709956478.db2.gz LYVANXUVOQGOPI-UHFFFAOYSA-N 1 0 278.352 1.536 20 10 CDCDRO Oc1ccccc1C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865441006 710014368 /nfs/dbraw/zinc/01/43/68/710014368.db2.gz ADXAVPDGGUCLDR-AWEZNQCLSA-N 1 0 288.351 1.453 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)c(O)c1 ZINC000858300705 710031833 /nfs/dbraw/zinc/03/18/33/710031833.db2.gz MLNWFUTWUFMDJG-TZMCWYRMSA-N 1 0 267.325 1.030 20 10 CDCDRO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C[NH2+]1 ZINC000843119762 710045976 /nfs/dbraw/zinc/04/59/76/710045976.db2.gz IROLQJLTTCHIBW-UWVGGRQHSA-N 1 0 264.325 1.303 20 10 CDCDRO CCOCCOCC[NH2+]Cc1cccc(OC)c1O ZINC000922941628 710167593 /nfs/dbraw/zinc/16/75/93/710167593.db2.gz OQFKCNJLLUWOJC-UHFFFAOYSA-N 1 0 269.341 1.544 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(F)ccc1O ZINC000706772677 710172996 /nfs/dbraw/zinc/17/29/96/710172996.db2.gz AVJIAQPCSSBWSX-RLCGTCKNSA-N 1 0 255.289 1.332 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)ccc21 ZINC000844177575 710209465 /nfs/dbraw/zinc/20/94/65/710209465.db2.gz KYUUJXUQNYBELM-FOLVSLTJSA-N 1 0 285.391 1.151 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000828667088 710214390 /nfs/dbraw/zinc/21/43/90/710214390.db2.gz MUWMLNYRALWRCD-AEJSXWLSSA-N 1 0 266.341 1.561 20 10 CDCDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182434561 710238271 /nfs/dbraw/zinc/23/82/71/710238271.db2.gz NSOLIANCEHYOCV-WDEREUQCSA-N 1 0 269.341 1.449 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2ccc(C)cc2O)CC1=O ZINC000877613248 710276788 /nfs/dbraw/zinc/27/67/88/710276788.db2.gz BVHLAVWINBRVLQ-LBPRGKRZSA-N 1 0 262.353 1.659 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181150994 710276971 /nfs/dbraw/zinc/27/69/71/710276971.db2.gz ACWPOXVDLFEFQW-SOFGYWHQSA-N 1 0 292.379 1.959 20 10 CDCDRO C[N@H+](CC1=CCSC1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000853620508 710294378 /nfs/dbraw/zinc/29/43/78/710294378.db2.gz SODVUYBZWUKAMC-CQSZACIVSA-N 1 0 293.388 1.923 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000931277429 710327114 /nfs/dbraw/zinc/32/71/14/710327114.db2.gz KKLUHUGRBIVCKC-ZSHCYNCHSA-N 1 0 259.397 1.744 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]2C1 ZINC000313076847 710340072 /nfs/dbraw/zinc/34/00/72/710340072.db2.gz WJYFDWVXJHLAQF-MNOVXSKESA-N 1 0 276.336 1.122 20 10 CDCDRO C[C@H]1[NH2+]CCN(C(=O)NCCc2ccc(N)cc2)[C@@H]1C ZINC000841955935 710347101 /nfs/dbraw/zinc/34/71/01/710347101.db2.gz RSYKSYPEZCAJTK-VXGBXAGGSA-N 1 0 276.384 1.203 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNc1nc(N)[nH+]c(N)n1 ZINC000858413139 710391317 /nfs/dbraw/zinc/39/13/17/710391317.db2.gz ABASMKZERVKNTD-UHFFFAOYSA-N 1 0 273.344 1.023 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000190044661 710412043 /nfs/dbraw/zinc/41/20/43/710412043.db2.gz KBDGFZSFEUCXGX-PWSUYJOCSA-N 1 0 251.326 1.604 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000848916372 710440849 /nfs/dbraw/zinc/44/08/49/710440849.db2.gz GSKKSKGOAFVBFT-ZDUSSCGKSA-N 1 0 262.353 1.570 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)c(O)c1 ZINC000876736143 710458800 /nfs/dbraw/zinc/45/88/00/710458800.db2.gz RXKCDPJDKURHKL-UHFFFAOYSA-N 1 0 286.379 1.756 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(C)cc1O ZINC000840802357 710466379 /nfs/dbraw/zinc/46/63/79/710466379.db2.gz IBZQLQGRAWXZJK-TZMCWYRMSA-N 1 0 290.367 1.394 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000846108372 710483025 /nfs/dbraw/zinc/48/30/25/710483025.db2.gz CGBANGPYQCBPGE-INIZCTEOSA-N 1 0 295.379 1.812 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c(O)c1 ZINC000702637003 710484816 /nfs/dbraw/zinc/48/48/16/710484816.db2.gz RJKPIHJOWGKFDJ-SWLSCSKDSA-N 1 0 264.369 1.418 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000787424198 710501665 /nfs/dbraw/zinc/50/16/65/710501665.db2.gz POVVDFWCYQWMTK-RWSFTLGLSA-N 1 0 290.363 1.487 20 10 CDCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121178 710504638 /nfs/dbraw/zinc/50/46/38/710504638.db2.gz AYHQVUNDQLCPPN-QWHCGFSZSA-N 1 0 278.396 1.507 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000227706466 710529875 /nfs/dbraw/zinc/52/98/75/710529875.db2.gz ZYBPEYKTAYMQAC-MRXNPFEDSA-N 1 0 294.395 1.274 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)O1 ZINC000783722597 710558199 /nfs/dbraw/zinc/55/81/99/710558199.db2.gz HLYLMYKXLQXHBN-UHFFFAOYSA-N 1 0 280.299 1.606 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(CC)C2=O)c1O ZINC000922639691 710579356 /nfs/dbraw/zinc/57/93/56/710579356.db2.gz NXNPOKNBQXXNJA-CYBMUJFWSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN)C2CC2)c1 ZINC000817960401 710735296 /nfs/dbraw/zinc/73/52/96/710735296.db2.gz MUSNBVPGYOBWCC-RNCFNFMXSA-N 1 0 250.342 1.789 20 10 CDCDRO CCOc1ccc(C[N@H+](C)C[C@@H]2COCCO2)c(O)c1 ZINC000827140081 710763303 /nfs/dbraw/zinc/76/33/03/710763303.db2.gz HKXPUIRLOWGNPL-CQSZACIVSA-N 1 0 281.352 1.638 20 10 CDCDRO COC(=O)CC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000237132903 710786286 /nfs/dbraw/zinc/78/62/86/710786286.db2.gz YRCNFCWXJREIBE-UHFFFAOYSA-N 1 0 267.325 1.832 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000848909078 710798613 /nfs/dbraw/zinc/79/86/13/710798613.db2.gz KAANZEZNCWNEQT-SNVBAGLBSA-N 1 0 268.332 1.518 20 10 CDCDRO Cc1nccn1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708495473 710804221 /nfs/dbraw/zinc/80/42/21/710804221.db2.gz XOQGEIWULSRSHR-UHFFFAOYSA-N 1 0 267.279 1.965 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(C)C)c1 ZINC000135728011 710818758 /nfs/dbraw/zinc/81/87/58/710818758.db2.gz YPJWREFGCHBVER-LLVKDONJSA-N 1 0 280.368 1.824 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000802310476 710828885 /nfs/dbraw/zinc/82/88/85/710828885.db2.gz VYIXYZHNQVHVBZ-IQJOONFLSA-N 1 0 269.316 1.677 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000797414119 710839665 /nfs/dbraw/zinc/83/96/65/710839665.db2.gz VCCYEWNQBKJJSZ-MRXNPFEDSA-N 1 0 292.379 1.667 20 10 CDCDRO O[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858296037 711415006 /nfs/dbraw/zinc/41/50/06/711415006.db2.gz JLBRVGYIXMWYIF-OKILXGFUSA-N 1 0 294.370 1.523 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000840921574 711417577 /nfs/dbraw/zinc/41/75/77/711417577.db2.gz WWCMKHPJTAFWMU-CZUORRHYSA-N 1 0 278.396 1.643 20 10 CDCDRO CCc1cccc(C[NH+]2CCN(CCOC)CC2)c1O ZINC000848881715 711479978 /nfs/dbraw/zinc/47/99/78/711479978.db2.gz SXNFTZNCZSGSMO-UHFFFAOYSA-N 1 0 278.396 1.719 20 10 CDCDRO C[C@H]1COCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000091814873 711490758 /nfs/dbraw/zinc/49/07/58/711490758.db2.gz HBWRCZHOTPDBCM-ZDUSSCGKSA-N 1 0 294.370 1.883 20 10 CDCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000794711872 711492977 /nfs/dbraw/zinc/49/29/77/711492977.db2.gz LCCBNLGHNLVNIV-INIZCTEOSA-N 1 0 285.347 1.638 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1F ZINC000858339227 711561466 /nfs/dbraw/zinc/56/14/66/711561466.db2.gz SHZJJPVJCKIHLL-ZDUSSCGKSA-N 1 0 281.375 1.048 20 10 CDCDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000825045578 711564245 /nfs/dbraw/zinc/56/42/45/711564245.db2.gz HHJZIYOYMMIWBT-JTQLQIEISA-N 1 0 289.335 1.575 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000840822425 711567279 /nfs/dbraw/zinc/56/72/79/711567279.db2.gz NAFMXCMKKZMTKW-LLVKDONJSA-N 1 0 278.352 1.338 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC000922157677 711572106 /nfs/dbraw/zinc/57/21/06/711572106.db2.gz CODHALJIEDIUGH-AWEZNQCLSA-N 1 0 274.364 1.722 20 10 CDCDRO C[C@H](NC(=O)c1cccc(O)c1O)C(C)(C)C[NH+](C)C ZINC000193090715 711596970 /nfs/dbraw/zinc/59/69/70/711596970.db2.gz KCLSOUPQTZLKGF-JTQLQIEISA-N 1 0 280.368 1.804 20 10 CDCDRO C[C@H]1CN(C(=O)C2=CC(=O)CS2)CCN1CC(C)(C)O ZINC000782077790 711619735 /nfs/dbraw/zinc/61/97/35/711619735.db2.gz FRKFRHJYJQFSGT-JTQLQIEISA-N 1 0 298.408 1.371 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CCO)C[C@H](C)O)cc1 ZINC000815119899 711636424 /nfs/dbraw/zinc/63/64/24/711636424.db2.gz KBKDSRHHNKFAJG-ZDUSSCGKSA-N 1 0 266.385 1.318 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000825158550 711658224 /nfs/dbraw/zinc/65/82/24/711658224.db2.gz PTGWZXVEARELQW-AWEZNQCLSA-N 1 0 269.316 1.362 20 10 CDCDRO CCC[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000789943763 711691073 /nfs/dbraw/zinc/69/10/73/711691073.db2.gz FLJPUYPNBZABFY-UHFFFAOYSA-N 1 0 296.342 1.841 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882190 711700658 /nfs/dbraw/zinc/70/06/58/711700658.db2.gz XKIPHRQMZBVGRE-WCQYABFASA-N 1 0 278.400 1.850 20 10 CDCDRO COCC[C@@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315591 711708862 /nfs/dbraw/zinc/70/88/62/711708862.db2.gz UDZZKGDQFNQJBE-CQSZACIVSA-N 1 0 292.379 1.251 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000167856444 711717007 /nfs/dbraw/zinc/71/70/07/711717007.db2.gz RBOJPAFBIXXIQW-MWLCHTKSSA-N 1 0 281.327 1.937 20 10 CDCDRO CO[C@]1(C[N@H+](C)Cc2ccccc2O)CCOC1 ZINC000876615520 711718568 /nfs/dbraw/zinc/71/85/68/711718568.db2.gz GZKYXBLJFFPGNE-AWEZNQCLSA-N 1 0 251.326 1.630 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H]3[C@@H](C1)C3(F)F)[C@@H](O)CO2 ZINC000844758564 711734162 /nfs/dbraw/zinc/73/41/62/711734162.db2.gz TXADFAZTCOLBQR-UMNHJUIQSA-N 1 0 283.274 1.515 20 10 CDCDRO COCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877110068 711734765 /nfs/dbraw/zinc/73/47/65/711734765.db2.gz LXOSIISBPWPHGM-UHFFFAOYSA-N 1 0 290.407 1.916 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000840178220 711737034 /nfs/dbraw/zinc/73/70/34/711737034.db2.gz NAPVFFHLPUNJSB-GFCCVEGCSA-N 1 0 292.379 1.619 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCC(O)(CO)CC2)cc1Cl ZINC000827141973 711753001 /nfs/dbraw/zinc/75/30/01/711753001.db2.gz ZYFSLLYBVHHRCD-UHFFFAOYSA-N 1 0 285.771 1.673 20 10 CDCDRO COc1cccc(C[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000037138409 711759373 /nfs/dbraw/zinc/75/93/73/711759373.db2.gz LQVYKXZJBXNWIY-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(C)cc1O ZINC000886745408 711760995 /nfs/dbraw/zinc/76/09/95/711760995.db2.gz WIXDJPMGJGOJFP-CYBMUJFWSA-N 1 0 277.368 1.767 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000707704888 711770034 /nfs/dbraw/zinc/77/00/34/711770034.db2.gz WGGLFRIICYBWBK-MXWKQRLJSA-N 1 0 251.326 1.822 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000846168249 711777018 /nfs/dbraw/zinc/77/70/18/711777018.db2.gz IYMYYQBAPBLUST-BONVTDFDSA-N 1 0 278.352 1.720 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(C)c(=O)c2)c1 ZINC000775376079 711779317 /nfs/dbraw/zinc/77/93/17/711779317.db2.gz RWAIEABKCRJVDF-LLVKDONJSA-N 1 0 288.347 1.950 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000877547069 711779559 /nfs/dbraw/zinc/77/95/59/711779559.db2.gz QEXNSQXUYKCRKX-GFCCVEGCSA-N 1 0 283.393 1.567 20 10 CDCDRO Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)c(O)c1O ZINC000780938742 711782950 /nfs/dbraw/zinc/78/29/50/711782950.db2.gz DSYSDPUGBAWJJS-UHFFFAOYSA-N 1 0 292.379 1.820 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000832496568 711800005 /nfs/dbraw/zinc/80/00/05/711800005.db2.gz VGGGZZKRKLQZPV-NXEZZACHSA-N 1 0 254.355 1.666 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCO2)c(O)c1 ZINC000817983792 711802846 /nfs/dbraw/zinc/80/28/46/711802846.db2.gz QLJZZUACPGRDIP-VXGBXAGGSA-N 1 0 250.342 1.340 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2c(C)cccc2O)CCOC1 ZINC000877371522 711808599 /nfs/dbraw/zinc/80/85/99/711808599.db2.gz IYLGMQILJGKWKS-CQSZACIVSA-N 1 0 251.326 1.596 20 10 CDCDRO CC[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C ZINC000779542255 711810002 /nfs/dbraw/zinc/81/00/02/711810002.db2.gz OBMMSNUZEMBFBU-HWPRWLFBSA-N 1 0 290.363 1.664 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCN(CCOC)C2)c1O ZINC000848896721 711813126 /nfs/dbraw/zinc/81/31/26/711813126.db2.gz HUWTVMXEUOHECC-HNNXBMFYSA-N 1 0 278.396 1.765 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(c3ncc[nH]3)CC2)cc1 ZINC000846876391 711816336 /nfs/dbraw/zinc/81/63/36/711816336.db2.gz RGRAFYDYYQPKMQ-UHFFFAOYSA-N 1 0 285.395 1.798 20 10 CDCDRO CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(C)cc1O ZINC000794815407 711817488 /nfs/dbraw/zinc/81/74/88/711817488.db2.gz KKNJLSHHRQGPBH-UKRRQHHQSA-N 1 0 265.353 1.893 20 10 CDCDRO COC(=O)Cn1cc(C[NH2+][C@H](C)c2ccccc2O)nn1 ZINC000877755773 711820574 /nfs/dbraw/zinc/82/05/74/711820574.db2.gz MESPJCBMEUVWQK-SNVBAGLBSA-N 1 0 290.323 1.008 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](C)CO)cc1 ZINC000844400333 711824180 /nfs/dbraw/zinc/82/41/80/711824180.db2.gz AIWQHLGUFSCENB-CYBMUJFWSA-N 1 0 266.385 1.692 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)CN2CCCC2=O)c(O)c1 ZINC000876949881 1165947624 /nfs/dbraw/zinc/94/76/24/1165947624.db2.gz BQOLXKCZQTXPJQ-LBPRGKRZSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC001358405685 1167508976 /nfs/dbraw/zinc/50/89/76/1167508976.db2.gz BJOQRYRUJYRCMV-CQSZACIVSA-N 1 0 291.395 1.984 20 10 CDCDRO Oc1cccc(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)c1O ZINC001173759895 912806282 /nfs/dbraw/zinc/80/62/82/912806282.db2.gz VJZVJCQLDFDOCC-VXGBXAGGSA-N 1 0 289.339 1.358 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC12CC2 ZINC001140056207 894776061 /nfs/dbraw/zinc/77/60/61/894776061.db2.gz MDKBWCHANDHBIC-GFCCVEGCSA-N 1 0 279.311 1.916 20 10 CDCDRO CN1CC[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001272618139 914185286 /nfs/dbraw/zinc/18/52/86/914185286.db2.gz BXJKTDDQTIUUQO-HNNXBMFYSA-N 1 0 260.337 1.446 20 10 CDCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)S(C)(=O)=O ZINC000697631896 908855561 /nfs/dbraw/zinc/85/55/61/908855561.db2.gz DFNONXCOMXWRHQ-QMMMGPOBSA-N 1 0 261.318 1.054 20 10 CDCDRO C[N@@H+]1CCC[C@](C)(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179691249 915929806 /nfs/dbraw/zinc/92/98/06/915929806.db2.gz DXRLQLXXHKMPOQ-YERXGYGTSA-N 1 0 290.363 1.712 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H](F)C[C@H]([NH3+])C1 ZINC001206432146 916618453 /nfs/dbraw/zinc/61/84/53/916618453.db2.gz BHMWQCSULOLMKN-OLZOCXBDSA-N 1 0 281.375 1.632 20 10 CDCDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(O)cc1O ZINC001204279544 916630655 /nfs/dbraw/zinc/63/06/55/916630655.db2.gz ATRWIMZLNVMUBK-ZDUSSCGKSA-N 1 0 267.325 1.727 20 10 CDCDRO Cc1nc2c(o1)CCN(Cc1ccc(O)cc1O)C2 ZINC001204283107 916686952 /nfs/dbraw/zinc/68/69/52/916686952.db2.gz ZDNMNJCFKDMDPQ-UHFFFAOYSA-N 1 0 260.293 1.953 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(Cl)c1 ZINC001206445098 916907348 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FWFRMBNJGYGFOM-NOZJJQNGSA-N 1 0 268.744 1.587 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[C@]3([NH3+])C2)c(Cl)c1 ZINC001236027020 944382474 /nfs/dbraw/zinc/38/24/74/944382474.db2.gz MYZGOZUJSGIXAP-SDBXPKJASA-N 1 0 268.744 1.587 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001236170794 944420433 /nfs/dbraw/zinc/42/04/33/944420433.db2.gz LAIJCSKTFGCEIY-MRXNPFEDSA-N 1 0 271.408 1.918 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@@H]2C[NH3+])c(Cl)c1 ZINC001236251365 944436966 /nfs/dbraw/zinc/43/69/66/944436966.db2.gz SKZAHFCEWUCMDC-SECBINFHSA-N 1 0 270.760 1.977 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC001236281256 944442797 /nfs/dbraw/zinc/44/27/97/944442797.db2.gz AORVBPBRSIAKCD-GOEBONIOSA-N 1 0 259.397 1.936 20 10 CDCDRO Oc1cc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)cc1Br ZINC001236288953 944447408 /nfs/dbraw/zinc/44/74/08/944447408.db2.gz HBBNQOUTXKUEJO-SCZZXKLOSA-N 1 0 299.168 1.264 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c(O)c1 ZINC001236806916 944572771 /nfs/dbraw/zinc/57/27/71/944572771.db2.gz CLAIVUCKNUQXKG-RYUDHWBXSA-N 1 0 283.343 1.862 20 10 CDCDRO COc1cc(C)c(C[N@H+]2CC[C@@H](OC)C2)c(O)c1 ZINC001236807199 944573282 /nfs/dbraw/zinc/57/32/82/944573282.db2.gz DRDQFSTUEFTWKA-LLVKDONJSA-N 1 0 251.326 1.930 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001236808568 944575801 /nfs/dbraw/zinc/57/58/01/944575801.db2.gz PUWLAGHKNRAKSH-TZMCWYRMSA-N 1 0 269.316 1.614 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1c(O)cc(OC)cc1OC ZINC001236868210 944595698 /nfs/dbraw/zinc/59/56/98/944595698.db2.gz IIBXNDCUOKRZFC-JTQLQIEISA-N 1 0 268.357 1.579 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N(C)C)cc1O ZINC001236883437 944599787 /nfs/dbraw/zinc/59/97/87/944599787.db2.gz AQUVAGOKSCCJPW-LBPRGKRZSA-N 1 0 251.374 1.627 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC(=O)NC2(CCCC2)C1 ZINC001237495662 944816530 /nfs/dbraw/zinc/81/65/30/944816530.db2.gz TXRQWKSZALFVIY-UHFFFAOYSA-N 1 0 274.364 1.945 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)c(OC)c1 ZINC001237674743 944917186 /nfs/dbraw/zinc/91/71/86/944917186.db2.gz MGFXUMRARXEEQQ-STQMWFEESA-N 1 0 299.342 1.704 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC001261791743 946280201 /nfs/dbraw/zinc/28/02/01/946280201.db2.gz ZKTYLNVPKDJFLH-MJBXVCDLSA-N 1 0 290.407 1.905 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)CN1 ZINC001246240981 948049999 /nfs/dbraw/zinc/04/99/99/948049999.db2.gz UGSJHXOXMZSMEI-LOWVWBTDSA-N 1 0 278.352 1.336 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246866489 948491772 /nfs/dbraw/zinc/49/17/72/948491772.db2.gz UOAIJICHYBHOMS-OLZOCXBDSA-N 1 0 278.352 1.118 20 10 CDCDRO C[C@@H]1CC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC001257070344 948516628 /nfs/dbraw/zinc/51/66/28/948516628.db2.gz LPZVOEKBGXIJRC-IQMDTDKHSA-N 1 0 281.352 1.677 20 10 CDCDRO COC(=O)C1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001257855730 948642263 /nfs/dbraw/zinc/64/22/63/948642263.db2.gz DOPOHBWOCYPKRL-UHFFFAOYSA-N 1 0 279.336 1.919 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC001249174034 949444552 /nfs/dbraw/zinc/44/45/52/949444552.db2.gz YEQAHUQDPJBJLU-TXEJJXNPSA-N 1 0 293.363 1.717 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(O)c1 ZINC001249217879 949462227 /nfs/dbraw/zinc/46/22/27/949462227.db2.gz UHADUBWNNRIILE-MRXNPFEDSA-N 1 0 291.347 1.473 20 10 CDCDRO CCOC[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252029755 951069619 /nfs/dbraw/zinc/06/96/19/951069619.db2.gz VARWLTAWMLPSHD-LBPRGKRZSA-N 1 0 251.326 1.148 20 10 CDCDRO CCCCC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001253517460 951935557 /nfs/dbraw/zinc/93/55/57/951935557.db2.gz GBTSPRLMPBUNQW-IUODEOHRSA-N 1 0 283.368 1.662 20 10 CDCDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001308306172 956515047 /nfs/dbraw/zinc/51/50/47/956515047.db2.gz KFPXWHDHHOSLKC-AWEZNQCLSA-N 1 0 291.395 1.897 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001331456263 957074667 /nfs/dbraw/zinc/07/46/67/957074667.db2.gz PNOHPBYFLGPPJJ-GHMZBOCLSA-N 1 0 295.383 1.617 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(C)CCOC2)c(O)c1OC ZINC001333685281 958512073 /nfs/dbraw/zinc/51/20/73/958512073.db2.gz PAQHYINXZPDWJO-HNNXBMFYSA-N 1 0 281.352 1.926 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCC[NH+]1CC=CC1 ZINC001320757181 959371184 /nfs/dbraw/zinc/37/11/84/959371184.db2.gz SROYRVBUSPKWCU-GQCTYLIASA-N 1 0 274.320 1.099 20 10 CDCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC001321069449 959571257 /nfs/dbraw/zinc/57/12/57/959571257.db2.gz DEDAASGHLSXUQY-RYUDHWBXSA-N 1 0 279.336 1.832 20 10 CDCDRO [NH3+]Cc1nccnc1NCCCSc1nccs1 ZINC001336516878 960378569 /nfs/dbraw/zinc/37/85/69/960378569.db2.gz PLESZLPEIQVCFU-UHFFFAOYSA-N 1 0 281.410 1.986 20 10 CDCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)[C@H](C[NH3+])C1 ZINC001338793071 961999010 /nfs/dbraw/zinc/99/90/10/961999010.db2.gz KFPZTJRSEAVHJI-RISCZKNCSA-N 1 0 276.384 1.538 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1O ZINC001340915316 963187425 /nfs/dbraw/zinc/18/74/25/963187425.db2.gz DDWIJQSFBGJGIR-IJLUTSLNSA-N 1 0 262.353 1.958 20 10 CDCDRO Nc1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC001342023067 963613454 /nfs/dbraw/zinc/61/34/54/963613454.db2.gz RZQBLGPPWKGESP-HNNXBMFYSA-N 1 0 299.378 1.320 20 10 CDCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001347543238 965581827 /nfs/dbraw/zinc/58/18/27/965581827.db2.gz YYPRWFXQAVAWNH-LBPRGKRZSA-N 1 0 278.352 1.588 20 10 CDCDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc(O)c1O ZINC001348360598 965952452 /nfs/dbraw/zinc/95/24/52/965952452.db2.gz NKBMDAGUZQGFTJ-NSHDSACASA-N 1 0 280.368 1.948 20 10 CDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc(O)c1O ZINC001352658345 967408367 /nfs/dbraw/zinc/40/83/67/967408367.db2.gz SVBXCHUSOXKTSA-GHMZBOCLSA-N 1 0 278.352 1.587 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)c(O)c1OC ZINC001355252334 969099817 /nfs/dbraw/zinc/09/98/17/969099817.db2.gz KOZIXWAXKXQTOL-NSHDSACASA-N 1 0 294.395 1.982 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc(C)c1O ZINC000294955244 199268293 /nfs/dbraw/zinc/26/82/93/199268293.db2.gz DJVKPECTELSXPI-LBPRGKRZSA-N 1 0 286.397 1.118 20 10 CDCDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000217853236 398207527 /nfs/dbraw/zinc/20/75/27/398207527.db2.gz OBGCMILZUYSIGM-AWEZNQCLSA-N 1 0 268.426 1.956 20 10 CDCDRO C[N@H+](CCC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000016386893 348527660 /nfs/dbraw/zinc/52/76/60/348527660.db2.gz KIPWWJZIROBOQM-UHFFFAOYSA-N 1 0 275.396 1.984 20 10 CDCDRO Cn1ncc(CCC[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000297433345 282819815 /nfs/dbraw/zinc/81/98/15/282819815.db2.gz VNOHNGLLGONNJS-ZDUSSCGKSA-N 1 0 272.352 1.730 20 10 CDCDRO CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000076266301 356955081 /nfs/dbraw/zinc/95/50/81/356955081.db2.gz WEBSCKKDSKOYJV-LLVKDONJSA-N 1 0 265.309 1.732 20 10 CDCDRO COc1cc(O)c(C[N@H+](CCO)C2CC2)cc1OC ZINC000179689274 357220934 /nfs/dbraw/zinc/22/09/34/357220934.db2.gz ZXJJOFWJMFBINI-UHFFFAOYSA-N 1 0 267.325 1.366 20 10 CDCDRO OCCC[N@H+](CCO)Cc1c(O)cccc1Cl ZINC000124437912 360367478 /nfs/dbraw/zinc/36/74/78/360367478.db2.gz TYIGPRVXTYNKHK-UHFFFAOYSA-N 1 0 259.733 1.222 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CCOCCO)CC2)cc1 ZINC000159135331 361586655 /nfs/dbraw/zinc/58/66/55/361586655.db2.gz UTKOYDUJRRMAGE-UHFFFAOYSA-N 1 0 294.395 1.263 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1OC ZINC000271101058 364922967 /nfs/dbraw/zinc/92/29/67/364922967.db2.gz PHRVXOHVZJDDKE-LLVKDONJSA-N 1 0 294.351 1.072 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272584318 365306754 /nfs/dbraw/zinc/30/67/54/365306754.db2.gz YQWHEKXWSYLHRK-GHMZBOCLSA-N 1 0 251.326 1.604 20 10 CDCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000273222649 365480235 /nfs/dbraw/zinc/48/02/35/365480235.db2.gz PQZWUIXZWFUGOU-NSHDSACASA-N 1 0 294.395 1.923 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000273441226 365496042 /nfs/dbraw/zinc/49/60/42/365496042.db2.gz YJKUEGZEVPUGLN-VHSXEESVSA-N 1 0 267.325 1.458 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(F)ccc1O ZINC000273467817 365499292 /nfs/dbraw/zinc/49/92/92/365499292.db2.gz JEQJOVQUUZZACC-ZUZCIYMTSA-N 1 0 283.343 1.969 20 10 CDCDRO Cc1cccc(C[N@H+]2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000284291088 368509747 /nfs/dbraw/zinc/50/97/47/368509747.db2.gz IBTIXNSQSSRBEB-ZIAGYGMSSA-N 1 0 278.396 1.588 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000368814088 369601539 /nfs/dbraw/zinc/60/15/39/369601539.db2.gz OFHZEFXXHGBEJC-INIZCTEOSA-N 1 0 275.396 1.269 20 10 CDCDRO C[S@@](=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296573558 371442810 /nfs/dbraw/zinc/44/28/10/371442810.db2.gz VHCWIHLQSHVPQJ-BBATYDOGSA-N 1 0 265.378 1.880 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000272395332 413044088 /nfs/dbraw/zinc/04/40/88/413044088.db2.gz JLJZEZZRZCNSGJ-CYBMUJFWSA-N 1 0 268.332 1.342 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1O ZINC000122654740 390904903 /nfs/dbraw/zinc/90/49/03/390904903.db2.gz UPKPHKKTZWWONP-ZDUSSCGKSA-N 1 0 292.379 1.844 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCCN1CCC(O)CC1)CC2 ZINC000295939446 285396888 /nfs/dbraw/zinc/39/68/88/285396888.db2.gz KVNHNMRMZMNGOT-HNNXBMFYSA-N 1 0 290.407 1.816 20 10 CDCDRO COc1cccc(CNC(=O)NC2CC[NH+](C)CC2)c1O ZINC000173389952 391107155 /nfs/dbraw/zinc/10/71/55/391107155.db2.gz QLTLCYRRPCMCCC-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO Cc1nccn1CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000263650317 391125396 /nfs/dbraw/zinc/12/53/96/391125396.db2.gz DAJXKDOOUHPNSZ-UHFFFAOYSA-N 1 0 289.335 1.806 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047517 174058152 /nfs/dbraw/zinc/05/81/52/174058152.db2.gz PQVWQIZQXYMHPU-NSHDSACASA-N 1 0 271.382 1.786 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000038082857 174091780 /nfs/dbraw/zinc/09/17/80/174091780.db2.gz QADMBKSMOCYTPS-AAEUAGOBSA-N 1 0 283.393 1.868 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH+](C)CC2)cc1F ZINC000154398531 261091145 /nfs/dbraw/zinc/09/11/45/261091145.db2.gz BRKHAFAFYFDASR-UHFFFAOYSA-N 1 0 251.349 1.639 20 10 CDCDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(F)ccc1O ZINC000186150054 262081730 /nfs/dbraw/zinc/08/17/30/262081730.db2.gz UUPXBBLPOMMHQH-LLVKDONJSA-N 1 0 283.343 1.971 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000193588526 262224270 /nfs/dbraw/zinc/22/42/70/262224270.db2.gz DRIVEPKQWPJAID-RISCZKNCSA-N 1 0 261.369 1.367 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000368132106 267146475 /nfs/dbraw/zinc/14/64/75/267146475.db2.gz DNVYQNSYRQCYDT-SNVBAGLBSA-N 1 0 264.325 1.098 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)N1CCCC1 ZINC000281234762 278266469 /nfs/dbraw/zinc/26/64/69/278266469.db2.gz DZKBCTRZVATOFG-LBPRGKRZSA-N 1 0 293.386 1.992 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282367961 278561238 /nfs/dbraw/zinc/56/12/38/278561238.db2.gz NTLPUNJJVZYBBW-QMTHXVAHSA-N 1 0 279.359 1.506 20 10 CDCDRO [NH3+][C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000083415557 1173452828 /nfs/dbraw/zinc/45/28/28/1173452828.db2.gz GKNVTEBTKWQDGF-AWEZNQCLSA-N 1 0 256.305 1.708 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@]2(O)CCOC2)ccc1OC ZINC000179017893 327797866 /nfs/dbraw/zinc/79/78/66/327797866.db2.gz IYZODBQFDOXSKF-MRXNPFEDSA-N 1 0 295.379 1.473 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CC13CC(C1)CO3)OCO2 ZINC000527790723 330283557 /nfs/dbraw/zinc/28/35/57/330283557.db2.gz UFYZXLASFJPPAD-UHFFFAOYSA-N 1 0 263.293 1.390 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000841956093 1160689172 /nfs/dbraw/zinc/68/91/72/1160689172.db2.gz VDLKBEZBRYSMGS-AWEZNQCLSA-N 1 0 276.384 1.334 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@@H](COC)OC)c(O)c1 ZINC000272709215 520366883 /nfs/dbraw/zinc/36/68/83/520366883.db2.gz UXDHCSMPGZSCEO-AWEZNQCLSA-N 1 0 283.368 1.932 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c1O ZINC000228357051 1161399392 /nfs/dbraw/zinc/39/93/92/1161399392.db2.gz LUFOLAQLIDFCAJ-LBPRGKRZSA-N 1 0 264.325 1.111 20 10 CDCDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094616856 519500148 /nfs/dbraw/zinc/50/01/48/519500148.db2.gz FXBJJWKVROINSO-SNVBAGLBSA-N 1 0 268.332 1.954 20 10 CDCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825917 520919532 /nfs/dbraw/zinc/91/95/32/520919532.db2.gz VEDMWTIRZKAMSI-OAHLLOKOSA-N 1 0 263.385 1.886 20 10 CDCDRO CCOc1cccc(C[NH2+]CCCc2cnn(C)n2)c1O ZINC000293127606 521361888 /nfs/dbraw/zinc/36/18/88/521361888.db2.gz ZOCWZCITCBQMEE-UHFFFAOYSA-N 1 0 290.367 1.642 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000280346589 521365189 /nfs/dbraw/zinc/36/51/89/521365189.db2.gz RXVZSJPUMVPPRC-UONOGXRCSA-N 1 0 295.379 1.526 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000290113689 522210480 /nfs/dbraw/zinc/21/04/80/522210480.db2.gz LIIXWMQVRCHTKR-CQSZACIVSA-N 1 0 296.436 1.667 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000211400524 522475120 /nfs/dbraw/zinc/47/51/20/522475120.db2.gz XPPZYGRDRRWSEA-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO CC[C@H]([NH2+]CCS(=O)(=O)NC)c1ccc(C)cc1O ZINC000280082929 522597227 /nfs/dbraw/zinc/59/72/27/522597227.db2.gz LVPFZEKWQOPVTB-LBPRGKRZSA-N 1 0 286.397 1.291 20 10 CDCDRO CC[C@]1(C(=O)NCCc2ccc(N)cc2)CCC[NH2+]1 ZINC000134367996 523538781 /nfs/dbraw/zinc/53/87/81/523538781.db2.gz DWBALXSKIHKORZ-OAHLLOKOSA-N 1 0 261.369 1.460 20 10 CDCDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1C ZINC000279638013 524069649 /nfs/dbraw/zinc/06/96/49/524069649.db2.gz IWXKDOHRXUICSI-UHFFFAOYSA-N 1 0 283.393 1.670 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000299161408 524075432 /nfs/dbraw/zinc/07/54/32/524075432.db2.gz LCDBOPNQRVHQBZ-CYBMUJFWSA-N 1 0 291.395 1.137 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1C ZINC000364903458 525316808 /nfs/dbraw/zinc/31/68/08/525316808.db2.gz OEEAAJGMNGLJGP-UHFFFAOYSA-N 1 0 298.408 1.262 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(F)ccc1O ZINC000280936821 525409885 /nfs/dbraw/zinc/40/98/85/525409885.db2.gz SEMPMPIHPCGCCC-SSDOTTSWSA-N 1 0 276.258 1.563 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCC[C@@H]1O)OCO2 ZINC000085979129 526337311 /nfs/dbraw/zinc/33/73/11/526337311.db2.gz FHOCKKQRHRUWJZ-PWSUYJOCSA-N 1 0 279.336 1.762 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[C@H]1O)OCO2 ZINC000085979132 526337319 /nfs/dbraw/zinc/33/73/19/526337319.db2.gz FHOCKKQRHRUWJZ-CMPLNLGQSA-N 1 0 279.336 1.762 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000262627437 527233008 /nfs/dbraw/zinc/23/30/08/527233008.db2.gz MENCRLWJAMNRGP-TZMCWYRMSA-N 1 0 261.369 1.445 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CC(=O)N2CCCC2)cc1 ZINC000726981141 574531389 /nfs/dbraw/zinc/53/13/89/574531389.db2.gz OPLPWBVNZDGSKB-UHFFFAOYSA-N 1 0 275.396 1.807 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COCCO2)cc1F ZINC000733324928 575114470 /nfs/dbraw/zinc/11/44/70/575114470.db2.gz LNNMWMDDONBQCV-GFCCVEGCSA-N 1 0 268.332 1.397 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000734468149 575349920 /nfs/dbraw/zinc/34/99/20/575349920.db2.gz NZAHOVNFPQBMCY-AWEZNQCLSA-N 1 0 275.396 1.629 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCOC[C@H](C)C1 ZINC000769455001 575369614 /nfs/dbraw/zinc/36/96/14/575369614.db2.gz DDVAIASVZVRHIM-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000771812364 575616932 /nfs/dbraw/zinc/61/69/32/575616932.db2.gz HPGGZNUOJPYQEE-ZDUSSCGKSA-N 1 0 267.300 1.594 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c(O)c1 ZINC000765795037 576056849 /nfs/dbraw/zinc/05/68/49/576056849.db2.gz GVSRTPXKVMCVAZ-UONOGXRCSA-N 1 0 292.379 1.795 20 10 CDCDRO CCCC[N@H+](CCO)Cc1c(O)cccc1OC ZINC000768140357 576260414 /nfs/dbraw/zinc/26/04/14/576260414.db2.gz NZLQUTBZWVJRFM-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO COCC[NH+](CCOC)Cc1c(O)cccc1OC ZINC000768143289 576260883 /nfs/dbraw/zinc/26/08/83/576260883.db2.gz QODPXFMSARKXBA-UHFFFAOYSA-N 1 0 269.341 1.496 20 10 CDCDRO CCOc1ccc(C[N@H+](CC(N)=O)C(C)C)c(O)c1 ZINC000768179590 576262736 /nfs/dbraw/zinc/26/27/36/576262736.db2.gz GUDRUTWTXICUKY-UHFFFAOYSA-N 1 0 266.341 1.487 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCSC1 ZINC000768466317 576287856 /nfs/dbraw/zinc/28/78/56/576287856.db2.gz YSXVPUUAGYEUKC-GWCFXTLKSA-N 1 0 281.377 1.755 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000769205220 576337368 /nfs/dbraw/zinc/33/73/68/576337368.db2.gz FOFYSYTUKAGDHA-ZDUSSCGKSA-N 1 0 290.363 1.598 20 10 CDCDRO CCC(=O)N1CCC([NH2+]Cc2ccc(OC)cc2O)CC1 ZINC000742218375 576589653 /nfs/dbraw/zinc/58/96/53/576589653.db2.gz GLGXTBTVVUFWKU-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000742375018 576598638 /nfs/dbraw/zinc/59/86/38/576598638.db2.gz KUHPGLPMUBVXQN-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCN(C)C2)c2c1c(F)ccc2O ZINC000762787600 576672190 /nfs/dbraw/zinc/67/21/90/576672190.db2.gz MXKLMPVKGIOCSM-NSODJVPESA-N 1 0 294.370 1.736 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC[C@H](C)O)cc1OC ZINC000763375815 576733521 /nfs/dbraw/zinc/73/35/21/576733521.db2.gz WAWJJAKNZNLDBR-VIFPVBQESA-N 1 0 255.314 1.270 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CC(N)=O)C2CCCC2)cc1 ZINC000746153096 576757666 /nfs/dbraw/zinc/75/76/66/576757666.db2.gz QAZPEWYURLUFLI-UHFFFAOYSA-N 1 0 275.396 1.983 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000754722022 576912193 /nfs/dbraw/zinc/91/21/93/576912193.db2.gz AKBWWFIFLHTODL-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO C[NH+](C)[C@]1(CNC(=O)C2=CC(=O)CS2)CCSC1 ZINC000748432620 576912370 /nfs/dbraw/zinc/91/23/70/576912370.db2.gz BIZMWAKZMOURIS-LBPRGKRZSA-N 1 0 286.422 1.621 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000759171822 577156794 /nfs/dbraw/zinc/15/67/94/577156794.db2.gz ASDCTSZDTGGGAE-HOCLYGCPSA-N 1 0 277.364 1.905 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000759173064 577157006 /nfs/dbraw/zinc/15/70/06/577157006.db2.gz MJKSDYNRISMDPS-JSGCOSHPSA-N 1 0 281.352 1.684 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](CO)SC)c1O ZINC000152437089 617429870 /nfs/dbraw/zinc/42/98/70/617429870.db2.gz ALSVUEXSBVMSPG-JOYOIKCWSA-N 1 0 271.382 1.603 20 10 CDCDRO C[C@@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccccc1O ZINC000892146191 617506630 /nfs/dbraw/zinc/50/66/30/617506630.db2.gz NTFIZIKSOMHCAX-IVZWLZJFSA-N 1 0 251.330 1.488 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891651402 617522637 /nfs/dbraw/zinc/52/26/37/617522637.db2.gz QLBPPIZOEAACEM-NSHDSACASA-N 1 0 295.335 1.404 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000840940599 617640945 /nfs/dbraw/zinc/64/09/45/617640945.db2.gz ADZUNDWIQIOHFL-HZPDHXFCSA-N 1 0 292.423 1.796 20 10 CDCDRO [NH2+]=C(NCc1cc(Cl)ccc1O)N1CCOCC1 ZINC000849048576 617782038 /nfs/dbraw/zinc/78/20/38/617782038.db2.gz JNDXWKJSYKAYGQ-UHFFFAOYSA-N 1 0 269.732 1.402 20 10 CDCDRO COc1ccc(C[NH2+]C2CCC(O)CC2)c(O)c1OC ZINC000893686860 617840709 /nfs/dbraw/zinc/84/07/09/617840709.db2.gz LBCPSQUEKHKXCV-UHFFFAOYSA-N 1 0 281.352 1.803 20 10 CDCDRO COc1cc(C)cc(C[N@H+](CCO)C2CC2)c1O ZINC000893943985 618209384 /nfs/dbraw/zinc/20/93/84/618209384.db2.gz JPODIHGSYUGANU-UHFFFAOYSA-N 1 0 251.326 1.666 20 10 CDCDRO COc1cc(C)cc(CN2CC[NH+](C[C@H](C)O)CC2)c1O ZINC000894001141 618242262 /nfs/dbraw/zinc/24/22/62/618242262.db2.gz JGAZYLVWRXHNQS-ZDUSSCGKSA-N 1 0 294.395 1.208 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CCN2CCCC2=O)c1O ZINC000894017933 618244112 /nfs/dbraw/zinc/24/41/12/618244112.db2.gz SZNKAGSDFCJDSD-UHFFFAOYSA-N 1 0 292.379 1.763 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)CSC)c1O ZINC000894288006 618491631 /nfs/dbraw/zinc/49/16/31/618491631.db2.gz NQMXCRHPVCUTNP-AWEZNQCLSA-N 1 0 285.409 1.913 20 10 CDCDRO COC(=O)C(C)(C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894141855 618620327 /nfs/dbraw/zinc/62/03/27/618620327.db2.gz WJLITDXTILCAKA-UHFFFAOYSA-N 1 0 281.352 1.998 20 10 CDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841041437 618677216 /nfs/dbraw/zinc/67/72/16/618677216.db2.gz CCMIAXVSMWXKMX-LLVKDONJSA-N 1 0 292.383 1.054 20 10 CDCDRO COc1c(O)c(CN[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841042208 618677831 /nfs/dbraw/zinc/67/78/31/618677831.db2.gz FSKITAZESGBFOF-JTQLQIEISA-N 1 0 281.312 1.151 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)C(C)(C)C)c1O ZINC000894244189 618748457 /nfs/dbraw/zinc/74/84/57/618748457.db2.gz DTHAJLQIMLQYCU-UHFFFAOYSA-N 1 0 294.395 1.961 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1O ZINC000894345977 618804794 /nfs/dbraw/zinc/80/47/94/618804794.db2.gz NYLHMGAQLDOSGS-SWLSCSKDSA-N 1 0 294.395 1.518 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CCC(CO)(OC)CC2)c1O ZINC000894578515 618964558 /nfs/dbraw/zinc/96/45/58/618964558.db2.gz MWDOSFCMYOMVIJ-UHFFFAOYSA-N 1 0 295.379 1.683 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H](O)C2CC2)c1O ZINC000894776522 619045826 /nfs/dbraw/zinc/04/58/26/619045826.db2.gz HAMMPNHCSNJVLK-CYBMUJFWSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1O ZINC000894993870 619182406 /nfs/dbraw/zinc/18/24/06/619182406.db2.gz KYCUYIOFTVGFPK-OCCSQVGLSA-N 1 0 295.379 1.586 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1O ZINC000895326100 619564524 /nfs/dbraw/zinc/56/45/24/619564524.db2.gz ZNBZJXNHNKRIPF-GFCCVEGCSA-N 1 0 298.770 1.668 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)N(C)OC)c1O ZINC000895413539 619647823 /nfs/dbraw/zinc/64/78/23/619647823.db2.gz GCMRSWDTHZCAPW-JTQLQIEISA-N 1 0 282.340 1.207 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1 ZINC000895746117 619821518 /nfs/dbraw/zinc/82/15/18/619821518.db2.gz BVZJCGYFPXSJPB-TZMCWYRMSA-N 1 0 281.352 1.420 20 10 CDCDRO COCC1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895971959 619929861 /nfs/dbraw/zinc/92/98/61/619929861.db2.gz YYZKKHATJAFIQA-UHFFFAOYSA-N 1 0 294.370 1.741 20 10 CDCDRO Cc1ccc(C[NH2+]CCO[C@H]2CCOC2)c(O)c1 ZINC000897199507 620412741 /nfs/dbraw/zinc/41/27/41/620412741.db2.gz HURGKBYYTZPBKS-ZDUSSCGKSA-N 1 0 251.326 1.596 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000897684232 621072634 /nfs/dbraw/zinc/07/26/34/621072634.db2.gz LKFJZRRRAGGMSV-YGRLFVJLSA-N 1 0 252.333 1.704 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@@H]1C ZINC000787422032 621557072 /nfs/dbraw/zinc/55/70/72/621557072.db2.gz XSOPCUOZIJXTHP-SKDRFNHKSA-N 1 0 267.300 1.915 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3OCCO3)C1)OCO2 ZINC000905694217 626941078 /nfs/dbraw/zinc/94/10/78/626941078.db2.gz FJVMGHDARPEMMJ-SNVBAGLBSA-N 1 0 293.319 1.316 20 10 CDCDRO Cc1cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)ccc1N(C)C ZINC000925433748 632146624 /nfs/dbraw/zinc/14/66/24/632146624.db2.gz FYIUWTHVUPOZNO-CQSZACIVSA-N 1 0 275.396 1.675 20 10 CDCDRO COc1c(O)c(CN2C[C@H]3CC[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001579136819 1172103866 /nfs/dbraw/zinc/10/38/66/1172103866.db2.gz UOIJNWQDSZENOV-BXKDBHETSA-N 1 0 293.323 1.103 20 10 CDCDRO Cc1ccc(C(=O)NCc2ccc(C[NH3+])cc2)c(O)c1O ZINC001579663952 1172237199 /nfs/dbraw/zinc/23/71/99/1172237199.db2.gz RIFRKHURYSTZDP-UHFFFAOYSA-N 1 0 286.331 1.795 20 10 CDCDRO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000245872064 1180785850 /nfs/dbraw/zinc/78/58/50/1180785850.db2.gz GZLLNDCGGIFQNB-ZDUSSCGKSA-N 1 0 262.353 1.681 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(O)CCOC1 ZINC000300419460 1186370851 /nfs/dbraw/zinc/37/08/51/1186370851.db2.gz WZHLHSKQORVMIY-BFQNTYOBSA-N 1 0 277.364 1.990 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c1O ZINC000814173831 1164054376 /nfs/dbraw/zinc/05/43/76/1164054376.db2.gz QVTDBHAOVMZZAB-WCQYABFASA-N 1 0 262.353 1.537 20 10 CDCDRO OCCCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000076275575 711885281 /nfs/dbraw/zinc/88/52/81/711885281.db2.gz FZPFGBWUGLDITH-UHFFFAOYSA-N 1 0 292.423 1.900 20 10 CDCDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(N)cc1 ZINC000054108838 711885621 /nfs/dbraw/zinc/88/56/21/711885621.db2.gz NCQAUECFDLBABJ-UHFFFAOYSA-N 1 0 250.346 1.731 20 10 CDCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000788269003 711888579 /nfs/dbraw/zinc/88/85/79/711888579.db2.gz JZQBNJSQLOMDLY-WPRPVWTQSA-N 1 0 251.282 1.076 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000846108005 711892225 /nfs/dbraw/zinc/89/22/25/711892225.db2.gz APOWANXAJWWWQQ-OAHLLOKOSA-N 1 0 265.353 1.722 20 10 CDCDRO CCOCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832300424 711897225 /nfs/dbraw/zinc/89/72/25/711897225.db2.gz VNPNWTVSAIBTBG-HNNXBMFYSA-N 1 0 293.411 1.685 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841653167 711925148 /nfs/dbraw/zinc/92/51/48/711925148.db2.gz HNCQSSJXNKWDLD-NSHDSACASA-N 1 0 264.373 1.289 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H]1OC ZINC000775979203 711927768 /nfs/dbraw/zinc/92/77/68/711927768.db2.gz RTYKAEIRLFOYFN-IMJJTQAJSA-N 1 0 277.364 1.904 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)c2ccco2)cc1OC ZINC000775918502 711928468 /nfs/dbraw/zinc/92/84/68/711928468.db2.gz RIHQPELMYUYVSU-GFCCVEGCSA-N 1 0 293.319 1.826 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000852495198 711941227 /nfs/dbraw/zinc/94/12/27/711941227.db2.gz KFOAVXCATLQKMQ-ZBFHGGJFSA-N 1 0 287.407 1.853 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)CC(F)F)c1 ZINC000717769591 711942123 /nfs/dbraw/zinc/94/21/23/711942123.db2.gz UKSCOEGWEKWNLF-VIFPVBQESA-N 1 0 261.268 1.507 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(F)ccc1O ZINC000840826348 711956368 /nfs/dbraw/zinc/95/63/68/711956368.db2.gz UMUFMVKPVPWGIM-UWVGGRQHSA-N 1 0 266.316 1.708 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)[C@H]3CC[NH2+]3)CC2)cc1 ZINC000827458761 711982132 /nfs/dbraw/zinc/98/21/32/711982132.db2.gz LWPCEUMDKNWFNJ-OAHLLOKOSA-N 1 0 289.379 1.096 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000829764740 711989358 /nfs/dbraw/zinc/98/93/58/711989358.db2.gz VUWYXIMYVPBQIL-IUODEOHRSA-N 1 0 275.396 1.675 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(O)c1 ZINC000877626638 711990018 /nfs/dbraw/zinc/99/00/18/711990018.db2.gz XPUVVHXDODGTMS-CYBMUJFWSA-N 1 0 276.336 1.727 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000787450432 712012413 /nfs/dbraw/zinc/01/24/13/712012413.db2.gz RRDOCHOQBFECIC-CQSZACIVSA-N 1 0 290.363 1.644 20 10 CDCDRO CNC(=O)CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858114842 712055443 /nfs/dbraw/zinc/05/54/43/712055443.db2.gz VQDPHEJPBHSDIK-UHFFFAOYSA-N 1 0 285.338 1.647 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c(O)c1 ZINC000858549690 712059731 /nfs/dbraw/zinc/05/97/31/712059731.db2.gz ZBQVFSRYWWYXPX-QWHCGFSZSA-N 1 0 264.369 1.418 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000851680597 712061938 /nfs/dbraw/zinc/06/19/38/712061938.db2.gz IQKIXNTZLVBUNH-JTQLQIEISA-N 1 0 251.330 1.142 20 10 CDCDRO COCCNCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000817964979 712062731 /nfs/dbraw/zinc/06/27/31/712062731.db2.gz LVLNCPSRCCGVHG-GFCCVEGCSA-N 1 0 252.358 1.587 20 10 CDCDRO C[C@H](NC[C@H](O)C[NH+](C)C)c1c(O)cccc1F ZINC000886524336 712070941 /nfs/dbraw/zinc/07/09/41/712070941.db2.gz ISLXPONXEYVKGQ-UWVGGRQHSA-N 1 0 256.321 1.104 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1C ZINC000848565251 712084074 /nfs/dbraw/zinc/08/40/74/712084074.db2.gz GRBKZWYRCHZXGT-ZDUSSCGKSA-N 1 0 286.379 1.785 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000858283944 712086120 /nfs/dbraw/zinc/08/61/20/712086120.db2.gz AGQGOKQLUOHZLO-TZMCWYRMSA-N 1 0 291.395 1.983 20 10 CDCDRO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[NH3+])cc1 ZINC000076822611 712112369 /nfs/dbraw/zinc/11/23/69/712112369.db2.gz KMSMTFBEFHCDPH-HNNXBMFYSA-N 1 0 291.395 1.219 20 10 CDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000777219958 712132891 /nfs/dbraw/zinc/13/28/91/712132891.db2.gz OKQSCXRECSWQDR-DZGCQCFKSA-N 1 0 299.342 1.441 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000817965447 712219387 /nfs/dbraw/zinc/21/93/87/712219387.db2.gz VAKOEXRRQACCOL-JTQLQIEISA-N 1 0 278.352 1.711 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000840974874 712230399 /nfs/dbraw/zinc/23/03/99/712230399.db2.gz PIVWJFSSQRWJQW-UHFFFAOYSA-N 1 0 277.368 1.594 20 10 CDCDRO CCN(CC)c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841077169 712237974 /nfs/dbraw/zinc/23/79/74/712237974.db2.gz CFPMYWQCUAZMKN-ZSHCYNCHSA-N 1 0 259.397 1.840 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597488 712265349 /nfs/dbraw/zinc/26/53/49/712265349.db2.gz LCILPDRKDXUELI-LLVKDONJSA-N 1 0 276.380 1.743 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136861 712271317 /nfs/dbraw/zinc/27/13/17/712271317.db2.gz AZKZYSMPCGFCFY-GFCCVEGCSA-N 1 0 280.393 1.446 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1c(C)cccc1O ZINC000877591600 712291932 /nfs/dbraw/zinc/29/19/32/712291932.db2.gz GUAVRXNOMJYWOZ-UHFFFAOYSA-N 1 0 271.382 1.615 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000230987755 712307213 /nfs/dbraw/zinc/30/72/13/712307213.db2.gz WUMXFULHCGLXOY-NSHDSACASA-N 1 0 286.397 1.243 20 10 CDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000866421215 712332373 /nfs/dbraw/zinc/33/23/73/712332373.db2.gz XQWMCYULRDQGQX-AXTRIDKLSA-N 1 0 271.744 1.764 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)c1 ZINC000809972077 712339083 /nfs/dbraw/zinc/33/90/83/712339083.db2.gz QHFBJHVEBPQARM-DGCLKSJQSA-N 1 0 294.395 1.507 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000841656229 712348802 /nfs/dbraw/zinc/34/88/02/712348802.db2.gz XMEUAWSNMOVTMI-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO C[C@@H]([NH3+])CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356123 712357063 /nfs/dbraw/zinc/35/70/63/712357063.db2.gz GEEJTWITIMSWMS-OCCSQVGLSA-N 1 0 264.369 1.720 20 10 CDCDRO CC(C)C[C@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227442319 712384145 /nfs/dbraw/zinc/38/41/45/712384145.db2.gz MEMDFSAQBNBOMK-NSHDSACASA-N 1 0 267.325 1.618 20 10 CDCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC[C@@H]1CCCO1 ZINC000879649790 712385793 /nfs/dbraw/zinc/38/57/93/712385793.db2.gz USTVUZOWVOLHDV-UPJWGTAASA-N 1 0 292.379 1.727 20 10 CDCDRO CCN(CC[NH3+])Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863644628 712396533 /nfs/dbraw/zinc/39/65/33/712396533.db2.gz CRPFJDCDYAZGRA-UHFFFAOYSA-N 1 0 281.375 1.443 20 10 CDCDRO OCCCN1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000824559636 712400617 /nfs/dbraw/zinc/40/06/17/712400617.db2.gz XGJUZHBRNCFLIF-CQSZACIVSA-N 1 0 264.369 1.329 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000846168805 712407510 /nfs/dbraw/zinc/40/75/10/712407510.db2.gz LWDOOPQBNILJMP-OUAUKWLOSA-N 1 0 278.352 1.705 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cc(OC)c(OC)cc1O ZINC000814177906 712413490 /nfs/dbraw/zinc/41/34/90/712413490.db2.gz UGMXJOIYNPRPAN-UHFFFAOYSA-N 1 0 282.340 1.107 20 10 CDCDRO c1cc2c(cc1C[NH2+]C[C@@H]1COCCN1)CCCO2 ZINC000258874748 712417759 /nfs/dbraw/zinc/41/77/59/712417759.db2.gz IGLQVUNQMCKWPB-CQSZACIVSA-N 1 0 262.353 1.090 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130808284 712423482 /nfs/dbraw/zinc/42/34/82/712423482.db2.gz FNQKHTKEDZEZRP-ZDUSSCGKSA-N 1 0 275.396 1.677 20 10 CDCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000701668423 712433110 /nfs/dbraw/zinc/43/31/10/712433110.db2.gz IVBDLDFBYGVLNO-SECBINFHSA-N 1 0 270.304 1.880 20 10 CDCDRO C[C@@H](NC(=O)NCc1ccccc1O)C1=CC[N@H+](C)CC1 ZINC000781370301 712438295 /nfs/dbraw/zinc/43/82/95/712438295.db2.gz IJKBJPAKJIUBMS-GFCCVEGCSA-N 1 0 289.379 1.842 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)cc1OC ZINC000827700632 712445153 /nfs/dbraw/zinc/44/51/53/712445153.db2.gz WAQAESVXLMTRCN-ZBEGNZNMSA-N 1 0 295.379 1.860 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000778923712 712447885 /nfs/dbraw/zinc/44/78/85/712447885.db2.gz QVGWIVVNSHOADZ-LLVKDONJSA-N 1 0 264.325 1.198 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Cl)ccc1O ZINC000866497291 712450807 /nfs/dbraw/zinc/45/08/07/712450807.db2.gz DQVVIQGYJBESTK-XTWCZFFVSA-N 1 0 271.744 1.846 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(F)ccc1O ZINC000226584761 712458834 /nfs/dbraw/zinc/45/88/34/712458834.db2.gz MMTWAWQXIMSIRF-NSHDSACASA-N 1 0 268.332 1.342 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CCN(C)OC)CC2)cc1 ZINC000850480483 712466534 /nfs/dbraw/zinc/46/65/34/712466534.db2.gz RUNBDVPVPNTWSR-UHFFFAOYSA-N 1 0 293.411 1.747 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCO1 ZINC000876516825 712472994 /nfs/dbraw/zinc/47/29/94/712472994.db2.gz WBHMBYQBTCHGRY-LLVKDONJSA-N 1 0 286.322 1.433 20 10 CDCDRO CC[C@H](C(=O)NCc1cc(C)ccc1O)[NH+](C)C ZINC000862758425 712504236 /nfs/dbraw/zinc/50/42/36/712504236.db2.gz YSJMIJQJOSOYHX-GFCCVEGCSA-N 1 0 250.342 1.657 20 10 CDCDRO COc1ccc(CNC(=[NH2+])Nc2ccccn2)c(O)c1 ZINC000849094601 712510136 /nfs/dbraw/zinc/51/01/36/712510136.db2.gz CSSSZKGUIRISJU-UHFFFAOYSA-N 1 0 272.308 1.932 20 10 CDCDRO CNS(=O)(=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816586492 712513132 /nfs/dbraw/zinc/51/31/32/712513132.db2.gz JMXRDHKYQVYPQS-UHFFFAOYSA-N 1 0 294.376 1.184 20 10 CDCDRO Cc1cc(C)c(O)c(CN(C)Cc2nncn2C)c1 ZINC000808215326 712677178 /nfs/dbraw/zinc/67/71/78/712677178.db2.gz OOGKZPSONXREBX-UHFFFAOYSA-N 1 0 260.341 1.770 20 10 CDCDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876746793 712698483 /nfs/dbraw/zinc/69/84/83/712698483.db2.gz XGBPQTXCWHKHCG-CQSZACIVSA-N 1 0 292.423 1.850 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000020097101 712701644 /nfs/dbraw/zinc/70/16/44/712701644.db2.gz XCXWRGZXJOXVTH-UHFFFAOYSA-N 1 0 291.439 1.953 20 10 CDCDRO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000846843441 712712224 /nfs/dbraw/zinc/71/22/24/712712224.db2.gz CMWMBOHDCOTSCW-NWDGAFQWSA-N 1 0 282.384 1.364 20 10 CDCDRO COc1ccc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000112839495 712713857 /nfs/dbraw/zinc/71/38/57/712713857.db2.gz WLZQDQUSSSRVSI-HZPDHXFCSA-N 1 0 290.407 1.956 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@]2(C)CO)c1O ZINC000789557807 712724754 /nfs/dbraw/zinc/72/47/54/712724754.db2.gz NQWCICIACXGJBN-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO CCOCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109772283 712728309 /nfs/dbraw/zinc/72/83/09/712728309.db2.gz TYXUVNCFGBRQEJ-CYBMUJFWSA-N 1 0 294.395 1.755 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000876774888 712734977 /nfs/dbraw/zinc/73/49/77/712734977.db2.gz JNYWXPHKMJEJJP-UHFFFAOYSA-N 1 0 285.347 1.353 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1C ZINC000212583873 712759549 /nfs/dbraw/zinc/75/95/49/712759549.db2.gz JCZVUFFNEKIHTH-ZDUSSCGKSA-N 1 0 283.393 1.670 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000877497207 712767104 /nfs/dbraw/zinc/76/71/04/712767104.db2.gz JRWXITBAVIXSIZ-YPMHNXCESA-N 1 0 276.336 1.631 20 10 CDCDRO Cn1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1=O ZINC000843350138 712779505 /nfs/dbraw/zinc/77/95/05/712779505.db2.gz JZCMNQDGECUPDC-UHFFFAOYSA-N 1 0 283.375 1.797 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841744789 712791083 /nfs/dbraw/zinc/79/10/83/712791083.db2.gz SWMKECPHXHOSEB-CYBMUJFWSA-N 1 0 292.427 1.841 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](C)O)cc1Cn1cccn1 ZINC000873007187 1165502925 /nfs/dbraw/zinc/50/29/25/1165502925.db2.gz XSYPADLQBHASEL-LBPRGKRZSA-N 1 0 275.352 1.410 20 10 CDCDRO Cc1cccc(O)c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000876688701 1165895343 /nfs/dbraw/zinc/89/53/43/1165895343.db2.gz VYOASUSSSKUQLJ-NVXWUHKLSA-N 1 0 290.407 1.732 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000877056706 1165965864 /nfs/dbraw/zinc/96/58/64/1165965864.db2.gz NIJXITUCEXMFEU-LBPRGKRZSA-N 1 0 269.366 1.367 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(O)c1 ZINC000877628486 1166068008 /nfs/dbraw/zinc/06/80/08/1166068008.db2.gz IKZQDPSNUFPMKU-GXTWGEPZSA-N 1 0 274.364 1.801 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000174401772 912573458 /nfs/dbraw/zinc/57/34/58/912573458.db2.gz GRILUJUDZPNLAL-OAHLLOKOSA-N 1 0 267.369 1.886 20 10 CDCDRO Oc1cccc(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)c1O ZINC001173759893 912809501 /nfs/dbraw/zinc/80/95/01/912809501.db2.gz VJZVJCQLDFDOCC-NWDGAFQWSA-N 1 0 289.339 1.358 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1 ZINC001206222925 913028052 /nfs/dbraw/zinc/02/80/52/913028052.db2.gz RFTCIAIBBQUYKE-LBPRGKRZSA-N 1 0 290.285 1.866 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@H](O)C2)c1O ZINC001140178736 895201044 /nfs/dbraw/zinc/20/10/44/895201044.db2.gz VZFBFWLCHFOIIQ-LBPRGKRZSA-N 1 0 251.326 1.202 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CCC(NC(N)=O)CC2)c1O ZINC001140178619 895202306 /nfs/dbraw/zinc/20/23/06/895202306.db2.gz QTRYBORPEDMSIM-UHFFFAOYSA-N 1 0 277.368 1.642 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000090721813 895888181 /nfs/dbraw/zinc/88/81/81/895888181.db2.gz CXMFOMKAMQTACE-DGCLKSJQSA-N 1 0 264.369 1.973 20 10 CDCDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cccc(O)c1O ZINC000308698277 896348151 /nfs/dbraw/zinc/34/81/51/896348151.db2.gz OYAJJLRFVUZLBB-UHFFFAOYSA-N 1 0 278.352 1.702 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC001140742168 898157771 /nfs/dbraw/zinc/15/77/71/898157771.db2.gz JIHKAWJVUHBARK-LBPRGKRZSA-N 1 0 251.326 1.753 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001235673811 914278787 /nfs/dbraw/zinc/27/87/87/914278787.db2.gz ACYJMRKSHCSTOG-CQSZACIVSA-N 1 0 279.380 1.883 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000312305110 899724774 /nfs/dbraw/zinc/72/47/74/899724774.db2.gz XUDKSGZSNZBISL-OAHLLOKOSA-N 1 0 275.396 1.838 20 10 CDCDRO Oc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC001141160244 899833545 /nfs/dbraw/zinc/83/35/45/899833545.db2.gz URCPOIQFIGCPDB-ZDUSSCGKSA-N 1 0 262.353 1.768 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001236023367 914557527 /nfs/dbraw/zinc/55/75/27/914557527.db2.gz NYFKFSMSSUAKBP-UFBFGSQYSA-N 1 0 256.708 1.718 20 10 CDCDRO Cc1cc(NCCc2cc(O)c(O)cc2O)cc(C)[nH+]1 ZINC001168006241 905353972 /nfs/dbraw/zinc/35/39/72/905353972.db2.gz UZDDMGUKHIWRKT-UHFFFAOYSA-N 1 0 274.320 1.892 20 10 CDCDRO Cc1ccc(NCCc2cc(O)c(O)cc2O)[nH+]c1N ZINC001168006778 905364284 /nfs/dbraw/zinc/36/42/84/905364284.db2.gz SXYMPFKNNLWQQW-UHFFFAOYSA-N 1 0 275.308 1.744 20 10 CDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000126919561 905536598 /nfs/dbraw/zinc/53/65/98/905536598.db2.gz QASAFGSDUBTUJW-DOMZBBRYSA-N 1 0 275.396 1.757 20 10 CDCDRO [NH3+]Cc1cccc(NCCc2cc(O)c(O)cc2O)n1 ZINC001168013412 905559020 /nfs/dbraw/zinc/55/90/20/905559020.db2.gz GAYJELKYRBHYQU-UHFFFAOYSA-N 1 0 275.308 1.312 20 10 CDCDRO C[C@@]1(C(=O)NCCCSc2nccs2)CC[NH2+]C1 ZINC000237495065 909207482 /nfs/dbraw/zinc/20/74/82/909207482.db2.gz XAFSKBPQRXFZTN-GFCCVEGCSA-N 1 0 285.438 1.741 20 10 CDCDRO CCN1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC1=O ZINC001172028366 911144725 /nfs/dbraw/zinc/14/47/25/911144725.db2.gz HWMNLMKQSMNGNT-LBPRGKRZSA-N 1 0 278.352 1.241 20 10 CDCDRO CCN1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC001172037086 911164626 /nfs/dbraw/zinc/16/46/26/911164626.db2.gz VOXHZRDKPWMXSY-AWEZNQCLSA-N 1 0 275.396 1.853 20 10 CDCDRO COc1cc(C)c(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1 ZINC001181373427 917024047 /nfs/dbraw/zinc/02/40/47/917024047.db2.gz OHJFDVZPWWNMBM-GASCZTMLSA-N 1 0 281.352 1.555 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000828993886 936398398 /nfs/dbraw/zinc/39/83/98/936398398.db2.gz UDBXNYCDXAUOJZ-OAHLLOKOSA-N 1 0 273.380 1.412 20 10 CDCDRO O=C([C@H]1CC[NH2+]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002862 936398665 /nfs/dbraw/zinc/39/86/65/936398665.db2.gz GDTRSTBTZPAMPX-UONOGXRCSA-N 1 0 290.363 1.262 20 10 CDCDRO C[NH+](C)CCN1CCN(Cc2c(O)cccc2F)CC1 ZINC001137831476 936416378 /nfs/dbraw/zinc/41/63/78/936416378.db2.gz AWUDCEBCYDNVOA-UHFFFAOYSA-N 1 0 281.375 1.211 20 10 CDCDRO CC(C)N1CC(NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182155446 917693848 /nfs/dbraw/zinc/69/38/48/917693848.db2.gz IMMJRWVKQPRNBD-UHFFFAOYSA-N 1 0 278.352 1.239 20 10 CDCDRO CC(=O)N1CC[N@H+](Cc2ccccc2O)C(C)(C)C1 ZINC000184725216 917696283 /nfs/dbraw/zinc/69/62/83/917696283.db2.gz PFNXRZXOLFJKRY-UHFFFAOYSA-N 1 0 262.353 1.835 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597552 936464680 /nfs/dbraw/zinc/46/46/80/936464680.db2.gz NYHGXUFHSWZTES-SNVBAGLBSA-N 1 0 262.353 1.625 20 10 CDCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC001138129694 936476128 /nfs/dbraw/zinc/47/61/28/936476128.db2.gz RNRHHUGDAXHCHU-PJXYFTJBSA-N 1 0 279.311 1.772 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831044777 936489055 /nfs/dbraw/zinc/48/90/55/936489055.db2.gz MKVMNCWPKLMUNB-INIZCTEOSA-N 1 0 290.411 1.612 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(O)(CO)CC2)cc1F ZINC000827147556 936494163 /nfs/dbraw/zinc/49/41/63/936494163.db2.gz SUBIPIYEHNNXGT-UHFFFAOYSA-N 1 0 282.359 1.211 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](C(N)=O)C3)ccc21 ZINC001138358605 936525790 /nfs/dbraw/zinc/52/57/90/936525790.db2.gz WAGUBWTUNLWMKV-CQSZACIVSA-N 1 0 273.380 1.376 20 10 CDCDRO COC[C@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267048 936570142 /nfs/dbraw/zinc/57/01/42/936570142.db2.gz LZCKKZHHSICTRF-DOMZBBRYSA-N 1 0 293.411 1.541 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cscn2)cc1 ZINC000832273521 936571267 /nfs/dbraw/zinc/57/12/67/936571267.db2.gz ONHMFQMYXJDWSN-GFCCVEGCSA-N 1 0 290.392 1.639 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cccc(OC)c1O ZINC000386332417 936630862 /nfs/dbraw/zinc/63/08/62/936630862.db2.gz MOFGMTWUFVCIBC-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO Cc1cc(C[NH+]2CC3(CN(C)C3)C2)ccc1N(C)C ZINC001139674238 936634765 /nfs/dbraw/zinc/63/47/65/936634765.db2.gz QMTBWXIVIOUDME-UHFFFAOYSA-N 1 0 259.397 1.808 20 10 CDCDRO CCCN1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000389283195 936646604 /nfs/dbraw/zinc/64/66/04/936646604.db2.gz VDJLWWWDNFKEFT-LBPRGKRZSA-N 1 0 278.352 1.695 20 10 CDCDRO CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC001140055568 936674473 /nfs/dbraw/zinc/67/44/73/936674473.db2.gz LHGKZVWVKZQAHQ-NHAGDIPZSA-N 1 0 292.354 1.734 20 10 CDCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(F)ccc3O)C[C@H]2C1 ZINC001140056023 936674645 /nfs/dbraw/zinc/67/46/45/936674645.db2.gz DXAQACOLOOCRCK-CHWSQXEVSA-N 1 0 264.344 1.915 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060468 936675665 /nfs/dbraw/zinc/67/56/65/936675665.db2.gz XIJJSFGPUNDEGQ-LBPRGKRZSA-N 1 0 281.331 1.425 20 10 CDCDRO O=C1NCC[C@]12CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140063162 936675731 /nfs/dbraw/zinc/67/57/31/936675731.db2.gz LUSVOVFQMRJQPJ-CQSZACIVSA-N 1 0 264.300 1.243 20 10 CDCDRO Cc1ccc(C)c(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c1O ZINC001140182060 936684781 /nfs/dbraw/zinc/68/47/81/936684781.db2.gz HJCUNNYEODZIJO-CYBMUJFWSA-N 1 0 274.364 1.816 20 10 CDCDRO OC1CCN(c2ccc(CN3CCC34COC4)cc2)CC1 ZINC001140286186 936697965 /nfs/dbraw/zinc/69/79/65/936697965.db2.gz ZFGRDRXEGPAJDS-UHFFFAOYSA-N 1 0 288.391 1.622 20 10 CDCDRO C[C@H](NCc1nnn(C)n1)c1ccc2ccccc2c1O ZINC000398099486 936709592 /nfs/dbraw/zinc/70/95/92/936709592.db2.gz HARNPRWHGPGJLK-JTQLQIEISA-N 1 0 283.335 1.920 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(F)ccc1O ZINC000834905868 936709720 /nfs/dbraw/zinc/70/97/20/936709720.db2.gz AASQQNDJEORLPV-ATZCPNFKSA-N 1 0 266.316 1.836 20 10 CDCDRO CC(C)[C@H](C(=O)NCc1ccccc1O)[C@@H](C)[NH3+] ZINC000399493196 936715015 /nfs/dbraw/zinc/71/50/15/936715015.db2.gz HJQRMHBVWILEEA-MFKMUULPSA-N 1 0 250.342 1.628 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1 ZINC001140622713 936732015 /nfs/dbraw/zinc/73/20/15/936732015.db2.gz DCXYXLVJIAWVKA-AAEUAGOBSA-N 1 0 260.337 1.269 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC001140742186 936748241 /nfs/dbraw/zinc/74/82/41/936748241.db2.gz JPOJELYPUQZQDE-BXKDBHETSA-N 1 0 251.326 1.609 20 10 CDCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140744127 936748759 /nfs/dbraw/zinc/74/87/59/936748759.db2.gz MUQGTYGORJVJLH-OAHLLOKOSA-N 1 0 279.336 1.934 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC001140744346 936749198 /nfs/dbraw/zinc/74/91/98/936749198.db2.gz UNHGRLXTZMSKSW-LBPRGKRZSA-N 1 0 291.269 1.905 20 10 CDCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2ccccc2O)C1 ZINC000701594179 922404986 /nfs/dbraw/zinc/40/49/86/922404986.db2.gz WRPAOJMBSDSONI-IUODEOHRSA-N 1 0 278.352 1.118 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000702614572 922577037 /nfs/dbraw/zinc/57/70/37/922577037.db2.gz MCVGNEAGIHSSIN-OAHLLOKOSA-N 1 0 264.369 1.111 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCCO1 ZINC001140954010 936783634 /nfs/dbraw/zinc/78/36/34/936783634.db2.gz IWGUPNYGWFMHJY-AWEZNQCLSA-N 1 0 279.336 1.465 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c(O)c1 ZINC001140952337 936783664 /nfs/dbraw/zinc/78/36/64/936783664.db2.gz NSZGAKIJOFOCNG-INIZCTEOSA-N 1 0 274.364 1.803 20 10 CDCDRO COC(=O)[C@H]1CCCN1Cc1cc(O)ccc1O ZINC001141156629 936821329 /nfs/dbraw/zinc/82/13/29/936821329.db2.gz OWULAKBEYRROCK-LLVKDONJSA-N 1 0 251.282 1.235 20 10 CDCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160444 936821973 /nfs/dbraw/zinc/82/19/73/936821973.db2.gz YQUQYYCWJDDLBX-HNNXBMFYSA-N 1 0 279.336 1.873 20 10 CDCDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141159471 936822060 /nfs/dbraw/zinc/82/20/60/936822060.db2.gz GWQZNRRWHUWDQK-CQSZACIVSA-N 1 0 292.379 1.979 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000710327869 923243196 /nfs/dbraw/zinc/24/31/96/923243196.db2.gz JUEINXCQRCMXFI-UHFFFAOYSA-N 1 0 291.800 1.960 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1O ZINC001141140198 936818658 /nfs/dbraw/zinc/81/86/58/936818658.db2.gz JAWHUCQELKMMRD-SMDDNHRTSA-N 1 0 262.353 1.328 20 10 CDCDRO Oc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC001141161208 936823306 /nfs/dbraw/zinc/82/33/06/936823306.db2.gz OVICZTVTUUEURI-IKARSPCKSA-N 1 0 261.321 1.707 20 10 CDCDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000711674949 923812529 /nfs/dbraw/zinc/81/25/29/923812529.db2.gz NVYDONITMMQPHF-KCJUWKMLSA-N 1 0 273.329 1.054 20 10 CDCDRO COc1cc(O)c(CN2CC[C@]3(CCC[NH2+]3)C2)cc1OC ZINC000841105276 936975877 /nfs/dbraw/zinc/97/58/77/936975877.db2.gz GPSNWCOECFMFHZ-MRXNPFEDSA-N 1 0 292.379 1.737 20 10 CDCDRO C[NH2+]CCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709883 937012243 /nfs/dbraw/zinc/01/22/43/937012243.db2.gz OAMTYTFDSCVFDE-UHFFFAOYSA-N 1 0 290.411 1.648 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000841857737 937018792 /nfs/dbraw/zinc/01/87/92/937018792.db2.gz WPDMOMRELNADAM-QGZVFWFLSA-N 1 0 295.386 1.984 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831948 937017093 /nfs/dbraw/zinc/01/70/93/937017093.db2.gz IDPUFMICODHIIM-ZDUSSCGKSA-N 1 0 288.395 1.457 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000841952009 937024611 /nfs/dbraw/zinc/02/46/11/937024611.db2.gz YVPNTYYMPQFUNG-ZFWWWQNUSA-N 1 0 290.411 1.628 20 10 CDCDRO CCN(Cc1ccccc1O)c1cc(C[NH3+])ncn1 ZINC001154890066 925985571 /nfs/dbraw/zinc/98/55/71/925985571.db2.gz PMJWFGASJHAMKO-UHFFFAOYSA-N 1 0 258.325 1.667 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH2+]CC2(C)C)c1 ZINC000843054359 937107688 /nfs/dbraw/zinc/10/76/88/937107688.db2.gz LYACVPNHPHVHLZ-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CC(C)[NH2+]CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000851627037 927590872 /nfs/dbraw/zinc/59/08/72/927590872.db2.gz GDRNWVKWCJCYNI-UHFFFAOYSA-N 1 0 267.348 1.506 20 10 CDCDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000852795584 927874343 /nfs/dbraw/zinc/87/43/43/927874343.db2.gz ISZHWRSAEBMXRC-CYBMUJFWSA-N 1 0 261.369 1.316 20 10 CDCDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(C)c(O)c1O ZINC000780932117 937207292 /nfs/dbraw/zinc/20/72/92/937207292.db2.gz RMQVTKASEXMDAY-UHFFFAOYSA-N 1 0 280.368 1.820 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@H+](C)C[C@H]2COCCO2)c1 ZINC000853558323 928044269 /nfs/dbraw/zinc/04/42/69/928044269.db2.gz HJEDFEMDHVXZGM-AWEZNQCLSA-N 1 0 265.353 1.856 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@](C)(O)CCOC)c1O ZINC000691449555 937217473 /nfs/dbraw/zinc/21/74/73/937217473.db2.gz UYNVDUVXPFESFA-HNNXBMFYSA-N 1 0 267.369 1.832 20 10 CDCDRO CCC[N@H+](CCS(=O)(=O)NC)Cc1ccccc1O ZINC000856727460 928618665 /nfs/dbraw/zinc/61/86/65/928618665.db2.gz NPIYINCNZVIXST-UHFFFAOYSA-N 1 0 286.397 1.153 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000858585851 928892356 /nfs/dbraw/zinc/89/23/56/928892356.db2.gz BSRZQIHKWSUBOV-VHSXEESVSA-N 1 0 252.314 1.451 20 10 CDCDRO CCc1cccc(C[NH2+]CCCC(=O)NC)c1O ZINC000691480365 928997659 /nfs/dbraw/zinc/99/76/59/928997659.db2.gz BUQLFRCTEQXUSA-UHFFFAOYSA-N 1 0 250.342 1.570 20 10 CDCDRO CCc1cccc(C[NH2+]CCC[S@@](C)=O)c1O ZINC000691520517 929123607 /nfs/dbraw/zinc/12/36/07/929123607.db2.gz DJXIUJVJEBVSMR-QGZVFWFLSA-N 1 0 255.383 1.813 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862441234 929416648 /nfs/dbraw/zinc/41/66/48/929416648.db2.gz PUMGYSCQSIXYDP-GASCZTMLSA-N 1 0 258.365 1.975 20 10 CDCDRO C[N@@H+]1CCN(C(=O)c2c(F)ccc(O)c2O)CCC1(C)C ZINC000881387600 929832150 /nfs/dbraw/zinc/83/21/50/929832150.db2.gz BDEUWLJPKJBZTH-UHFFFAOYSA-N 1 0 296.342 1.793 20 10 CDCDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccccc2O)C1 ZINC000816634314 930334371 /nfs/dbraw/zinc/33/43/71/930334371.db2.gz DQVVAMUTYDMFOT-ZDUSSCGKSA-N 1 0 267.300 1.725 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC000817280049 930465672 /nfs/dbraw/zinc/46/56/72/930465672.db2.gz XVMYVJGWCTYHHV-HNNXBMFYSA-N 1 0 278.396 1.724 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[NH2+]CC2(C)C)c1 ZINC000884310346 930518206 /nfs/dbraw/zinc/51/82/06/930518206.db2.gz VRAOENWPGFRPRX-GXFFZTMASA-N 1 0 292.379 1.824 20 10 CDCDRO C[C@@H](NCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817934632 930636562 /nfs/dbraw/zinc/63/65/62/930636562.db2.gz LXHXSOVEYFGQFP-LLVKDONJSA-N 1 0 267.348 1.272 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCO2)c(O)c1 ZINC000817983791 930658202 /nfs/dbraw/zinc/65/82/02/930658202.db2.gz QLJZZUACPGRDIP-RYUDHWBXSA-N 1 0 250.342 1.340 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)C[NH3+])C2)cc1 ZINC000818613592 930728744 /nfs/dbraw/zinc/72/87/44/930728744.db2.gz UMADWTCFPOJPLW-QWHCGFSZSA-N 1 0 291.395 1.233 20 10 CDCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819095341 930756998 /nfs/dbraw/zinc/75/69/98/930756998.db2.gz FHGILRSEQQONQE-OAHLLOKOSA-N 1 0 278.421 1.876 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1 ZINC000886670459 930934665 /nfs/dbraw/zinc/93/46/65/930934665.db2.gz PQJUZNTZMGSTCX-SCRDCRAPSA-N 1 0 295.379 1.981 20 10 CDCDRO CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1O ZINC000821392194 931043158 /nfs/dbraw/zinc/04/31/58/931043158.db2.gz VKAHNUVTFVRJLV-CQSZACIVSA-N 1 0 266.385 1.525 20 10 CDCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1O ZINC001116852133 937476006 /nfs/dbraw/zinc/47/60/06/937476006.db2.gz UBZRSNLIMRCQMA-VXGBXAGGSA-N 1 0 278.352 1.700 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1C ZINC000825279437 931498786 /nfs/dbraw/zinc/49/87/86/931498786.db2.gz QBCSRBOCMZULKJ-WCQYABFASA-N 1 0 262.353 1.753 20 10 CDCDRO CN1CC2(C1)CCC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112540 931665743 /nfs/dbraw/zinc/66/57/43/931665743.db2.gz JDWIBCLMHNGFGH-UHFFFAOYSA-N 1 0 278.352 1.331 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275267022 931718825 /nfs/dbraw/zinc/71/88/25/931718825.db2.gz IXNORHNVSMZAMW-HOTGVXAUSA-N 1 0 298.390 1.964 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCn3cccc3C2)c(O)c1 ZINC001144508909 931874031 /nfs/dbraw/zinc/87/40/31/931874031.db2.gz CYGSKKSMHDWQGV-UHFFFAOYSA-N 1 0 260.293 1.621 20 10 CDCDRO OC[C@H](CCF)[NH2+]Cc1cc(Br)ccc1O ZINC000846096324 931978936 /nfs/dbraw/zinc/97/89/36/931978936.db2.gz GKFMJKKQIBUARA-JTQLQIEISA-N 1 0 292.148 1.965 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2cc(OC)ccc2O)CC1=O ZINC000846097478 931980010 /nfs/dbraw/zinc/98/00/10/931980010.db2.gz PMJMOVIUQRSBJQ-LLVKDONJSA-N 1 0 278.352 1.359 20 10 CDCDRO CCN1C[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)CC1=O ZINC000846169770 931983515 /nfs/dbraw/zinc/98/35/15/931983515.db2.gz TWMYBRYFDHFCPL-WDEREUQCSA-N 1 0 278.352 1.672 20 10 CDCDRO CCCNC(=O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846139026 931985550 /nfs/dbraw/zinc/98/55/50/931985550.db2.gz ZVIYWVHVQIIGJJ-SNVBAGLBSA-N 1 0 266.341 1.578 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2(O)CCC2)c1O ZINC000846147796 931987244 /nfs/dbraw/zinc/98/72/44/931987244.db2.gz WKNHUQJYIDECRA-JTQLQIEISA-N 1 0 251.326 1.966 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C[NH3+])cc1 ZINC000846697332 932114181 /nfs/dbraw/zinc/11/41/81/932114181.db2.gz OBONDFAZCNTBNY-GFCCVEGCSA-N 1 0 279.384 1.185 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206656940 937657214 /nfs/dbraw/zinc/65/72/14/937657214.db2.gz NJYZZDJYMKUQJY-CYBMUJFWSA-N 1 0 269.339 1.921 20 10 CDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000831202853 933095690 /nfs/dbraw/zinc/09/56/90/933095690.db2.gz NIBCDIVNLNNFQN-WDEREUQCSA-N 1 0 265.357 1.659 20 10 CDCDRO C[C@@H](CC1CC1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258448622 934877055 /nfs/dbraw/zinc/87/70/55/934877055.db2.gz XBILMXRFYJDVDV-XPTSAGLGSA-N 1 0 251.326 1.909 20 10 CDCDRO C[C@@]1(CNC(=O)NCc2ccc(N)cc2)CCC[NH2+]C1 ZINC001120630437 937819660 /nfs/dbraw/zinc/81/96/60/937819660.db2.gz ATDKCBGCMAFWBZ-OAHLLOKOSA-N 1 0 276.384 1.458 20 10 CDCDRO CCN1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001120681565 937825395 /nfs/dbraw/zinc/82/53/95/937825395.db2.gz KTAAPOHGHMVSGR-UHFFFAOYSA-N 1 0 262.357 1.116 20 10 CDCDRO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160873229 938835188 /nfs/dbraw/zinc/83/51/88/938835188.db2.gz VVRNDLZISIUJGS-ZDUSSCGKSA-N 1 0 292.379 1.419 20 10 CDCDRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC001161051624 938865516 /nfs/dbraw/zinc/86/55/16/938865516.db2.gz XDNZGVSRFPXNJM-OAHLLOKOSA-N 1 0 275.396 1.752 20 10 CDCDRO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccccc2O)CC1 ZINC001203555951 939693413 /nfs/dbraw/zinc/69/34/13/939693413.db2.gz KRISCYZTZRQCLL-ZDUSSCGKSA-N 1 0 291.347 1.736 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)c1 ZINC001203620941 939696998 /nfs/dbraw/zinc/69/69/98/939696998.db2.gz KJHJPVFIVKNJDG-AWEZNQCLSA-N 1 0 251.326 1.605 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(O)c1 ZINC001203620795 939697049 /nfs/dbraw/zinc/69/70/49/939697049.db2.gz IKBOIVWUBPWRKT-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1 ZINC001203929978 939714793 /nfs/dbraw/zinc/71/47/93/939714793.db2.gz MKZLOAONYNDZHS-KGLIPLIRSA-N 1 0 252.333 1.657 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC001203937813 939715169 /nfs/dbraw/zinc/71/51/69/939715169.db2.gz TWWPNKDDTPIKRM-UHFFFAOYSA-N 1 0 291.439 1.907 20 10 CDCDRO Cc1cc(CN2C[C@H]([NH3+])C[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001204954019 939807569 /nfs/dbraw/zinc/80/75/69/939807569.db2.gz DFEHVMJCHYWVLO-AEFFLSMTSA-N 1 0 299.418 1.988 20 10 CDCDRO COc1ccc(CN2C[C@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205807394 939939386 /nfs/dbraw/zinc/93/93/86/939939386.db2.gz ZZNNRFKIIXBOKP-YPMHNXCESA-N 1 0 264.369 1.960 20 10 CDCDRO COc1cc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)cc1O ZINC001205880669 939950584 /nfs/dbraw/zinc/95/05/84/939950584.db2.gz OEKDPCVWQNMBDY-KOLCDFICSA-N 1 0 266.341 1.276 20 10 CDCDRO Cc1nc2c(ccn2C)c(-c2cnn(CC[NH+](C)C)c2)n1 ZINC001206316623 940017463 /nfs/dbraw/zinc/01/74/63/940017463.db2.gz GXSYVUASSJIYLW-UHFFFAOYSA-N 1 0 284.367 1.702 20 10 CDCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(N2CCOCC2)cc1 ZINC001276635887 940463763 /nfs/dbraw/zinc/46/37/63/940463763.db2.gz XVFWACNNMIYQTA-CALCHBBNSA-N 1 0 287.407 1.412 20 10 CDCDRO C[C@@H](Cc1cccnc1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258611230 945358473 /nfs/dbraw/zinc/35/84/73/945358473.db2.gz GZELFMVUKDOHQL-NSHDSACASA-N 1 0 288.347 1.962 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001276815300 941465139 /nfs/dbraw/zinc/46/51/39/941465139.db2.gz RCXIOYRDCHCCES-OKILXGFUSA-N 1 0 292.379 1.306 20 10 CDCDRO O=C([C@@H]1CC12C[NH+](Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446993 942587945 /nfs/dbraw/zinc/58/79/45/942587945.db2.gz XTEATXIZBZGHHJ-AWEZNQCLSA-N 1 0 284.359 1.613 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(O)cc1O ZINC001231635346 942951461 /nfs/dbraw/zinc/95/14/61/942951461.db2.gz XCMDNXWXXCZPKK-ONGXEEELSA-N 1 0 267.325 1.309 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)cc1O ZINC001231637374 942954426 /nfs/dbraw/zinc/95/44/26/942954426.db2.gz LFPHNOFBNJBFPX-RTCCRHLQSA-N 1 0 267.300 1.754 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001231843257 943027049 /nfs/dbraw/zinc/02/70/49/943027049.db2.gz UCTAGQHCLLCDCJ-LBPRGKRZSA-N 1 0 251.326 1.202 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC001231879226 943039212 /nfs/dbraw/zinc/03/92/12/943039212.db2.gz ATPFBSZJXPRHOR-DZGCQCFKSA-N 1 0 273.332 1.330 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCCO1 ZINC001231914864 943054449 /nfs/dbraw/zinc/05/44/49/943054449.db2.gz SVMGFKKSCBANOM-GFCCVEGCSA-N 1 0 299.754 1.810 20 10 CDCDRO Oc1cc(CN2CC([NH+]3CCC(F)CC3)C2)cc(O)c1O ZINC001233017675 943465627 /nfs/dbraw/zinc/46/56/27/943465627.db2.gz ZGXSLVUOXSHBKF-UHFFFAOYSA-N 1 0 296.342 1.422 20 10 CDCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486105 943594406 /nfs/dbraw/zinc/59/44/06/943594406.db2.gz YPCATUCXHOSPDX-ZJUUUORDSA-N 1 0 295.335 1.577 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]23C[C@H]2CCC[NH2+]3)cc1 ZINC001263092819 943741666 /nfs/dbraw/zinc/74/16/66/943741666.db2.gz GHBWTHKERHOCRN-CJNGLKHVSA-N 1 0 273.380 1.511 20 10 CDCDRO CCc1ccc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)OC)c(O)c1 ZINC001236200964 944429002 /nfs/dbraw/zinc/42/90/02/944429002.db2.gz LABQTNQYDCTJCC-STQMWFEESA-N 1 0 278.352 1.029 20 10 CDCDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000701399430 944443969 /nfs/dbraw/zinc/44/39/69/944443969.db2.gz KBAQLYLCSGSWJF-YSKGHYERSA-N 1 0 273.380 1.586 20 10 CDCDRO Oc1ccc(F)c(Cl)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236298940 944457979 /nfs/dbraw/zinc/45/79/79/944457979.db2.gz VTDCMLCCCNHATR-GMSGAONNSA-N 1 0 256.708 1.588 20 10 CDCDRO C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@@H](C)[NH2+]1 ZINC001236578988 944514977 /nfs/dbraw/zinc/51/49/77/944514977.db2.gz OPXDGGMOVJUKPZ-CHWSQXEVSA-N 1 0 275.396 1.697 20 10 CDCDRO COc1cc(O)c(CN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001236752907 944558681 /nfs/dbraw/zinc/55/86/81/944558681.db2.gz 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COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293802124 378613350 /nfs/dbraw/zinc/61/33/50/378613350.db2.gz VEGJVLPSTCBVHJ-UHTWSYAYSA-N 1 0 281.352 1.591 20 10 CDCDRO Cc1c(/C=C\C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cnn1C ZINC000493050832 253357033 /nfs/dbraw/zinc/35/70/33/253357033.db2.gz OYUCUAAARLWOOG-LZNQSLFOSA-N 1 0 296.374 1.658 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COCCN2)c(O)c1 ZINC000530227346 328718221 /nfs/dbraw/zinc/71/82/21/328718221.db2.gz SJNCFQKQEUBDPI-QWHCGFSZSA-N 1 0 264.369 1.648 20 10 CDCDRO C[N@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000109770847 390648079 /nfs/dbraw/zinc/64/80/79/390648079.db2.gz JKBYGRJPRRXISL-UHFFFAOYSA-N 1 0 276.258 1.503 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000179372523 391203013 /nfs/dbraw/zinc/20/30/13/391203013.db2.gz OAUUGABALMVYIU-CYBMUJFWSA-N 1 0 293.363 1.986 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000179580055 391213011 /nfs/dbraw/zinc/21/30/11/391213011.db2.gz DJDUVHJZLRUMMG-CQSZACIVSA-N 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ZINC000278784933 522747495 /nfs/dbraw/zinc/74/74/95/522747495.db2.gz ZQBGMNAXIKVBSP-AAEUAGOBSA-N 1 0 295.335 1.405 20 10 CDCDRO COCC1(C[NH2+]Cc2cc(OC)ccc2O)CCOCC1 ZINC000292736154 522900270 /nfs/dbraw/zinc/90/02/70/522900270.db2.gz GVIGXGKFXFYKDU-UHFFFAOYSA-N 1 0 295.379 1.934 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000282285953 524084996 /nfs/dbraw/zinc/08/49/96/524084996.db2.gz IQALSCJJMUMXKL-HZMBPMFUSA-N 1 0 262.353 1.618 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000279869032 525100483 /nfs/dbraw/zinc/10/04/83/525100483.db2.gz TUUUWKASKZQQHZ-UHFFFAOYSA-N 1 0 289.784 1.712 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccccc1O ZINC000068800503 525396740 /nfs/dbraw/zinc/39/67/40/525396740.db2.gz MLCJIKCUKIHMPS-QWHCGFSZSA-N 1 0 263.385 1.289 20 10 CDCDRO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279956337 526409084 /nfs/dbraw/zinc/40/90/84/526409084.db2.gz SOTOUQCXUCXJKN-ZDUSSCGKSA-N 1 0 290.363 1.383 20 10 CDCDRO OC[C@H](C[NH2+]Cc1ccccc1O)[C@H]1CCOC1 ZINC000280365651 527606922 /nfs/dbraw/zinc/60/69/22/527606922.db2.gz UHGUOKXJYIKVFY-STQMWFEESA-N 1 0 251.326 1.127 20 10 CDCDRO COCC[N@H+](C)CCCNC(=O)C1=CC(=O)CS1 ZINC000732270546 575085361 /nfs/dbraw/zinc/08/53/61/575085361.db2.gz XCUJOUKIJNXQGL-UHFFFAOYSA-N 1 0 272.370 1.152 20 10 CDCDRO C[C@@H]1C[N@H+](CCCNC(=O)C2=CC(=O)CS2)CCCO1 ZINC000762922476 576693165 /nfs/dbraw/zinc/69/31/65/576693165.db2.gz UAAYWRBCWSPBSJ-LLVKDONJSA-N 1 0 298.408 1.684 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734271673 575334281 /nfs/dbraw/zinc/33/42/81/575334281.db2.gz DOULMVNMCAQPST-LBPRGKRZSA-N 1 0 275.352 1.428 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000770292675 575436941 /nfs/dbraw/zinc/43/69/41/575436941.db2.gz OFFHJPKFARRJGN-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000771926707 575637381 /nfs/dbraw/zinc/63/73/81/575637381.db2.gz HNLWIWSVCCOQOY-SNVBAGLBSA-N 1 0 264.325 1.098 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCN(C)CC2)c(O)c1 ZINC000771924565 575637540 /nfs/dbraw/zinc/63/75/40/575637540.db2.gz OEWMVGROKYFEDD-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000773753371 575837901 /nfs/dbraw/zinc/83/79/01/575837901.db2.gz HWAYVPGFZRXCPI-HNNXBMFYSA-N 1 0 288.395 1.352 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000773810874 575839385 /nfs/dbraw/zinc/83/93/85/575839385.db2.gz CMGMNPVAYIROPP-INIZCTEOSA-N 1 0 287.407 1.949 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCCCO1 ZINC000768442605 576283222 /nfs/dbraw/zinc/28/32/22/576283222.db2.gz MHRZRFJEGKCEAP-WFASDCNBSA-N 1 0 293.363 1.819 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC(C)(C)O1 ZINC000768441528 576283679 /nfs/dbraw/zinc/28/36/79/576283679.db2.gz DBSYLOXVBRPXTE-QMTHXVAHSA-N 1 0 293.363 1.817 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCOC1 ZINC000768446508 576284243 /nfs/dbraw/zinc/28/42/43/576284243.db2.gz KSYCRCDHKQUUSK-NHYWBVRUSA-N 1 0 293.363 1.676 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000768448872 576284668 /nfs/dbraw/zinc/28/46/68/576284668.db2.gz YBCNJPLIOFDOBU-HZMBPMFUSA-N 1 0 279.336 1.429 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@H](OC)C2)c(O)cc1C ZINC000768463104 576287101 /nfs/dbraw/zinc/28/71/01/576287101.db2.gz GIKJFPLSACGEJH-LBPRGKRZSA-N 1 0 251.326 1.930 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000749127064 576936338 /nfs/dbraw/zinc/93/63/38/576936338.db2.gz UEFACWXXHVHOFF-NSHDSACASA-N 1 0 295.358 1.016 20 10 CDCDRO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccccc1O ZINC000036331694 617354581 /nfs/dbraw/zinc/35/45/81/617354581.db2.gz ICFSTTJWXVXBOY-SNVBAGLBSA-N 1 0 269.366 1.620 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892022057 617415669 /nfs/dbraw/zinc/41/56/69/617415669.db2.gz STJRJWKQMGZJPS-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892141167 617503464 /nfs/dbraw/zinc/50/34/64/617503464.db2.gz OBVPUIIMFDALCJ-QWRGUYRKSA-N 1 0 265.357 1.880 20 10 CDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000892199312 617546202 /nfs/dbraw/zinc/54/62/02/617546202.db2.gz MCNNFESQXSANSE-OUAUKWLOSA-N 1 0 265.357 1.878 20 10 CDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCOC1 ZINC000840964294 617850671 /nfs/dbraw/zinc/85/06/71/617850671.db2.gz YXGHSNGCLIWNBP-GJZGRUSLSA-N 1 0 277.364 1.499 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1F ZINC000840974694 617946835 /nfs/dbraw/zinc/94/68/35/617946835.db2.gz FGFGZZGJFWSMFH-WFASDCNBSA-N 1 0 282.359 1.067 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c(O)c1OC ZINC000893070370 618122414 /nfs/dbraw/zinc/12/24/14/618122414.db2.gz HTJSRYSBTOXGTA-CMPLNLGQSA-N 1 0 281.352 1.924 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000795582145 618390712 /nfs/dbraw/zinc/39/07/12/618390712.db2.gz IWAXQVGWGXFCFC-CHWSQXEVSA-N 1 0 281.352 1.135 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H](CO)SC)c1O ZINC000894281349 618449951 /nfs/dbraw/zinc/44/99/51/618449951.db2.gz OPNNZPDZCDSXCI-MFKMUULPSA-N 1 0 285.409 1.911 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)[C@H]1OC ZINC000894185871 618669607 /nfs/dbraw/zinc/66/96/07/618669607.db2.gz TUPIBZZWXXTTIX-NWANDNLSSA-N 1 0 281.352 1.683 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C(C)(C)[C@H](C)O)c1O ZINC000894366854 618824115 /nfs/dbraw/zinc/82/41/15/618824115.db2.gz HRLOXIULLDXYSZ-JTQLQIEISA-N 1 0 253.342 1.958 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1C ZINC000895327878 619565295 /nfs/dbraw/zinc/56/52/95/619565295.db2.gz DZTUFHNHOVGCQR-ZFWWWQNUSA-N 1 0 265.353 1.327 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897202698 620413106 /nfs/dbraw/zinc/41/31/06/620413106.db2.gz WOFGFZNQKUITRU-GFCCVEGCSA-N 1 0 255.289 1.426 20 10 CDCDRO CCOCCOCC[NH2+]Cc1cc(OC)ccc1O ZINC000897204163 620416954 /nfs/dbraw/zinc/41/69/54/620416954.db2.gz KWSIQGCMFWBFQO-UHFFFAOYSA-N 1 0 269.341 1.544 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NCCC[NH2+]C ZINC000841914913 620486157 /nfs/dbraw/zinc/48/61/57/620486157.db2.gz LHDRJILLWGDFHU-UHFFFAOYSA-N 1 0 279.384 1.923 20 10 CDCDRO COc1cc(C)cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000897676764 621063456 /nfs/dbraw/zinc/06/34/56/621063456.db2.gz XKZBATCOYWECQZ-JQWIXIFHSA-N 1 0 251.326 1.522 20 10 CDCDRO CC[C@H](CO)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000929153196 621463326 /nfs/dbraw/zinc/46/33/26/621463326.db2.gz SNZUYXPBLVQFGN-CYBMUJFWSA-N 1 0 264.369 1.588 20 10 CDCDRO COC[C@]1(CNCc2ccc(OC)c(C)c2)CCC[NH2+]1 ZINC000841067710 621703637 /nfs/dbraw/zinc/70/36/37/621703637.db2.gz OWMKRNFFWHQFLK-MRXNPFEDSA-N 1 0 278.396 1.862 20 10 CDCDRO [NH3+]C1CC([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000906511203 627298311 /nfs/dbraw/zinc/29/83/11/627298311.db2.gz YGNZKMFSTIJDRR-UHFFFAOYSA-N 1 0 271.158 1.734 20 10 CDCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921724406 633243382 /nfs/dbraw/zinc/24/33/82/633243382.db2.gz IZSQDUOXSQYJLC-INIZCTEOSA-N 1 0 289.423 1.347 20 10 CDCDRO Nc1ccc(NCC(=O)c2ccc(O)c(O)c2)cn1 ZINC001170314911 1162334815 /nfs/dbraw/zinc/33/48/15/1162334815.db2.gz KNPQMBPIUINBNX-UHFFFAOYSA-N 1 0 259.265 1.370 20 10 CDCDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c(O)c1O ZINC000177680851 1158622694 /nfs/dbraw/zinc/62/26/94/1158622694.db2.gz LKMJPOQDDKUELS-NSHDSACASA-N 1 0 278.352 1.572 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(N)cc3)CC[C@@H]21 ZINC000166513848 1160989613 /nfs/dbraw/zinc/98/96/13/1160989613.db2.gz QNLADLBAYLKDCT-ZBFHGGJFSA-N 1 0 287.407 1.754 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000922938676 1161536227 /nfs/dbraw/zinc/53/62/27/1161536227.db2.gz SZKLAMQINOMUNQ-ZDUSSCGKSA-N 1 0 251.326 1.596 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000876624983 1165882713 /nfs/dbraw/zinc/88/27/13/1165882713.db2.gz NFNLYYULNQPSPL-CYBMUJFWSA-N 1 0 289.379 1.690 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c(O)c1 ZINC000876652575 1165886101 /nfs/dbraw/zinc/88/61/01/1165886101.db2.gz PYNGGXNCEIUKNV-UONOGXRCSA-N 1 0 274.364 1.944 20 10 CDCDRO CSC[C@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000877055613 1165966713 /nfs/dbraw/zinc/96/67/13/1165966713.db2.gz CUQMNBCVYWZCIJ-CYBMUJFWSA-N 1 0 255.383 1.904 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1 ZINC000878984631 1166278997 /nfs/dbraw/zinc/27/89/97/1166278997.db2.gz VYLQBCXTOIMZLC-HUUCEWRRSA-N 1 0 264.369 1.070 20 10 CDCDRO Cc1cc(C[NH+]2CCC(CO)(CO)CC2)ccc1N(C)C ZINC000879971412 1166432625 /nfs/dbraw/zinc/43/26/25/1166432625.db2.gz UGGPITDUGBRJDO-UHFFFAOYSA-N 1 0 292.423 1.628 20 10 CDCDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC001573569056 1170694855 /nfs/dbraw/zinc/69/48/55/1170694855.db2.gz MGYTZNDDGONRHR-SMDDNHRTSA-N 1 0 261.369 1.682 20 10 CDCDRO C[C@H](NC(=O)NC[C@@H]1CC[NH2+]1)c1ccc(N(C)C)cc1 ZINC001576207507 1171358705 /nfs/dbraw/zinc/35/87/05/1171358705.db2.gz MTQHJBHXQAUZSO-AAEUAGOBSA-N 1 0 276.384 1.475 20 10 CDCDRO C[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[NH2+]1 ZINC001576667908 1171485482 /nfs/dbraw/zinc/48/54/82/1171485482.db2.gz WLHWZUHSKLYLJJ-SKDRFNHKSA-N 1 0 289.339 1.719 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC001578239825 1171846437 /nfs/dbraw/zinc/84/64/37/1171846437.db2.gz GFKBKPKZTZEMBB-BDAKNGLRSA-N 1 0 268.288 1.107 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC12C[NH2+]C2 ZINC001578489706 1171935139 /nfs/dbraw/zinc/93/51/39/1171935139.db2.gz HGGOFOHCTAYXKY-MRXNPFEDSA-N 1 0 299.418 1.855 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H]([NH3+])[C@@H]2C[C@@H]21 ZINC001579616757 1172225419 /nfs/dbraw/zinc/22/54/19/1172225419.db2.gz FQWZFVLQPGJODI-XUWVNRHRSA-N 1 0 287.407 1.661 20 10 CDCDRO C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1O ZINC000870988285 1165250294 /nfs/dbraw/zinc/25/02/94/1165250294.db2.gz LONCWMZDNHJVCJ-GHMZBOCLSA-N 1 0 280.393 1.665 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)CO)cc1Cn1cccn1 ZINC000873020327 1165504282 /nfs/dbraw/zinc/50/42/82/1165504282.db2.gz OAZKNBJPFBJXQZ-GFCCVEGCSA-N 1 0 275.352 1.410 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000876561445 1165870604 /nfs/dbraw/zinc/87/06/04/1165870604.db2.gz KASSFXSKXJHDMP-UHFFFAOYSA-N 1 0 298.408 1.168 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877469423 1166043176 /nfs/dbraw/zinc/04/31/76/1166043176.db2.gz VCQYTKBZZGHPKN-NSHDSACASA-N 1 0 250.342 1.657 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000877574359 1166059061 /nfs/dbraw/zinc/05/90/61/1166059061.db2.gz HJYNSLJQCRCWHS-ZDUSSCGKSA-N 1 0 291.395 1.936 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877660079 1166075505 /nfs/dbraw/zinc/07/55/05/1166075505.db2.gz ILNAFNXPOATSLI-JTQLQIEISA-N 1 0 252.314 1.199 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](CO)C2)cc1OC ZINC000877667819 1166076051 /nfs/dbraw/zinc/07/60/51/1166076051.db2.gz RCCHZDQBZIECJN-JGZJWPJOSA-N 1 0 267.325 1.270 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000879647577 1166389735 /nfs/dbraw/zinc/38/97/35/1166389735.db2.gz FCRLGEQUFJBEJR-RWMBFGLXSA-N 1 0 292.379 1.679 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000190054739 912370857 /nfs/dbraw/zinc/37/08/57/912370857.db2.gz HQMYMKVUAUJYOH-DGCLKSJQSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834623945 895653762 /nfs/dbraw/zinc/65/37/62/895653762.db2.gz CLLFXOJVKDAADT-PWSUYJOCSA-N 1 0 283.393 1.792 20 10 CDCDRO CN1CC[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001272618141 914185428 /nfs/dbraw/zinc/18/54/28/914185428.db2.gz BXJKTDDQTIUUQO-OAHLLOKOSA-N 1 0 260.337 1.446 20 10 CDCDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179564909 898075080 /nfs/dbraw/zinc/07/50/80/898075080.db2.gz JCVCQXRVYGAJBV-LBPRGKRZSA-N 1 0 262.353 1.870 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000179409828 899424806 /nfs/dbraw/zinc/42/48/06/899424806.db2.gz RABFFOTTZLYWIW-UHFFFAOYSA-N 1 0 256.733 1.614 20 10 CDCDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000312032284 899453654 /nfs/dbraw/zinc/45/36/54/899453654.db2.gz YDKKRKYJEHZNGF-DOMZBBRYSA-N 1 0 266.385 1.801 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C)C2)c1O ZINC000228673476 901538482 /nfs/dbraw/zinc/53/84/82/901538482.db2.gz OYRNWIJFYOQJKE-LLVKDONJSA-N 1 0 270.760 1.848 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1c(O)ccc(F)c1Cl)C2 ZINC001236021034 914545789 /nfs/dbraw/zinc/54/57/89/914545789.db2.gz AYQUBJMJDOXZHF-MADCSZMMSA-N 1 0 256.708 1.718 20 10 CDCDRO CC(C)[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177238116 914549560 /nfs/dbraw/zinc/54/95/60/914549560.db2.gz RKFDXPARCYMKDR-UHFFFAOYSA-N 1 0 291.355 1.967 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000237055682 902617919 /nfs/dbraw/zinc/61/79/19/902617919.db2.gz VLMGOGHQJLLZNU-ZDUSSCGKSA-N 1 0 294.395 1.601 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 ZINC001270577070 904750048 /nfs/dbraw/zinc/75/00/48/904750048.db2.gz VRPPHJZKUQYSSV-YHWZYXNKSA-N 1 0 290.363 1.382 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922180966 921324092 /nfs/dbraw/zinc/32/40/92/921324092.db2.gz QZLNZHYYJCXZGK-DZGCQCFKSA-N 1 0 263.337 1.515 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841656335 907804244 /nfs/dbraw/zinc/80/42/44/907804244.db2.gz ZUOBJPQCGAQFDK-GFCCVEGCSA-N 1 0 264.373 1.289 20 10 CDCDRO COc1cccc(C[NH+]2CCC(OC(C)=O)CC2)c1O ZINC000093454030 909089307 /nfs/dbraw/zinc/08/93/07/909089307.db2.gz MQHBOODSZCDIEM-UHFFFAOYSA-N 1 0 279.336 1.928 20 10 CDCDRO C[C@H]([NH2+]CC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775258371 921523815 /nfs/dbraw/zinc/52/38/15/921523815.db2.gz YTVMBCRRNUEVED-ZDUSSCGKSA-N 1 0 291.395 1.262 20 10 CDCDRO O=C1CC[C@H]2C[C@H]([NH2+]CCc3ccc(O)c(O)c3)CCN12 ZINC001172150289 911364934 /nfs/dbraw/zinc/36/49/34/911364934.db2.gz MNKWXUQERSAPCF-OLZOCXBDSA-N 1 0 290.363 1.383 20 10 CDCDRO Oc1cc(O)c(CC[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc1O ZINC001172231444 911470604 /nfs/dbraw/zinc/47/06/04/911470604.db2.gz SIZZNMFNYKPIBG-YOGCLGLASA-N 1 0 277.320 1.422 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCCO1 ZINC001231595174 911790052 /nfs/dbraw/zinc/79/00/52/911790052.db2.gz UIGMSIUYHBEECD-ZDUSSCGKSA-N 1 0 279.336 1.465 20 10 CDCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000228067986 911824684 /nfs/dbraw/zinc/82/46/84/911824684.db2.gz PDOQTSNHYNCBNU-KBPBESRZSA-N 1 0 278.396 1.772 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000228941325 912013073 /nfs/dbraw/zinc/01/30/73/912013073.db2.gz MOGNEMWDCYKFMB-QWRGUYRKSA-N 1 0 250.342 1.956 20 10 CDCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922641231 921722002 /nfs/dbraw/zinc/72/20/02/921722002.db2.gz YOYHXCXMGNPRJM-DYVFJYSZSA-N 1 0 290.407 1.772 20 10 CDCDRO Oc1c(CN2C[C@@H]3C[NH2+]C[C@@H]32)cccc1C(F)(F)F ZINC001236294608 914899652 /nfs/dbraw/zinc/89/96/52/914899652.db2.gz OWRSAPXWSUMTRR-ONGXEEELSA-N 1 0 272.270 1.815 20 10 CDCDRO C[NH+](C)CCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689436 915925223 /nfs/dbraw/zinc/92/52/23/915925223.db2.gz PEBGBZNCRLRIGY-VQHVLOKHSA-N 1 0 292.379 1.959 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCOC2)cc1C ZINC001124508829 936320960 /nfs/dbraw/zinc/32/09/60/936320960.db2.gz IVVXRBAPNHRYJN-CQSZACIVSA-N 1 0 292.379 1.246 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC001236784692 916398998 /nfs/dbraw/zinc/39/89/98/916398998.db2.gz YLSRWTUBFQLWEP-CYBMUJFWSA-N 1 0 251.326 1.148 20 10 CDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2c(O)ccc(F)c2F)C1 ZINC001206447438 916990887 /nfs/dbraw/zinc/99/08/87/916990887.db2.gz YBPOFISNHDGPNW-SFYZADRCSA-N 1 0 260.259 1.542 20 10 CDCDRO C[C@H](C[NH3+])C(=O)NCCCSc1nccs1 ZINC000829528032 936421436 /nfs/dbraw/zinc/42/14/36/936421436.db2.gz JNNKOVJHPNMFSI-MRVPVSSYSA-N 1 0 259.400 1.336 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004322 936472911 /nfs/dbraw/zinc/47/29/11/936472911.db2.gz FFCVNCJGBRQLSD-BBRMVZONSA-N 1 0 287.407 1.901 20 10 CDCDRO CCc1cccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827125631 936492047 /nfs/dbraw/zinc/49/20/47/936492047.db2.gz NDBWFOHBROOOLF-MRXNPFEDSA-N 1 0 290.407 1.861 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@@H]2COCCO2)c1O ZINC000827140321 936493473 /nfs/dbraw/zinc/49/34/73/936493473.db2.gz JZUSNYRZRIMXPJ-GFCCVEGCSA-N 1 0 267.325 1.248 20 10 CDCDRO Oc1cccc(Cl)c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385380897 918793260 /nfs/dbraw/zinc/79/32/60/918793260.db2.gz NZWRCCKIZZWKSS-SKDRFNHKSA-N 1 0 252.745 1.839 20 10 CDCDRO CC[C@H](C)OCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267659 936570782 /nfs/dbraw/zinc/57/07/82/936570782.db2.gz YNJRKYWMAKQIDY-WFASDCNBSA-N 1 0 293.411 1.684 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCCN(C=O)CC1 ZINC000827877273 936611796 /nfs/dbraw/zinc/61/17/96/936611796.db2.gz KVWKLYJPZBEOSY-UHFFFAOYSA-N 1 0 264.325 1.065 20 10 CDCDRO Cn1ccnc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000827891246 936613443 /nfs/dbraw/zinc/61/34/43/936613443.db2.gz FFRQDVCKDOWZSG-UHFFFAOYSA-N 1 0 272.352 1.448 20 10 CDCDRO C[N@H+](CCC1OCCO1)Cc1cc(F)ccc1O ZINC001140059164 936675202 /nfs/dbraw/zinc/67/52/02/936675202.db2.gz WPYLPMNGTNHIEX-UHFFFAOYSA-N 1 0 255.289 1.726 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN3CCOCC3)cc2)CC1 ZINC001140300785 936699145 /nfs/dbraw/zinc/69/91/45/936699145.db2.gz UATDADUDQGLQJL-UHFFFAOYSA-N 1 0 289.423 1.661 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1 ZINC000398335611 936710527 /nfs/dbraw/zinc/71/05/27/936710527.db2.gz KITJNPDOUJVTHR-NXEZZACHSA-N 1 0 264.325 1.188 20 10 CDCDRO C[N@H+](C1CN(Cc2ccc(Cl)cc2O)C1)[C@@H]1CCOC1 ZINC001140465935 936712384 /nfs/dbraw/zinc/71/23/84/936712384.db2.gz UOYUCRDLZVJQSZ-CYBMUJFWSA-N 1 0 296.798 1.951 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c1O ZINC001140751327 936750000 /nfs/dbraw/zinc/75/00/00/936750000.db2.gz SBTBEZXMTJTUNG-UHFFFAOYSA-N 1 0 276.336 1.070 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccccc1O ZINC000702572715 922570475 /nfs/dbraw/zinc/57/04/75/922570475.db2.gz IKZNFFOATRQMCV-FZMZJTMJSA-N 1 0 250.342 1.109 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(OC)c1 ZINC001141031355 936794735 /nfs/dbraw/zinc/79/47/35/936794735.db2.gz DJBQTEUNKJNIIE-STQMWFEESA-N 1 0 299.342 1.704 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(OC)c1 ZINC001141029029 936794866 /nfs/dbraw/zinc/79/48/66/936794866.db2.gz IATMTYPWLQYTJS-SMDDNHRTSA-N 1 0 292.379 1.545 20 10 CDCDRO CN1CC[C@@](O)(C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000705720939 923006057 /nfs/dbraw/zinc/00/60/57/923006057.db2.gz ZEPNVOWINIKEHR-SWLSCSKDSA-N 1 0 262.353 1.036 20 10 CDCDRO CN1CCOc2cc(C[N@H+](C)CC3(C)COC3)ccc21 ZINC001141143799 936819557 /nfs/dbraw/zinc/81/95/57/936819557.db2.gz KNNYIXWVVMKRDG-UHFFFAOYSA-N 1 0 276.380 1.984 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156121 936821412 /nfs/dbraw/zinc/82/14/12/936821412.db2.gz QTZSFUGNWOBWRV-JTQLQIEISA-N 1 0 265.309 1.483 20 10 CDCDRO Oc1ccc(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1 ZINC001141156013 936821534 /nfs/dbraw/zinc/82/15/34/936821534.db2.gz OJMOIVCMKPCSTH-CYBMUJFWSA-N 1 0 278.352 1.004 20 10 CDCDRO Cc1nc(CC[N@@H+](C)Cc2cc(O)ccc2O)no1 ZINC001141156754 936821633 /nfs/dbraw/zinc/82/16/33/936821633.db2.gz UDQLSDKXYBSZDJ-UHFFFAOYSA-N 1 0 263.297 1.464 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140678 936818976 /nfs/dbraw/zinc/81/89/76/936818976.db2.gz OKNDYXZWZVNRQA-AWEZNQCLSA-N 1 0 276.380 1.984 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141163083 936824039 /nfs/dbraw/zinc/82/40/39/936824039.db2.gz OLUHJKJPSQMCBI-NSHDSACASA-N 1 0 279.336 1.873 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCO[C@H]2CCOC2)cc1F ZINC000922938102 923380465 /nfs/dbraw/zinc/38/04/65/923380465.db2.gz LONLWJDQPQOOHP-ZDUSSCGKSA-N 1 0 282.359 1.787 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000838935109 936897673 /nfs/dbraw/zinc/89/76/73/936897673.db2.gz AMSNMPZFOZCWRK-TZMCWYRMSA-N 1 0 275.396 1.929 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)C3)cc2)CC1 ZINC000775638090 924468270 /nfs/dbraw/zinc/46/82/70/924468270.db2.gz AFXYYFSBJJYQAB-KRWDZBQOSA-N 1 0 289.423 1.395 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCc1cnn(C)n1 ZINC000840948198 936969198 /nfs/dbraw/zinc/96/91/98/936969198.db2.gz BQNIUNKVUFKWIX-UHFFFAOYSA-N 1 0 287.411 1.912 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cnnn1C ZINC000840978023 936970515 /nfs/dbraw/zinc/97/05/15/936970515.db2.gz ZGTQPZRMZMPGEU-CYBMUJFWSA-N 1 0 287.411 1.910 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203876008 925117859 /nfs/dbraw/zinc/11/78/59/925117859.db2.gz ZSJRNRQCACDBLW-CMPLNLGQSA-N 1 0 251.326 1.691 20 10 CDCDRO COc1cccc(O)c1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105893 936975892 /nfs/dbraw/zinc/97/58/92/936975892.db2.gz BLPTUQZGLLJDGU-OAHLLOKOSA-N 1 0 262.353 1.729 20 10 CDCDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835141 925387205 /nfs/dbraw/zinc/38/72/05/925387205.db2.gz RVKLPMRJWGCSQQ-WBMJQRKESA-N 1 0 294.395 1.717 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841828567 937016261 /nfs/dbraw/zinc/01/62/61/937016261.db2.gz VMISLMIIITZJGR-HNNXBMFYSA-N 1 0 290.411 1.598 20 10 CDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000841831800 937016819 /nfs/dbraw/zinc/01/68/19/937016819.db2.gz GBIQEBBHSLQRIQ-CQSZACIVSA-N 1 0 286.379 1.224 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000775984366 925755591 /nfs/dbraw/zinc/75/55/91/925755591.db2.gz FUSZPIQYURAGBF-WDEREUQCSA-N 1 0 278.352 1.645 20 10 CDCDRO CC(C)[NH2+]CCCNC(=O)N(C)Cc1ccccc1O ZINC000841934188 937024010 /nfs/dbraw/zinc/02/40/10/937024010.db2.gz RCKSBHSAYJTKOU-UHFFFAOYSA-N 1 0 279.384 1.922 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)N(C)Cc1ccccc1O ZINC000841944119 937024252 /nfs/dbraw/zinc/02/42/52/937024252.db2.gz WVYHBGYRULICAO-GFCCVEGCSA-N 1 0 265.357 1.517 20 10 CDCDRO O=C([C@@H]1CC2CC[NH+]1CC2)N1CCc2cccc(O)c2C1 ZINC001142629598 937041957 /nfs/dbraw/zinc/04/19/57/937041957.db2.gz PVWZOJXMZJFSRF-HNNXBMFYSA-N 1 0 286.375 1.761 20 10 CDCDRO CCN(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786029 937080045 /nfs/dbraw/zinc/08/00/45/937080045.db2.gz SIAXLQLVUKXWBV-CYBMUJFWSA-N 1 0 264.373 1.414 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000843056340 937109012 /nfs/dbraw/zinc/10/90/12/937109012.db2.gz YLHXZPRFVVHPHH-LLVKDONJSA-N 1 0 295.339 1.493 20 10 CDCDRO Cc1cc(O)c(CN2CCN(C)C[C@@H]2C[NH3+])cc1C ZINC000843120888 937114129 /nfs/dbraw/zinc/11/41/29/937114129.db2.gz XMBGNFXCLJOJRL-AWEZNQCLSA-N 1 0 263.385 1.084 20 10 CDCDRO CN(CC1CC1)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349843 937141502 /nfs/dbraw/zinc/14/15/02/937141502.db2.gz GCSCSEWTKZRJBM-UHFFFAOYSA-N 1 0 287.407 1.766 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843362684 937142906 /nfs/dbraw/zinc/14/29/06/937142906.db2.gz NPFXUSHNUFQARO-KOLCDFICSA-N 1 0 280.343 1.903 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364496 937143245 /nfs/dbraw/zinc/14/32/45/937143245.db2.gz KNZFKTGZVKDVHZ-KOLCDFICSA-N 1 0 280.343 1.903 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)CO1 ZINC001169335027 927958828 /nfs/dbraw/zinc/95/88/28/927958828.db2.gz PIHOCKBRMKRKTD-BXUZGUMPSA-N 1 0 295.335 1.298 20 10 CDCDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC001169588521 928241750 /nfs/dbraw/zinc/24/17/50/928241750.db2.gz ZQISXFZBEDKCGG-CQSZACIVSA-N 1 0 262.353 1.801 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2CCOC[C@H]2O)ccc1OC ZINC000858300292 928833651 /nfs/dbraw/zinc/83/36/51/928833651.db2.gz HEZAYPUDCHWYFS-HUUCEWRRSA-N 1 0 295.379 1.471 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCN2CC[C@@H](O)C2)cc1F ZINC000858298671 928833814 /nfs/dbraw/zinc/83/38/14/928833814.db2.gz UITFFCVTWBMJAM-GFCCVEGCSA-N 1 0 299.365 1.187 20 10 CDCDRO CC[C@]1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000785513127 929152701 /nfs/dbraw/zinc/15/27/01/929152701.db2.gz CYWJMEBRRZYZJP-GDBMZVCRSA-N 1 0 293.363 1.819 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(=O)[nH]n1 ZINC000796739054 937311770 /nfs/dbraw/zinc/31/17/70/937311770.db2.gz PAMXOUDRLUWYNR-JTQLQIEISA-N 1 0 271.320 1.968 20 10 CDCDRO C[C@@H]([NH3+])CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000861620748 929315284 /nfs/dbraw/zinc/31/52/84/929315284.db2.gz LHLGPXDGEWQJSU-VXGBXAGGSA-N 1 0 278.400 1.802 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862251557 929394948 /nfs/dbraw/zinc/39/49/48/929394948.db2.gz HGJPNNNCQWCAPX-JTQLQIEISA-N 1 0 299.365 1.845 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862427563 929414054 /nfs/dbraw/zinc/41/40/54/929414054.db2.gz AXIHPFONZSUBTN-ZDUSSCGKSA-N 1 0 292.379 1.844 20 10 CDCDRO COc1cccc(O)c1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000862519302 929421357 /nfs/dbraw/zinc/42/13/57/929421357.db2.gz ZUXQZCNVALYVCO-IYBDPMFKSA-N 1 0 295.379 1.214 20 10 CDCDRO CCN(Cc1ccccc1O)C[C@H](O)C[NH+](CC)CC ZINC001253192940 929926564 /nfs/dbraw/zinc/92/65/64/929926564.db2.gz CCUBEZAYNRBHQW-OAHLLOKOSA-N 1 0 280.412 1.917 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1 ZINC000815105780 929946401 /nfs/dbraw/zinc/94/64/01/929946401.db2.gz KYNHPSCKIGBIFG-INIZCTEOSA-N 1 0 275.396 1.840 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@H]1CCCOC1 ZINC000883203483 930162933 /nfs/dbraw/zinc/16/29/33/930162933.db2.gz DFTGESPHEFICJU-SWLSCSKDSA-N 1 0 295.379 1.932 20 10 CDCDRO CCOc1cccc(CN2CCC[C@H]2C[NH2+]C)c1O ZINC000133087442 930310481 /nfs/dbraw/zinc/31/04/81/930310481.db2.gz QMMQQGKVOHNMRP-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000884310347 930519801 /nfs/dbraw/zinc/51/98/01/930519801.db2.gz VRAOENWPGFRPRX-MFKMUULPSA-N 1 0 292.379 1.824 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CC[NH2+]CC2)c1 ZINC000817935101 930635504 /nfs/dbraw/zinc/63/55/04/930635504.db2.gz GNCYGQMPGRNBET-JTQLQIEISA-N 1 0 278.352 1.581 20 10 CDCDRO COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CC[NH2+]C2)c1 ZINC000817944796 930641660 /nfs/dbraw/zinc/64/16/60/930641660.db2.gz MJYCFTBHWYCJGF-MWLCHTKSSA-N 1 0 264.325 1.191 20 10 CDCDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1cc(F)ccc1O ZINC000817981282 930657432 /nfs/dbraw/zinc/65/74/32/930657432.db2.gz IKLSAESWJCZRQO-CMPLNLGQSA-N 1 0 268.332 1.560 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000817982329 930658332 /nfs/dbraw/zinc/65/83/32/930658332.db2.gz CFRUJTMRIBTRSQ-HOTGVXAUSA-N 1 0 277.412 1.782 20 10 CDCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818972058 930748224 /nfs/dbraw/zinc/74/82/24/930748224.db2.gz CJAUCYFZZZFYMY-OAHLLOKOSA-N 1 0 296.436 1.337 20 10 CDCDRO COc1cccc(O)c1CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000822520465 931167848 /nfs/dbraw/zinc/16/78/48/931167848.db2.gz CMIBZEZEJMSJJM-GXTWGEPZSA-N 1 0 276.380 1.927 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000825158515 931494304 /nfs/dbraw/zinc/49/43/04/931494304.db2.gz NQBVENMEJPDZEL-HNNXBMFYSA-N 1 0 265.353 1.531 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCC3(CN(C)C3)C2)c1O ZINC001275273850 931721687 /nfs/dbraw/zinc/72/16/87/931721687.db2.gz YOVHDLTZWYJTSO-UHFFFAOYSA-N 1 0 276.380 1.928 20 10 CDCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001275419326 931783022 /nfs/dbraw/zinc/78/30/22/931783022.db2.gz UWBVLUAIGBBGED-INIZCTEOSA-N 1 0 292.379 1.394 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCCC1=O ZINC001144499857 931858611 /nfs/dbraw/zinc/85/86/11/931858611.db2.gz MITTWPSILURRFL-SECBINFHSA-N 1 0 265.309 1.604 20 10 CDCDRO C[NH+](C)C1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144500102 931858953 /nfs/dbraw/zinc/85/89/53/931858953.db2.gz OZSSCBPUCOBCOZ-UHFFFAOYSA-N 1 0 266.341 1.329 20 10 CDCDRO O=C1OCCC12CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144515346 931879023 /nfs/dbraw/zinc/87/90/23/931879023.db2.gz KREJBGQETLUZEC-UHFFFAOYSA-N 1 0 293.319 1.333 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000846172286 931984986 /nfs/dbraw/zinc/98/49/86/931984986.db2.gz KNHYEYQUTNTXLU-JTQLQIEISA-N 1 0 299.392 1.629 20 10 CDCDRO CCN1C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000846208379 931987842 /nfs/dbraw/zinc/98/78/42/931987842.db2.gz JBLJNJMBDRKVQW-WCQYABFASA-N 1 0 274.364 1.838 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C[NH3+])cc1 ZINC000846696257 932114788 /nfs/dbraw/zinc/11/47/88/932114788.db2.gz DJNPNOOIMVRDAN-UHFFFAOYSA-N 1 0 293.411 1.575 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001275965415 932175118 /nfs/dbraw/zinc/17/51/18/932175118.db2.gz FXLYLMRALIRWHS-OKILXGFUSA-N 1 0 276.380 1.524 20 10 CDCDRO Cc1cccc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c1O ZINC001276080572 932495438 /nfs/dbraw/zinc/49/54/38/932495438.db2.gz QSFRVWHRAZFVRN-KRWDZBQOSA-N 1 0 290.407 1.997 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000234891075 932620625 /nfs/dbraw/zinc/62/06/25/932620625.db2.gz LMPBDKRPRPPPJI-WCQYABFASA-N 1 0 252.358 1.411 20 10 CDCDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000927079494 933043616 /nfs/dbraw/zinc/04/36/16/933043616.db2.gz FEBCAMZLTRRVFO-ZYHUDNBSSA-N 1 0 269.316 1.987 20 10 CDCDRO Cc1c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c2ccccc2n1C ZINC001138252439 933249200 /nfs/dbraw/zinc/24/92/00/933249200.db2.gz HIVRVBBPANRMEG-MLGOLLRUSA-N 1 0 274.364 1.272 20 10 CDCDRO OCC[NH2+]C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000686283450 934029764 /nfs/dbraw/zinc/02/97/64/934029764.db2.gz YOLKFZXOZOAHRA-UHFFFAOYSA-N 1 0 284.787 1.592 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000093808364 934916003 /nfs/dbraw/zinc/91/60/03/934916003.db2.gz GAJTVGBZTLADLT-CQSZACIVSA-N 1 0 275.396 1.840 20 10 CDCDRO C[C@@H]([NH2+]CCCn1cncn1)c1cc(F)ccc1O ZINC000381659226 935683123 /nfs/dbraw/zinc/68/31/23/935683123.db2.gz DKQGCAMTXNXGLK-SNVBAGLBSA-N 1 0 264.304 1.864 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]21 ZINC001161085449 938869902 /nfs/dbraw/zinc/86/99/02/938869902.db2.gz YCLCHIXCHAITTR-DZGCQCFKSA-N 1 0 273.380 1.364 20 10 CDCDRO COc1ccc(N(CC[NH3+])CCO)c2ccncc12 ZINC001163839853 939340403 /nfs/dbraw/zinc/34/04/03/939340403.db2.gz QVTBZHBNFQTGKK-UHFFFAOYSA-N 1 0 261.325 1.001 20 10 CDCDRO C[C@@H]1CN(C2C[NH+](Cc3ccccc3O)C2)C[C@@H](C)O1 ZINC001203563052 939693323 /nfs/dbraw/zinc/69/33/23/939693323.db2.gz UFIDMJTUEKZQSM-CHWSQXEVSA-N 1 0 276.380 1.686 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1O ZINC001203589036 939694655 /nfs/dbraw/zinc/69/46/55/939694655.db2.gz BLAQILYQRWGEIN-HNNXBMFYSA-N 1 0 276.336 1.113 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1O ZINC001203602484 939696132 /nfs/dbraw/zinc/69/61/32/939696132.db2.gz ZFEAVTTUTVDHFW-DGCLKSJQSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001203634643 939698957 /nfs/dbraw/zinc/69/89/57/939698957.db2.gz PBLSJCKHXLMDQW-CZUORRHYSA-N 1 0 276.380 1.784 20 10 CDCDRO OCCC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203651058 939699578 /nfs/dbraw/zinc/69/95/78/939699578.db2.gz INQPUWFHQSQQDB-UHFFFAOYSA-N 1 0 284.787 1.546 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CCc3nncn3CC2)cc1 ZINC001203931035 939714598 /nfs/dbraw/zinc/71/45/98/939714598.db2.gz LWMGCSISTIMELY-UHFFFAOYSA-N 1 0 271.368 1.402 20 10 CDCDRO COc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc(O)c1O ZINC001205136125 939826728 /nfs/dbraw/zinc/82/67/28/939826728.db2.gz POBWOSYNLXBWAB-GXSJLCMTSA-N 1 0 266.341 1.133 20 10 CDCDRO COC(=O)Cc1ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205896122 939953679 /nfs/dbraw/zinc/95/36/79/939953679.db2.gz WFUXYDXVMQYFFF-RISCZKNCSA-N 1 0 292.379 1.277 20 10 CDCDRO CCN(CC)c1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206092652 939979829 /nfs/dbraw/zinc/97/98/29/939979829.db2.gz QSDVJGQTKFNTFL-HUUCEWRRSA-N 1 0 293.411 1.132 20 10 CDCDRO O=C1CCCN1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000405331600 940982219 /nfs/dbraw/zinc/98/22/19/940982219.db2.gz ASQZTGMPQKJEHI-GFCCVEGCSA-N 1 0 260.337 1.592 20 10 CDCDRO [NH3+]C[C@H](O)Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217693937 941003263 /nfs/dbraw/zinc/00/32/63/941003263.db2.gz CBYAUMQAQIKHJB-CYBMUJFWSA-N 1 0 284.319 1.389 20 10 CDCDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001218031111 941035870 /nfs/dbraw/zinc/03/58/70/941035870.db2.gz MTOBGTCTRDDSMS-XPTSAGLGSA-N 1 0 289.335 1.808 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2)c1O ZINC000311674676 941331456 /nfs/dbraw/zinc/33/14/56/941331456.db2.gz PXCPELGBHZJGMN-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO [NH3+][C@H](Cc1ccccc1F)C(=O)NCc1ccccc1O ZINC001219923426 941397044 /nfs/dbraw/zinc/39/70/44/941397044.db2.gz MIOYRZOHZMCCGK-CQSZACIVSA-N 1 0 288.322 1.718 20 10 CDCDRO Cn1ccc(-c2cnn(CC[NH+]3CCCC3)c2)cc1=O ZINC001222470162 941598843 /nfs/dbraw/zinc/59/88/43/941598843.db2.gz JPDPQOZXWIMYPB-UHFFFAOYSA-N 1 0 272.352 1.345 20 10 CDCDRO O=C(Nc1cn[nH]c1)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001277440883 942576544 /nfs/dbraw/zinc/57/65/44/942576544.db2.gz GPRMASBTYOZFHI-UHFFFAOYSA-N 1 0 298.346 1.766 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1O ZINC001231592420 942939148 /nfs/dbraw/zinc/93/91/48/942939148.db2.gz QGUGUTIPCNOOOJ-VHDGCEQUSA-N 1 0 277.364 1.672 20 10 CDCDRO Cc1cccc(C[NH+]2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c1O ZINC001231594879 942939368 /nfs/dbraw/zinc/93/93/68/942939368.db2.gz LUOWSSRWMOZORF-ZIAGYGMSSA-N 1 0 290.407 1.994 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001231842444 943025503 /nfs/dbraw/zinc/02/55/03/943025503.db2.gz MALDYDQPBOIASB-HZPDHXFCSA-N 1 0 279.380 1.574 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001232835708 943413824 /nfs/dbraw/zinc/41/38/24/943413824.db2.gz GBUIGTOARYXPAR-HNNXBMFYSA-N 1 0 280.368 1.041 20 10 CDCDRO CN(C)c1ccc(CN2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c(O)c1 ZINC001232838049 943415040 /nfs/dbraw/zinc/41/50/40/943415040.db2.gz ABWIJNOYVILUMW-GASCZTMLSA-N 1 0 275.396 1.737 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c(O)c1 ZINC001232838787 943416279 /nfs/dbraw/zinc/41/62/79/943416279.db2.gz DIMRTMSNESKBAW-BETUJISGSA-N 1 0 274.364 1.869 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@@H]1C ZINC001232841097 943417354 /nfs/dbraw/zinc/41/73/54/943417354.db2.gz SGHXDQQABGTKJG-LBPRGKRZSA-N 1 0 291.395 1.511 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233009232 943458282 /nfs/dbraw/zinc/45/82/82/943458282.db2.gz ODWUDEZDINNBAE-SECBINFHSA-N 1 0 253.298 1.008 20 10 CDCDRO Oc1cc(C[N@H+]2CCCC[C@@H](O)C2)cc(O)c1O ZINC001233010300 943460607 /nfs/dbraw/zinc/46/06/07/943460607.db2.gz OAZOHBGMPGXHHY-SNVBAGLBSA-N 1 0 253.298 1.150 20 10 CDCDRO CC(C)[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482126 943591154 /nfs/dbraw/zinc/59/11/54/943591154.db2.gz AJKCWRUDBGEUNH-UHFFFAOYSA-N 1 0 266.341 1.329 20 10 CDCDRO C[C@H]1COCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483167 943593092 /nfs/dbraw/zinc/59/30/92/943593092.db2.gz PPIHIZJXOPSKAY-SECBINFHSA-N 1 0 253.298 1.272 20 10 CDCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233486455 943594359 /nfs/dbraw/zinc/59/43/59/943594359.db2.gz NQNFLWHEURXBIH-MSRIBSCDSA-N 1 0 293.319 1.044 20 10 CDCDRO Oc1ccc(F)c(Cl)c1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235060051 944035353 /nfs/dbraw/zinc/03/53/53/944035353.db2.gz DRXVOTZBCMEHNS-CQSZACIVSA-N 1 0 299.777 1.322 20 10 CDCDRO Cn1ccc(-c2cnn(CCC[NH+](C)C)c2)cc1=O ZINC001236148233 944413475 /nfs/dbraw/zinc/41/34/75/944413475.db2.gz JCVKNTXKLOIRMV-UHFFFAOYSA-N 1 0 260.341 1.201 20 10 CDCDRO COC(=O)Cc1ccc(CN2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236253235 944438525 /nfs/dbraw/zinc/43/85/25/944438525.db2.gz STXGYSMAAWDACI-CYBMUJFWSA-N 1 0 278.352 1.031 20 10 CDCDRO O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001236320729 944468767 /nfs/dbraw/zinc/46/87/67/944468767.db2.gz CNVUHKNWPSIVLE-BETUJISGSA-N 1 0 290.363 1.522 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC3(CN(C)C3)C2)cc1OC ZINC001236757356 944559587 /nfs/dbraw/zinc/55/95/87/944559587.db2.gz KUVMWAJVZWHHRN-UHFFFAOYSA-N 1 0 292.379 1.547 20 10 CDCDRO Oc1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(O)c1O ZINC001237411384 944761943 /nfs/dbraw/zinc/76/19/43/944761943.db2.gz FSXSRGVCCQGVKM-NEPJUHHUSA-N 1 0 278.352 1.377 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001237486868 944813258 /nfs/dbraw/zinc/81/32/58/944813258.db2.gz DCFPTHKCCJWDGM-AAEUAGOBSA-N 1 0 260.337 1.269 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001237681396 944923916 /nfs/dbraw/zinc/92/39/16/944923916.db2.gz OYKHKXWJIQZCOG-GWCFXTLKSA-N 1 0 285.771 1.529 20 10 CDCDRO Cc1cc(F)cc(CN2CC[NH+](CCCO)CC2)c1O ZINC001238063697 945043718 /nfs/dbraw/zinc/04/37/18/945043718.db2.gz LPWYJZREKPCCLS-UHFFFAOYSA-N 1 0 282.359 1.340 20 10 CDCDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(O)c43)C2)cn1 ZINC001261276321 946030825 /nfs/dbraw/zinc/03/08/25/946030825.db2.gz DSGAJOAWCHRJFS-DZGCQCFKSA-N 1 0 298.390 1.982 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001256020893 948162373 /nfs/dbraw/zinc/16/23/73/948162373.db2.gz RKPJQGRMCIKROA-NSHDSACASA-N 1 0 280.324 1.418 20 10 CDCDRO CCOc1ccc(N2CCN(C3CC[NH2+]CC3)CC2)cc1 ZINC001246945185 948534512 /nfs/dbraw/zinc/53/45/12/948534512.db2.gz FOKQEVOSLJCTON-UHFFFAOYSA-N 1 0 289.423 1.959 20 10 CDCDRO CCCC[C@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001252115610 951147886 /nfs/dbraw/zinc/14/78/86/951147886.db2.gz UABJIOUWFRSMEF-NSHDSACASA-N 1 0 267.325 1.421 20 10 CDCDRO Cc1cc(C)c(C[NH2+]C[C@H](O)COC(C)C)c(O)c1 ZINC001252700264 951598025 /nfs/dbraw/zinc/59/80/25/951598025.db2.gz VHYNXNSQBPTAJW-ZDUSSCGKSA-N 1 0 267.369 1.885 20 10 CDCDRO O=C([O-])C[NH+]1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC001595078829 951663060 /nfs/dbraw/zinc/66/30/60/951663060.db2.gz BLMLDNGQGMVEAK-CYBMUJFWSA-N 1 0 290.363 1.518 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C2CCCCC2)c(O)c1 ZINC001326339070 954328680 /nfs/dbraw/zinc/32/86/80/954328680.db2.gz IUYFUPNRRVRCCZ-HNNXBMFYSA-N 1 0 292.379 1.925 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)C[S@](C)=O)cc1OC ZINC001308636106 956556255 /nfs/dbraw/zinc/55/62/55/956556255.db2.gz YLNCLTQKRKCGNP-UGZDLDLSSA-N 1 0 287.381 1.266 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCC(F)CC1)[C@H](O)CO2 ZINC001332135102 957446630 /nfs/dbraw/zinc/44/66/30/957446630.db2.gz KCBRTFDJAZDZDS-CYBMUJFWSA-N 1 0 267.300 1.752 20 10 CDCDRO C[C@@H]1COCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC001318457384 958112194 /nfs/dbraw/zinc/11/21/94/958112194.db2.gz SHXKKAZKRZFDDN-LLVKDONJSA-N 1 0 284.787 1.856 20 10 CDCDRO C[C@@H]([NH3+])CN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001335382656 959760131 /nfs/dbraw/zinc/76/01/31/959760131.db2.gz PSRLZFMUXCJXPO-CYBMUJFWSA-N 1 0 294.418 1.357 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001336225980 960261676 /nfs/dbraw/zinc/26/16/76/960261676.db2.gz UWTPEXNLEGZIIE-LSDHHAIUSA-N 1 0 288.395 1.695 20 10 CDCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N)cc2)C[C@@H]1C ZINC001353539893 968056093 /nfs/dbraw/zinc/05/60/93/968056093.db2.gz PUYQRBZXEZEPJO-QWHCGFSZSA-N 1 0 290.411 1.893 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848398751 969066824 /nfs/dbraw/zinc/06/68/24/969066824.db2.gz WKZPDFPHFAVMLO-XJKSGUPXSA-N 1 0 274.364 1.740 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848426270 969085369 /nfs/dbraw/zinc/08/53/69/969085369.db2.gz BTOXSUUUROEHAL-WFASDCNBSA-N 1 0 260.337 1.398 20 10 CDCDRO CCc1cccc(C[N@H+](C)CCN2CCOCC2)c1O ZINC000848884559 969335655 /nfs/dbraw/zinc/33/56/55/969335655.db2.gz DCYUFYPBWKLDBH-UHFFFAOYSA-N 1 0 278.396 1.719 20 10 CDCDRO [NH2+]=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCCO1 ZINC000849049514 969436860 /nfs/dbraw/zinc/43/68/60/969436860.db2.gz RMXMTFZWWWUYNL-LLVKDONJSA-N 1 0 283.759 1.839 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(C(=O)[O-])ccc1O ZINC001593222556 994335135 /nfs/dbraw/zinc/33/51/35/994335135.db2.gz KYMDPROZUMLTJC-UMNHJUIQSA-N 1 0 278.352 1.868 20 10 CDCDRO CC1(C)[C@H](C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1[NH3+] ZINC001576373446 1171404931 /nfs/dbraw/zinc/40/49/31/1171404931.db2.gz UGCIUTFXPKNQOW-AAEUAGOBSA-N 1 0 260.337 1.608 20 10 CDCDRO OC[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000184195417 343172356 /nfs/dbraw/zinc/17/23/56/343172356.db2.gz QASZKMPIWIEIEZ-QGZVFWFLSA-N 1 0 290.407 1.918 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)CC(C)(CO)CO)cc1C ZINC000093502652 342429326 /nfs/dbraw/zinc/42/93/26/342429326.db2.gz AGQUWDLKYVWSHH-UHFFFAOYSA-N 1 0 267.369 1.432 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000065550039 363313595 /nfs/dbraw/zinc/31/35/95/363313595.db2.gz CLYGWSFTNSNSLF-UHFFFAOYSA-N 1 0 292.379 1.518 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000036795323 356884754 /nfs/dbraw/zinc/88/47/54/356884754.db2.gz MIRMYGNTVKUYMZ-QWRGUYRKSA-N 1 0 250.342 1.876 20 10 CDCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)CO ZINC000298546589 356887004 /nfs/dbraw/zinc/88/70/04/356887004.db2.gz YDSXPSMAUPDYEI-CYBMUJFWSA-N 1 0 293.411 1.072 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1O ZINC000179943490 357231833 /nfs/dbraw/zinc/23/18/33/357231833.db2.gz FFEBPZPATSZNJX-VIFPVBQESA-N 1 0 255.289 1.772 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000180231555 357253179 /nfs/dbraw/zinc/25/31/79/357253179.db2.gz ZPJHVNSGMOZGQU-ZDUSSCGKSA-N 1 0 294.370 1.685 20 10 CDCDRO Cc1cccc(C[N@H+]2CCN(C)C(=O)C2(C)C)c1O ZINC000180420211 357269434 /nfs/dbraw/zinc/26/94/34/357269434.db2.gz FFPIUQPRBPFHMC-UHFFFAOYSA-N 1 0 262.353 1.753 20 10 CDCDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC)c1ccc(N(C)C)cc1 ZINC000187178617 357737842 /nfs/dbraw/zinc/73/78/42/357737842.db2.gz HPTKFPSSRUOCFD-CQSZACIVSA-N 1 0 299.440 1.343 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC[C@H](C)CCO)c1 ZINC000294685976 199134427 /nfs/dbraw/zinc/13/44/27/199134427.db2.gz BLINLXFFJNFWEI-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC(C(C)(C)O)C2)cc1OC ZINC000297503344 200212490 /nfs/dbraw/zinc/21/24/90/200212490.db2.gz WHOXHTQMUITRSG-UHFFFAOYSA-N 1 0 281.352 1.612 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(F)ccc1O ZINC000530226677 361500633 /nfs/dbraw/zinc/50/06/33/361500633.db2.gz PTXZDPBLSVSORU-MWLCHTKSSA-N 1 0 254.305 1.170 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H]1C ZINC000366373667 361504412 /nfs/dbraw/zinc/50/44/12/361504412.db2.gz NABKRLBGNMHPQX-ZYHUDNBSSA-N 1 0 279.336 1.642 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CCC[NH2+]1 ZINC000178863414 364952707 /nfs/dbraw/zinc/95/27/07/364952707.db2.gz HHBYCNIWMTULBB-GFCCVEGCSA-N 1 0 289.379 1.620 20 10 CDCDRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000271284337 364979476 /nfs/dbraw/zinc/97/94/76/364979476.db2.gz OSCVJOUVWRNNGU-CYBMUJFWSA-N 1 0 298.408 1.296 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c(O)c1C ZINC000273524598 365504190 /nfs/dbraw/zinc/50/41/90/365504190.db2.gz UYCICBBZPFLJTO-WFASDCNBSA-N 1 0 265.353 1.811 20 10 CDCDRO CCOC[C@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000529666985 368087032 /nfs/dbraw/zinc/08/70/32/368087032.db2.gz PVAOAUXHQNLSPO-CQSZACIVSA-N 1 0 265.353 1.938 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(C)cc1O ZINC000530222525 368151381 /nfs/dbraw/zinc/15/13/81/368151381.db2.gz FZOPDYZHXIIFOK-TZMCWYRMSA-N 1 0 264.369 1.730 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC1([NH3+])CCC1 ZINC000170678155 368456378 /nfs/dbraw/zinc/45/63/78/368456378.db2.gz GUDZNTRTQURABE-UHFFFAOYSA-N 1 0 289.379 1.750 20 10 CDCDRO COc1cccc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1O ZINC000284289253 368509435 /nfs/dbraw/zinc/50/94/35/368509435.db2.gz IAAFJMHTLGAMLJ-QWHCGFSZSA-N 1 0 294.395 1.288 20 10 CDCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000295193007 371142910 /nfs/dbraw/zinc/14/29/10/371142910.db2.gz ODXRVXHCZKSQKX-LLVKDONJSA-N 1 0 281.375 1.896 20 10 CDCDRO CN(CC1CC[NH+](C)CC1)C(=O)c1c(F)ccc(O)c1O ZINC000295270780 371185105 /nfs/dbraw/zinc/18/51/05/371185105.db2.gz OMDDWVRYGGXGRS-UHFFFAOYSA-N 1 0 296.342 1.651 20 10 CDCDRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2O)CCS1(=O)=O ZINC000293929698 371348842 /nfs/dbraw/zinc/34/88/42/371348842.db2.gz NKVSBSNQZWMHDP-ONGXEEELSA-N 1 0 255.339 1.057 20 10 CDCDRO COc1ccc(N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000298272604 372074510 /nfs/dbraw/zinc/07/45/10/372074510.db2.gz IGPAZPOSVYKWCW-UHFFFAOYSA-N 1 0 291.395 1.296 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000298350994 372086160 /nfs/dbraw/zinc/08/61/60/372086160.db2.gz ONSFCMVJEFLZKQ-UHFFFAOYSA-N 1 0 290.411 1.600 20 10 CDCDRO CCCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109771007 390648371 /nfs/dbraw/zinc/64/83/71/390648371.db2.gz PDBPPXNMOVKMKR-UHFFFAOYSA-N 1 0 250.342 1.740 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297861583 390671436 /nfs/dbraw/zinc/67/14/36/390671436.db2.gz UCSSRLKKWUBTCM-NEPJUHHUSA-N 1 0 251.326 1.367 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000131002818 390868884 /nfs/dbraw/zinc/86/88/84/390868884.db2.gz PVGKBRIJOXPROF-JEOXALJRSA-N 1 0 285.409 1.990 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)CSC)c1 ZINC000120616477 390873886 /nfs/dbraw/zinc/87/38/86/390873886.db2.gz NSXDLYRLUOQKFB-CQSZACIVSA-N 1 0 285.409 1.995 20 10 CDCDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000293949675 390889810 /nfs/dbraw/zinc/88/98/10/390889810.db2.gz SAUZZKQVMDXOOV-OAHLLOKOSA-N 1 0 276.336 1.266 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000093809038 390904385 /nfs/dbraw/zinc/90/43/85/390904385.db2.gz OEJSVRAEYUELGE-NSHDSACASA-N 1 0 278.352 1.488 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093813876 390904892 /nfs/dbraw/zinc/90/48/92/390904892.db2.gz BNWNWIQVENNDJZ-OAHLLOKOSA-N 1 0 279.336 1.786 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000164756117 391289689 /nfs/dbraw/zinc/28/96/89/391289689.db2.gz QVKRTKZHAAWKGX-APPDUMDISA-N 1 0 255.383 1.947 20 10 CDCDRO CN(C)c1ccc(CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000302056734 391292858 /nfs/dbraw/zinc/29/28/58/391292858.db2.gz ZSCTUDFTSQKBHT-UHFFFAOYSA-N 1 0 270.336 1.859 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000649347751 392083212 /nfs/dbraw/zinc/08/32/12/392083212.db2.gz XZAVWATZENZDNL-GFCCVEGCSA-N 1 0 275.352 1.230 20 10 CDCDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccccc1O ZINC000287170550 392085248 /nfs/dbraw/zinc/08/52/48/392085248.db2.gz CBQCIOGTBDOKDB-LLVKDONJSA-N 1 0 253.342 1.830 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000135756989 393309781 /nfs/dbraw/zinc/30/97/81/393309781.db2.gz AWEAIESMLAXUIM-UHFFFAOYSA-N 1 0 292.379 1.893 20 10 CDCDRO Cc1c2ccccc2n(C)c1CNC(=O)C[NH+](C)C ZINC000352126783 228185545 /nfs/dbraw/zinc/18/55/45/228185545.db2.gz XCXPXSIUZKRKQD-UHFFFAOYSA-N 1 0 259.353 1.665 20 10 CDCDRO C[NH+](C)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179214314 261772597 /nfs/dbraw/zinc/77/25/97/261772597.db2.gz VBZWVHAQKJAFKJ-UHFFFAOYSA-N 1 0 290.411 1.648 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529668019 281350978 /nfs/dbraw/zinc/35/09/78/281350978.db2.gz DQNYRCPTIFINQA-IYBDPMFKSA-N 1 0 279.380 1.513 20 10 CDCDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236965212 328003910 /nfs/dbraw/zinc/00/39/10/328003910.db2.gz ZLHGPKWTVXBPOI-GFCCVEGCSA-N 1 0 267.348 1.635 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1 ZINC000282690630 328243252 /nfs/dbraw/zinc/24/32/52/328243252.db2.gz KGGVCYHHHXCTJN-MNOVXSKESA-N 1 0 268.332 1.825 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1O ZINC000187569343 329359219 /nfs/dbraw/zinc/35/92/19/329359219.db2.gz UOECOFYSRYGQQA-GHMZBOCLSA-N 1 0 285.727 1.154 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000269002692 330065782 /nfs/dbraw/zinc/06/57/82/330065782.db2.gz LYEGADUUXLIYQH-LBPRGKRZSA-N 1 0 275.396 1.683 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1Cl ZINC001231868748 1161015855 /nfs/dbraw/zinc/01/58/55/1161015855.db2.gz XMBCTABZPVCLMU-ZWNOBZJWSA-N 1 0 271.744 1.139 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@H]1OC ZINC000252838247 520429738 /nfs/dbraw/zinc/42/97/38/520429738.db2.gz BLSVNOCUBCEFNF-IACUBPJLSA-N 1 0 251.326 1.674 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1O ZINC000157128248 521346341 /nfs/dbraw/zinc/34/63/41/521346341.db2.gz KKXVKQZJSKDKCI-NSHDSACASA-N 1 0 264.325 1.098 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(C)cc1O ZINC000280130285 522634790 /nfs/dbraw/zinc/63/47/90/522634790.db2.gz OXYUAJPUBJPOIO-HOCLYGCPSA-N 1 0 291.439 1.987 20 10 CDCDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)[C@@H]1CCCO1 ZINC000279386535 522750099 /nfs/dbraw/zinc/75/00/99/522750099.db2.gz 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/nfs/dbraw/zinc/09/78/61/575097861.db2.gz QRPOICDZFXOANI-UHFFFAOYSA-N 1 0 256.371 1.915 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733325416 575114618 /nfs/dbraw/zinc/11/46/18/575114618.db2.gz HNXROJRJZIKSNT-UHFFFAOYSA-N 1 0 281.375 1.850 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH+](CCCCO)CC2)cc1 ZINC000769398694 575357227 /nfs/dbraw/zinc/35/72/27/575357227.db2.gz VHTMVWJHWPAKBZ-UHFFFAOYSA-N 1 0 291.439 1.643 20 10 CDCDRO COCC(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000768885138 576316002 /nfs/dbraw/zinc/31/60/02/576316002.db2.gz UFQGAOXNJFDKJS-UHFFFAOYSA-N 1 0 292.379 1.428 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC000769245727 576339678 /nfs/dbraw/zinc/33/96/78/576339678.db2.gz VHSLCPNKZCFGGX-NSHDSACASA-N 1 0 251.326 1.605 20 10 CDCDRO CCOc1ccc(CN(CCOC)CC(=O)OC)c(O)c1 ZINC000769421991 576353012 /nfs/dbraw/zinc/35/30/12/576353012.db2.gz DODPKSZVDBNYSL-UHFFFAOYSA-N 1 0 297.351 1.412 20 10 CDCDRO CN(Cc1cncn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221258 576560647 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C[C@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1O ZINC000892097863 617480090 /nfs/dbraw/zinc/48/00/90/617480090.db2.gz SRTNHQPRVBWKAO-WOPDTQHZSA-N 1 0 277.368 1.893 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000841653214 617541566 /nfs/dbraw/zinc/54/15/66/617541566.db2.gz IDIOUMDWLUNMFZ-CYBMUJFWSA-N 1 0 276.384 1.304 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1O ZINC000892199308 617546106 /nfs/dbraw/zinc/54/61/06/617546106.db2.gz MCNNFESQXSANSE-GARJFASQSA-N 1 0 265.357 1.878 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCCC(C)(C)[NH3+])c1 ZINC000892860619 617836074 /nfs/dbraw/zinc/83/60/74/617836074.db2.gz JRWWHSLBCKDNEQ-SNVBAGLBSA-N 1 0 295.383 1.888 20 10 CDCDRO COc1ccc(C[NH2+]CC(=O)NCC2CC2)c(O)c1OC ZINC000893400476 617819644 /nfs/dbraw/zinc/81/96/44/617819644.db2.gz DSOAQCHRGZRTHZ-UHFFFAOYSA-N 1 0 294.351 1.025 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(O)c1OC ZINC000893712256 617930170 /nfs/dbraw/zinc/93/01/70/617930170.db2.gz 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CC[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001170171936 1162298790 /nfs/dbraw/zinc/29/87/90/1162298790.db2.gz WSIZVQMDSJRUJZ-XUJVJEKNSA-N 1 0 281.352 1.678 20 10 CDCDRO COc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c(O)c1 ZINC000792920323 1162378460 /nfs/dbraw/zinc/37/84/60/1162378460.db2.gz UUKWEAQLWBEYHS-GFCCVEGCSA-N 1 0 293.367 1.294 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001170518473 1162737020 /nfs/dbraw/zinc/73/70/20/1162737020.db2.gz SYVNRMRHHLAIAM-MNOVXSKESA-N 1 0 265.309 1.529 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001604338463 1163155890 /nfs/dbraw/zinc/15/58/90/1163155890.db2.gz OKXNQVKLCZSEEH-PWSUYJOCSA-N 1 0 294.351 1.120 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000866489827 1164787316 /nfs/dbraw/zinc/78/73/16/1164787316.db2.gz WRAMTCBTUZZEDJ-DLOVCJGASA-N 1 0 251.326 1.965 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)CCO)cc1Cn1cccn1 ZINC000873057470 1165508492 /nfs/dbraw/zinc/50/84/92/1165508492.db2.gz SCLXSGULRRFDFX-CYBMUJFWSA-N 1 0 289.379 1.801 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825773735 1165712758 /nfs/dbraw/zinc/71/27/58/1165712758.db2.gz OOMXLDYUMBVMPW-LLVKDONJSA-N 1 0 273.760 1.841 20 10 CDCDRO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(N)cc1 ZINC000876503883 1165856983 /nfs/dbraw/zinc/85/69/83/1165856983.db2.gz GMYBGKSNWCFRNZ-CQSZACIVSA-N 1 0 299.378 1.951 20 10 CDCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)NC(C)C)c(O)c1 ZINC000877021542 1165960052 /nfs/dbraw/zinc/96/00/52/1165960052.db2.gz UUHOZCACOGANNZ-UHFFFAOYSA-N 1 0 286.397 1.118 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H](O)C2CCOCC2)c(O)c1 ZINC000877044355 1165965094 /nfs/dbraw/zinc/96/50/94/1165965094.db2.gz ZLOOIHFFTIBJDK-OAHLLOKOSA-N 1 0 265.353 1.578 20 10 CDCDRO C[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877071200 1165969512 /nfs/dbraw/zinc/96/95/12/1165969512.db2.gz GYHGHMYOTQNBRY-LBPRGKRZSA-N 1 0 264.369 1.118 20 10 CDCDRO COCCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001154028267 1166038405 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ZINC001577939702 1171775090 /nfs/dbraw/zinc/77/50/90/1171775090.db2.gz PEAYXCBNKOQIIW-UHFFFAOYSA-N 1 0 283.368 1.636 20 10 CDCDRO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1(C[NH3+])CCC1 ZINC001578391036 1171894421 /nfs/dbraw/zinc/89/44/21/1171894421.db2.gz ZGVNGAIUCXSLJV-UHFFFAOYSA-N 1 0 289.339 1.802 20 10 CDCDRO Cc1cncc(N(Cc2ncc[nH]2)C(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC001579824893 1172274261 /nfs/dbraw/zinc/27/42/61/1172274261.db2.gz MMHGMPKDWQXHOZ-ZDUSSCGKSA-N 1 0 297.362 1.694 20 10 CDCDRO CC(C)[NH+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588404346 895833990 /nfs/dbraw/zinc/83/39/90/895833990.db2.gz LUQKBIZMDFLUDH-XQRVVYSFSA-N 1 0 290.363 1.664 20 10 CDCDRO C[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000588405198 895842159 /nfs/dbraw/zinc/84/21/59/895842159.db2.gz XVSWKNUODROATJ-SCXUMTSISA-N 1 0 290.363 1.569 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(O)c(C(=O)N2CC[NH2+]C2)c1 ZINC001161418453 898465098 /nfs/dbraw/zinc/46/50/98/898465098.db2.gz AHOJKAQKCPPICU-UHFFFAOYSA-N 1 0 285.347 1.803 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143998 899788816 /nfs/dbraw/zinc/78/88/16/899788816.db2.gz RLHJKOOLUIPJSQ-UHFFFAOYSA-N 1 0 292.379 1.900 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922096850 921272451 /nfs/dbraw/zinc/27/24/51/921272451.db2.gz MKWGEJBNCWWNMR-AWEZNQCLSA-N 1 0 265.353 1.499 20 10 CDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(O)c(O)c1 ZINC001271832691 906873567 /nfs/dbraw/zinc/87/35/67/906873567.db2.gz BXWJXFTZFUXXJB-BETUJISGSA-N 1 0 290.363 1.335 20 10 CDCDRO COCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000697454135 907755658 /nfs/dbraw/zinc/75/56/58/907755658.db2.gz UAJMWDUQWASLSU-UHFFFAOYSA-N 1 0 276.380 1.792 20 10 CDCDRO COC(=O)C1C[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139669568 936319253 /nfs/dbraw/zinc/31/92/53/936319253.db2.gz BCJXDSLYEROIEZ-UHFFFAOYSA-N 1 0 262.353 1.666 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC001179849324 916011545 /nfs/dbraw/zinc/01/15/45/916011545.db2.gz CUFNAGRQORFYEJ-NSHDSACASA-N 1 0 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FGNHOIHJZZPEIY-UHFFFAOYSA-N 1 0 286.320 1.296 20 10 CDCDRO Oc1ccccc1C[NH+]1C[C@@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001203552195 919341516 /nfs/dbraw/zinc/34/15/16/919341516.db2.gz DMWYJOPBRIBHMM-HUUCEWRRSA-N 1 0 296.374 1.750 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC(C)(C[NH3+])C1 ZINC001206729459 936577822 /nfs/dbraw/zinc/57/78/22/936577822.db2.gz GSRGKPVJTKNNDE-UHFFFAOYSA-N 1 0 263.385 1.542 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)cc1 ZINC001272917660 920033557 /nfs/dbraw/zinc/03/35/57/920033557.db2.gz ZLKHRUYOLLCFEP-KRWDZBQOSA-N 1 0 287.407 1.807 20 10 CDCDRO Cc1cc(C[NH+]2CC(C(=O)N(C)C)C2)ccc1N(C)C ZINC001139672669 936634478 /nfs/dbraw/zinc/63/44/78/936634478.db2.gz AGFFUGDRSOGPAE-UHFFFAOYSA-N 1 0 275.396 1.581 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](C)(CO)C2)c1 ZINC001203669983 920681583 /nfs/dbraw/zinc/68/15/83/920681583.db2.gz JKSSSEMPGOHJLA-CQSZACIVSA-N 1 0 251.326 1.605 20 10 CDCDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]21 ZINC001140058824 936675020 /nfs/dbraw/zinc/67/50/20/936675020.db2.gz NFXVNDWEMQKCIG-GXFFZTMASA-N 1 0 250.317 1.667 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC3(C2)CCN(C)C3=O)c1O ZINC001140184992 936685333 /nfs/dbraw/zinc/68/53/33/936685333.db2.gz NJZMFTMCMPLMKP-UHFFFAOYSA-N 1 0 274.364 1.673 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001140338053 936702900 /nfs/dbraw/zinc/70/29/00/936702900.db2.gz SSHPSJYATMCNTC-ZIAGYGMSSA-N 1 0 285.771 1.611 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC001140742213 936748106 /nfs/dbraw/zinc/74/81/06/936748106.db2.gz KKFJFQUKWKXDLG-CYBMUJFWSA-N 1 0 255.289 1.313 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCc3nn(C)cc3C2)c1O ZINC001140745514 936749203 /nfs/dbraw/zinc/74/92/03/936749203.db2.gz JIZZRHNQNAFKSA-UHFFFAOYSA-N 1 0 273.336 1.698 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC001140749283 936749518 /nfs/dbraw/zinc/74/95/18/936749518.db2.gz VMAQLXPNQDYQMW-CYBMUJFWSA-N 1 0 288.351 1.835 20 10 CDCDRO Cc1ccc(C[NH+]2CC(N(C)C3COC3)C2)c(O)c1 ZINC001140950893 936783311 /nfs/dbraw/zinc/78/33/11/936783311.db2.gz NQDFMKQWZZMVIF-UHFFFAOYSA-N 1 0 262.353 1.215 20 10 CDCDRO C[NH+](C)C[C@@H]1CCCN1Cc1cc(O)ccc1O ZINC001141159191 936821975 /nfs/dbraw/zinc/82/19/75/936821975.db2.gz BOZKFLOVMODHEE-LBPRGKRZSA-N 1 0 250.342 1.624 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4OCC[C@H]43)ccc21 ZINC001141140219 936819031 /nfs/dbraw/zinc/81/90/31/936819031.db2.gz JGDOAFFNLDZXIF-HUUCEWRRSA-N 1 0 274.364 1.878 20 10 CDCDRO COc1cc(C(=O)N(C)CC[NH+]2CCCC2)cc(O)c1O ZINC001193098981 923441631 /nfs/dbraw/zinc/44/16/31/923441631.db2.gz YRNPITKKMXIPPU-UHFFFAOYSA-N 1 0 294.351 1.274 20 10 CDCDRO CC(C)(C)c1cccc(C[NH+]2CC(C(N)=O)C2)c1O ZINC001143112475 937121483 /nfs/dbraw/zinc/12/14/83/937121483.db2.gz RVRRSAYCPDWPPK-UHFFFAOYSA-N 1 0 262.353 1.607 20 10 CDCDRO CC(=O)N1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169560479 928175841 /nfs/dbraw/zinc/17/58/41/928175841.db2.gz NQVARPJEGFGRMQ-CQSZACIVSA-N 1 0 290.363 1.467 20 10 CDCDRO CC(=O)N1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001169576034 928195695 /nfs/dbraw/zinc/19/56/95/928195695.db2.gz GVOQGTQPZJEKOZ-CYBMUJFWSA-N 1 0 278.352 1.241 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)CC(=O)NC)c1O ZINC000691460037 928879637 /nfs/dbraw/zinc/87/96/37/928879637.db2.gz PCPZDIVZINHNGL-SNVBAGLBSA-N 1 0 250.342 1.569 20 10 CDCDRO OCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691394882 931464095 /nfs/dbraw/zinc/46/40/95/931464095.db2.gz HTLBDNQYXOFSJQ-UHFFFAOYSA-N 1 0 260.131 1.627 20 10 CDCDRO CCC1(O)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514737 931876647 /nfs/dbraw/zinc/87/66/47/931876647.db2.gz QHHWCRCJICWYLR-UHFFFAOYSA-N 1 0 267.325 1.540 20 10 CDCDRO CO[C@H](C)C1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516077 931880774 /nfs/dbraw/zinc/88/07/74/931880774.db2.gz ORJVYAPZZRJMIF-MRVPVSSYSA-N 1 0 253.298 1.270 20 10 CDCDRO C[N@H+](C1CN(Cc2cccc(F)c2O)C1)[C@@H]1CCOC1 ZINC001138128405 932459453 /nfs/dbraw/zinc/45/94/53/932459453.db2.gz HZPUXPSXJHYCGT-GFCCVEGCSA-N 1 0 280.343 1.436 20 10 CDCDRO [NH3+]CCN(C(=O)c1cccc(O)c1O)c1ccc(F)cc1 ZINC001148224498 932672442 /nfs/dbraw/zinc/67/24/42/932672442.db2.gz NGGITRPRGGLPHX-UHFFFAOYSA-N 1 0 290.294 1.842 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC001118866559 937673576 /nfs/dbraw/zinc/67/35/76/937673576.db2.gz ZKTYLNVPKDJFLH-HZSPNIEDSA-N 1 0 290.407 1.905 20 10 CDCDRO CC(C)C[C@H]([NH3+])CC(=O)NCc1ccccc1O ZINC001122029258 937900848 /nfs/dbraw/zinc/90/08/48/937900848.db2.gz VZGVNXVXBHFRLR-LBPRGKRZSA-N 1 0 250.342 1.772 20 10 CDCDRO [NH3+][C@@H]1Cc2ccccc2N(c2nccc3c2NC(=O)C3)C1 ZINC001162843087 939151625 /nfs/dbraw/zinc/15/16/25/939151625.db2.gz BBBNYPIJCZKSIW-GFCCVEGCSA-N 1 0 280.331 1.598 20 10 CDCDRO Oc1cnc(N2CC[NH+](Cc3ccccc3O)CC2)nc1 ZINC001203561369 939693173 /nfs/dbraw/zinc/69/31/73/939693173.db2.gz SRQRJIPYIFARNB-UHFFFAOYSA-N 1 0 286.335 1.210 20 10 CDCDRO C[NH+](C)C[C@@H]1COCCN1Cc1ccccc1O ZINC001203558633 939693560 /nfs/dbraw/zinc/69/35/60/939693560.db2.gz RHINLRINIQKVPV-CYBMUJFWSA-N 1 0 250.342 1.155 20 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DLKXTXAHWRGRBU-CMPLNLGQSA-N 1 0 279.336 1.729 20 10 CDCDRO COc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)cc1O ZINC001205190388 939833577 /nfs/dbraw/zinc/83/35/77/939833577.db2.gz OGPXTQJMFHEHOH-PSASIEDQSA-N 1 0 252.314 1.028 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001205973455 939963225 /nfs/dbraw/zinc/96/32/25/939963225.db2.gz UAAXFIBCXWQVQN-ZYHUDNBSSA-N 1 0 274.723 1.079 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)cc1 ZINC001206117473 939982462 /nfs/dbraw/zinc/98/24/62/939982462.db2.gz PDOAOCLREBNOLR-LBPRGKRZSA-N 1 0 269.339 1.921 20 10 CDCDRO C[C@H](Cc1cccnc1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258611229 945357639 /nfs/dbraw/zinc/35/76/39/945357639.db2.gz GZELFMVUKDOHQL-LLVKDONJSA-N 1 0 288.347 1.962 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCN2CCCC2=O)c1 ZINC000405341716 940984111 /nfs/dbraw/zinc/98/41/11/940984111.db2.gz OYFKTCIIDJTQOF-UHFFFAOYSA-N 1 0 264.325 1.113 20 10 CDCDRO c1ccn2c(c1)nnc2CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000315477781 941451884 /nfs/dbraw/zinc/45/18/84/941451884.db2.gz PNKAPESABICQLC-UHFFFAOYSA-N 1 0 294.358 1.997 20 10 CDCDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(O)c(O)c1Cl ZINC001220894392 941483547 /nfs/dbraw/zinc/48/35/47/941483547.db2.gz DINBNNPQTZRXRA-SSDOTTSWSA-N 1 0 270.716 1.233 20 10 CDCDRO [O-]c1c(F)cccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091040 941562494 /nfs/dbraw/zinc/56/24/94/941562494.db2.gz NEWWWNJIYMDQJX-UHFFFAOYSA-N 1 0 279.359 1.059 20 10 CDCDRO C[NH2+][C@@]12CC[C@@](NCc3cc(O)c(O)c(O)c3)(C1)CCC2 ZINC001276830625 941604128 /nfs/dbraw/zinc/60/41/28/941604128.db2.gz QKYWJNFXOBLHST-JKSUJKDBSA-N 1 0 292.379 1.958 20 10 CDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(c1ccc3c(c1)OCCO3)C2 ZINC001277014906 941816383 /nfs/dbraw/zinc/81/63/83/941816383.db2.gz YDZRTRZYDZYXCE-YPMHNXCESA-N 1 0 260.337 1.598 20 10 CDCDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H](O)CO ZINC001231587306 942935470 /nfs/dbraw/zinc/93/54/70/942935470.db2.gz UDQPIJGKCARIRX-LBPRGKRZSA-N 1 0 261.321 1.330 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@H](O)C2)c(O)cc1O ZINC001231634437 942949878 /nfs/dbraw/zinc/94/98/78/942949878.db2.gz MZHOUHPJRASKDB-NSHDSACASA-N 1 0 267.325 1.453 20 10 CDCDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)c(O)cc1O ZINC001231634849 942950321 /nfs/dbraw/zinc/95/03/21/942950321.db2.gz BYYZMKCRKOLMAB-LBPRGKRZSA-N 1 0 280.368 1.632 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c(O)cc1O ZINC001231635420 942952280 /nfs/dbraw/zinc/95/22/80/942952280.db2.gz YNYIPRXRXVZQEF-CMPLNLGQSA-N 1 0 281.352 1.699 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC001231845674 943025634 /nfs/dbraw/zinc/02/56/34/943025634.db2.gz PTPLBEUNCFGSJX-UHFFFAOYSA-N 1 0 262.353 1.673 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1 ZINC001231843392 943026323 /nfs/dbraw/zinc/02/63/23/943026323.db2.gz XPIJQIAMICQMKG-OAHLLOKOSA-N 1 0 265.353 1.592 20 10 CDCDRO COC(=O)c1c(C[N@@H+]2CC[C@@H](O)C2)c2ccccc2n1C ZINC001232401915 943256167 /nfs/dbraw/zinc/25/61/67/943256167.db2.gz GVFFYGPRMSYWQL-LLVKDONJSA-N 1 0 288.347 1.532 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC001232834064 943412372 /nfs/dbraw/zinc/41/23/72/943412372.db2.gz FSZGKHNKUHZPHM-ZDUSSCGKSA-N 1 0 250.342 1.415 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c(O)c1 ZINC001232839653 943415349 /nfs/dbraw/zinc/41/53/49/943415349.db2.gz SMJNLCXOEXTFDV-UHFFFAOYSA-N 1 0 291.395 1.546 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)c(O)c1 ZINC001232841188 943416950 /nfs/dbraw/zinc/41/69/50/943416950.db2.gz XGFYNHWAYGFBFR-CJNGLKHVSA-N 1 0 289.423 1.984 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@]1(C)O ZINC001233010377 943460389 /nfs/dbraw/zinc/46/03/89/943460389.db2.gz QEJVGKKRSPPEOP-BONVTDFDSA-N 1 0 281.352 1.786 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@H]1O ZINC001233010345 943460598 /nfs/dbraw/zinc/46/05/98/943460598.db2.gz PGAHTVKMHCCZHK-MWLCHTKSSA-N 1 0 267.325 1.396 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1O ZINC001233482733 943590456 /nfs/dbraw/zinc/59/04/56/943590456.db2.gz AFWWZGAXSZKTFK-PSASIEDQSA-N 1 0 253.298 1.006 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1O ZINC001233482411 943591454 /nfs/dbraw/zinc/59/14/54/943591454.db2.gz MQDBGEPOWJYDKO-ZUZCIYMTSA-N 1 0 279.336 1.804 20 10 CDCDRO CN(CCC[NH+]1CCCC1)Cc1cc(O)c(O)cc1O ZINC001233485119 943592061 /nfs/dbraw/zinc/59/20/61/943592061.db2.gz JGUPPDXKSPTNAD-UHFFFAOYSA-N 1 0 280.368 1.721 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@](O)(CF)C2)cc1O ZINC001233483337 943592950 /nfs/dbraw/zinc/59/29/50/943592950.db2.gz WHJUCSKVXJFNIK-AWEZNQCLSA-N 1 0 285.315 1.490 20 10 CDCDRO Cc1cc(CN2CC[C@H]3C[C@@]3([NH3+])C2)ccc1N(C)C ZINC001235157337 944074420 /nfs/dbraw/zinc/07/44/20/944074420.db2.gz CUFZTQRDTZZDSJ-GOEBONIOSA-N 1 0 259.397 1.984 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001235674042 944240615 /nfs/dbraw/zinc/24/06/15/944240615.db2.gz CTKVQTFZRWYVIH-SWLSCSKDSA-N 1 0 279.380 1.475 20 10 CDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC001235990658 944355676 /nfs/dbraw/zinc/35/56/76/944355676.db2.gz KLSVDTCGSWCFDV-ZANVPECISA-N 1 0 252.745 1.969 20 10 CDCDRO CN1CCCc2cc(CN3C[C@@H]4C[NH2+]C[C@H]43)ccc21 ZINC001236286843 944446363 /nfs/dbraw/zinc/44/63/63/944446363.db2.gz LUJRIOZRURGCRJ-GOEBONIOSA-N 1 0 257.381 1.473 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001236783064 944566372 /nfs/dbraw/zinc/56/63/72/944566372.db2.gz HQJMLHYDSGECDL-HOTGVXAUSA-N 1 0 279.380 1.520 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC001236811603 944575576 /nfs/dbraw/zinc/57/55/76/944575576.db2.gz SHENTDOPMWKSNB-LLVKDONJSA-N 1 0 292.335 1.346 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001236811639 944575823 /nfs/dbraw/zinc/57/58/23/944575823.db2.gz UMKHKFYFMDVFFL-XHDPSFHLSA-N 1 0 263.337 1.930 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC001237048910 944645809 /nfs/dbraw/zinc/64/58/09/944645809.db2.gz ZSLQFFLGGORVQI-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO CCOc1ccc(C[N@H+]2CCc3nncn3CC2)c(O)c1 ZINC001237050826 944646991 /nfs/dbraw/zinc/64/69/91/944646991.db2.gz XUGCRCWUEWQUHW-UHFFFAOYSA-N 1 0 288.351 1.441 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001237122580 944660678 /nfs/dbraw/zinc/66/06/78/944660678.db2.gz WFXCIYFOCBVACD-WRWORJQWSA-N 1 0 259.708 1.997 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001237487783 944808696 /nfs/dbraw/zinc/80/86/96/944808696.db2.gz NCIOSINNICTLLT-UHFFFAOYSA-N 1 0 283.393 1.710 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(CCCO)CC1 ZINC001237485497 944809705 /nfs/dbraw/zinc/80/97/05/944809705.db2.gz PSSXXAPDHQOOJP-UHFFFAOYSA-N 1 0 264.369 1.201 20 10 CDCDRO COc1cc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c(OC)c1 ZINC001237675087 944919517 /nfs/dbraw/zinc/91/95/17/944919517.db2.gz SLEGJARNCJBFET-OKILXGFUSA-N 1 0 297.351 1.255 20 10 CDCDRO CCOC(=O)Cn1ccc2c1ncnc2C1=CCC[NH2+]C1 ZINC001240653314 945974498 /nfs/dbraw/zinc/97/44/98/945974498.db2.gz SRKFGQWSLSTXHI-UHFFFAOYSA-N 1 0 286.335 1.371 20 10 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CCOc1cccc(C[NH2+]CCCC(=O)NC2CC2)c1O ZINC000112017150 365853557 /nfs/dbraw/zinc/85/35/57/365853557.db2.gz CTTAWAFQSWXYLR-UHFFFAOYSA-N 1 0 292.379 1.939 20 10 CDCDRO CCC[N@H+](CCn1cncn1)Cc1ccccc1O ZINC000068973515 349086237 /nfs/dbraw/zinc/08/62/37/349086237.db2.gz VIAHAECVFKSRPD-UHFFFAOYSA-N 1 0 260.341 1.896 20 10 CDCDRO COc1ccc(N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000032113701 356125014 /nfs/dbraw/zinc/12/50/14/356125014.db2.gz CQUPPAJOIDMJBD-UHFFFAOYSA-N 1 0 264.369 1.588 20 10 CDCDRO COc1cc(O)c(C[N@@H+](CC(N)=O)CC(C)C)cc1OC ZINC000179731935 357222867 /nfs/dbraw/zinc/22/28/67/357222867.db2.gz UAUYFQDLEZBPPH-UHFFFAOYSA-N 1 0 296.367 1.353 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cc(OC)c(OC)cc1O ZINC000179827208 357225817 /nfs/dbraw/zinc/22/58/17/357225817.db2.gz NSQZNHROWXVEPC-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(F)ccc1O ZINC000180213019 357252457 /nfs/dbraw/zinc/25/24/57/357252457.db2.gz ABWYGCPRILVUFA-UHFFFAOYSA-N 1 0 254.305 1.489 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000180259662 357256101 /nfs/dbraw/zinc/25/61/01/357256101.db2.gz LHERABFFINPTAN-VXGBXAGGSA-N 1 0 285.409 1.954 20 10 CDCDRO CCN1CCCN(Cc2cc3c(cc2O)OCO3)CC1=O ZINC000189203831 357981931 /nfs/dbraw/zinc/98/19/31/357981931.db2.gz WEJWDZCJZHVRDM-UHFFFAOYSA-N 1 0 292.335 1.175 20 10 CDCDRO CCOc1cccc(C[NH2+]CCN2CCC(O)CC2)c1O ZINC000294864200 199220268 /nfs/dbraw/zinc/22/02/68/199220268.db2.gz ONMOEDNZVGONGC-UHFFFAOYSA-N 1 0 294.395 1.337 20 10 CDCDRO CNC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232896 359195371 /nfs/dbraw/zinc/19/53/71/359195371.db2.gz NJFWSFXJWNQDBF-CQSZACIVSA-N 1 0 292.379 1.509 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297823355 200286455 /nfs/dbraw/zinc/28/64/55/200286455.db2.gz RLNAPYRXOLTZEF-IUODEOHRSA-N 1 0 265.353 1.757 20 10 CDCDRO CC[N@H+](CCCO)Cc1cc2c(cc1O)OCO2 ZINC000271162737 364951917 /nfs/dbraw/zinc/95/19/17/364951917.db2.gz BAOQJCGAGFGRQY-UHFFFAOYSA-N 1 0 253.298 1.325 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000168191316 364968623 /nfs/dbraw/zinc/96/86/23/364968623.db2.gz YNDLLXRSCJYQTN-VVVCHXIZSA-N 1 0 257.355 1.257 20 10 CDCDRO C[N@H+](CCc1cnccn1)Cc1cc2c(cc1O)OCO2 ZINC000271295307 364979396 /nfs/dbraw/zinc/97/93/96/364979396.db2.gz UNTVTNMJLFCIAS-UHFFFAOYSA-N 1 0 287.319 1.585 20 10 CDCDRO CNC(=O)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271828953 365000436 /nfs/dbraw/zinc/00/04/36/365000436.db2.gz OMIXEZCODFNIDA-UHFFFAOYSA-N 1 0 283.759 1.503 20 10 CDCDRO CNC(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000271841740 365001438 /nfs/dbraw/zinc/00/14/38/365001438.db2.gz QFVDBVZKBGKECG-UHFFFAOYSA-N 1 0 263.341 1.158 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000272830984 365414937 /nfs/dbraw/zinc/41/49/37/365414937.db2.gz HWTBDOWGEPSCBE-QWHCGFSZSA-N 1 0 264.369 1.764 20 10 CDCDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N(C)C)cc1 ZINC000183640935 365486338 /nfs/dbraw/zinc/48/63/38/365486338.db2.gz JDTLTOOZUZJFQR-LLVKDONJSA-N 1 0 263.385 1.915 20 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FOZHBGDDIRMHIB-LSDHHAIUSA-N 1 0 290.407 1.816 20 10 CDCDRO C[C@H]([NH2+]CCCOCCO)c1cc(F)ccc1O ZINC000186514590 378851209 /nfs/dbraw/zinc/85/12/09/378851209.db2.gz HPQLQOURCLZFLW-JTQLQIEISA-N 1 0 257.305 1.581 20 10 CDCDRO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109771314 390648067 /nfs/dbraw/zinc/64/80/67/390648067.db2.gz CAYLYHCIZPBIBG-LLVKDONJSA-N 1 0 293.367 1.447 20 10 CDCDRO COc1ccc(N(C)CCCN2CCOCC2)c(OC)c1 ZINC000131783304 390929724 /nfs/dbraw/zinc/92/97/24/390929724.db2.gz HXWWIOQQVIAIIQ-UHFFFAOYSA-N 1 0 294.395 1.862 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@](O)(C3CC3)C1)OCO2 ZINC000373321466 391115223 /nfs/dbraw/zinc/11/52/23/391115223.db2.gz SKCVRAKEGMQGTI-HNNXBMFYSA-N 1 0 277.320 1.468 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000179372514 391202698 /nfs/dbraw/zinc/20/26/98/391202698.db2.gz OAUUGABALMVYIU-ZDUSSCGKSA-N 1 0 293.363 1.986 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1O ZINC000179531168 391209275 /nfs/dbraw/zinc/20/92/75/391209275.db2.gz HRCQJTGAVACQKE-NEPJUHHUSA-N 1 0 290.363 1.715 20 10 CDCDRO COCC1(O)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000270314634 391270360 /nfs/dbraw/zinc/27/03/60/391270360.db2.gz ZYALHNVBLMEDFD-UHFFFAOYSA-N 1 0 279.380 1.982 20 10 CDCDRO C[N@H+](CCCO)C1CCN(Cc2ccccc2O)CC1 ZINC000271357529 391293847 /nfs/dbraw/zinc/29/38/47/391293847.db2.gz MOGMZMIFSXQULD-UHFFFAOYSA-N 1 0 278.396 1.671 20 10 CDCDRO C[C@H]([NH3+])CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000193322955 391336024 /nfs/dbraw/zinc/33/60/24/391336024.db2.gz AIJDLJHTBKKHME-NSHDSACASA-N 1 0 277.368 1.605 20 10 CDCDRO Oc1ccccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000361053450 391678693 /nfs/dbraw/zinc/67/86/93/391678693.db2.gz RKPNMZZNCDQSKM-HOCLYGCPSA-N 1 0 276.380 1.423 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000038083085 174092536 /nfs/dbraw/zinc/09/25/36/174092536.db2.gz WBJCQHBRPRVNAX-VXGBXAGGSA-N 1 0 283.393 1.786 20 10 CDCDRO CCCOc1ccc(C[NH+]2CCC(C(N)=O)CC2)c(O)c1 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CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1O ZINC000278565125 328227467 /nfs/dbraw/zinc/22/74/67/328227467.db2.gz BTEGMXPVDCWUAG-CABZTGNLSA-N 1 0 296.323 1.512 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(F)ccc1O ZINC000280900054 328236788 /nfs/dbraw/zinc/23/67/88/328236788.db2.gz PROYVQQRHZGBOH-SRVKXCTJSA-N 1 0 283.343 1.827 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377698884 329025570 /nfs/dbraw/zinc/02/55/70/329025570.db2.gz MXCOFCSOJJRKHZ-UKRRQHHQSA-N 1 0 263.337 1.772 20 10 CDCDRO CCn1nncc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000527921285 330295789 /nfs/dbraw/zinc/29/57/89/330295789.db2.gz WEURCFPMRQTUKW-VIFPVBQESA-N 1 0 264.304 1.994 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)N1CCCC1 ZINC000134490206 334092084 /nfs/dbraw/zinc/09/20/84/334092084.db2.gz LTOSNORGOCJOJE-LBPRGKRZSA-N 1 0 274.364 1.722 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667515 334384552 /nfs/dbraw/zinc/38/45/52/334384552.db2.gz KTEQJBKGUKNEFB-UONOGXRCSA-N 1 0 262.353 1.345 20 10 CDCDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(O)c1O ZINC000291077467 520418788 /nfs/dbraw/zinc/41/87/88/520418788.db2.gz ZEMDSLBOOJLONV-NSHDSACASA-N 1 0 280.368 1.948 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000293014003 521744531 /nfs/dbraw/zinc/74/45/31/521744531.db2.gz PZDDAKWGSXPRGX-AWEZNQCLSA-N 1 0 264.369 1.951 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276637595 522044019 /nfs/dbraw/zinc/04/40/19/522044019.db2.gz ULTJSVJXYUDJEN-NXEZZACHSA-N 1 0 296.342 1.840 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000062859181 522202948 /nfs/dbraw/zinc/20/29/48/522202948.db2.gz JPOVICPGNXELBE-MRXNPFEDSA-N 1 0 275.396 1.759 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(C)cc1O ZINC000280130288 522620662 /nfs/dbraw/zinc/62/06/62/522620662.db2.gz OXYUAJPUBJPOIO-ZBFHGGJFSA-N 1 0 291.439 1.987 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000096832850 522843911 /nfs/dbraw/zinc/84/39/11/522843911.db2.gz RYXPQZRSGWDTEX-JTQLQIEISA-N 1 0 265.309 1.589 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCC[N@H+](C)C1CC1 ZINC000264919531 523382434 /nfs/dbraw/zinc/38/24/34/523382434.db2.gz YYVMXFQENOSTOR-UHFFFAOYSA-N 1 0 277.368 1.628 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000289537613 524409823 /nfs/dbraw/zinc/40/98/23/524409823.db2.gz HWICPJDQFXMRIF-HOCLYGCPSA-N 1 0 290.407 1.996 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280294782 524749474 /nfs/dbraw/zinc/74/94/74/524749474.db2.gz OLOZOUYXZVGMMY-LRDDRELGSA-N 1 0 293.363 1.781 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2ccnc2)c1 ZINC000041119082 524769988 /nfs/dbraw/zinc/76/99/88/524769988.db2.gz QMFDOKJFJHEEDJ-NSHDSACASA-N 1 0 261.325 1.948 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000096810809 524987454 /nfs/dbraw/zinc/98/74/54/524987454.db2.gz HYWFUKMJXCKDAP-SNVBAGLBSA-N 1 0 265.309 1.732 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289607646 525358854 /nfs/dbraw/zinc/35/88/54/525358854.db2.gz CYNLAFFSJAKSNR-GFCCVEGCSA-N 1 0 290.367 1.525 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280893291 525365665 /nfs/dbraw/zinc/36/56/65/525365665.db2.gz PGKXLPRXMPMOJI-BFHYXJOUSA-N 1 0 279.380 1.996 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c(O)c1 ZINC000280812554 525722913 /nfs/dbraw/zinc/72/29/13/525722913.db2.gz JJALZIHCXCBPIQ-SECBINFHSA-N 1 0 272.295 1.733 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000279569614 525881779 /nfs/dbraw/zinc/88/17/79/525881779.db2.gz AILKJOXFBMQEJR-OAHLLOKOSA-N 1 0 279.336 1.858 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000126120072 525936025 /nfs/dbraw/zinc/93/60/25/525936025.db2.gz MIGFJYYMXIPKJW-UHFFFAOYSA-N 1 0 279.336 1.740 20 10 CDCDRO Nc1ccc(CCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000295191593 527480426 /nfs/dbraw/zinc/48/04/26/527480426.db2.gz OCCAPIWZJAXTBK-LBPRGKRZSA-N 1 0 299.378 1.041 20 10 CDCDRO Cn1ncc(CCC[NH2+]Cc2cc(F)ccc2O)n1 ZINC000293513013 527567945 /nfs/dbraw/zinc/56/79/45/527567945.db2.gz AIZLBALXCORMAS-UHFFFAOYSA-N 1 0 264.304 1.382 20 10 CDCDRO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000278295477 527615093 /nfs/dbraw/zinc/61/50/93/527615093.db2.gz CFNCWHKLYPJYLX-CQSZACIVSA-N 1 0 286.379 1.884 20 10 CDCDRO CN(Cc1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732410998 575089293 /nfs/dbraw/zinc/08/92/93/575089293.db2.gz PJRMZFUJMVACEG-UHFFFAOYSA-N 1 0 288.395 1.997 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1F ZINC000733327250 575114773 /nfs/dbraw/zinc/11/47/73/575114773.db2.gz QOTCCYLKWIWBIV-GFCCVEGCSA-N 1 0 251.349 1.685 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774904258 575250045 /nfs/dbraw/zinc/25/00/45/575250045.db2.gz FGCJTDWHFDMKDQ-SNVBAGLBSA-N 1 0 296.323 1.920 20 10 CDCDRO CS[C@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1[NH+](C)C ZINC000765273774 576003778 /nfs/dbraw/zinc/00/37/78/576003778.db2.gz XOVOIZOMSDJQKB-KOLCDFICSA-N 1 0 286.422 1.571 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(C(N)=O)CC2)c(O)c1 ZINC000768141283 576260282 /nfs/dbraw/zinc/26/02/82/576260282.db2.gz VHJISFQMZNUTAD-UHFFFAOYSA-N 1 0 278.352 1.488 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)CC(=O)NC)c(O)c1 ZINC000768301705 576269269 /nfs/dbraw/zinc/26/92/69/576269269.db2.gz IUPWZGHLOJGFBW-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCOC1 ZINC000768446505 576284252 /nfs/dbraw/zinc/28/42/52/576284252.db2.gz KSYCRCDHKQUUSK-IAQYHMDHSA-N 1 0 293.363 1.676 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCSC1 ZINC000768466319 576287924 /nfs/dbraw/zinc/28/79/24/576287924.db2.gz YSXVPUUAGYEUKC-MFKMUULPSA-N 1 0 281.377 1.755 20 10 CDCDRO C[C@@H]1COCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465946 576288118 /nfs/dbraw/zinc/28/81/18/576288118.db2.gz UEPULPRSCUDMFS-HZMBPMFUSA-N 1 0 279.336 1.286 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH+](C(C)(C)CO)CC2)cc1 ZINC000769447491 576354656 /nfs/dbraw/zinc/35/46/56/576354656.db2.gz VTUUKAFHMYNAEC-UHFFFAOYSA-N 1 0 291.439 1.641 20 10 CDCDRO CN(C)C(=O)N1CC[N@H+](Cc2ccccc2O)C(C)(C)C1 ZINC000761225352 576561142 /nfs/dbraw/zinc/56/11/42/576561142.db2.gz FGASQSVLCCXZRL-UHFFFAOYSA-N 1 0 291.395 1.970 20 10 CDCDRO CCC(=O)N1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000742217786 576588896 /nfs/dbraw/zinc/58/88/96/576588896.db2.gz BIXGCDOVPQEGFJ-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)C[N@@H+]1C1CC1 ZINC000753926760 576866300 /nfs/dbraw/zinc/86/63/00/576866300.db2.gz UFYZFBXUSOKODL-YPMHNXCESA-N 1 0 289.379 1.817 20 10 CDCDRO CCc1cccc(C[NH2+][C@@]2(CCO)CCOC2)c1O ZINC000848907525 678466541 /nfs/dbraw/zinc/46/65/41/678466541.db2.gz OZYVBFHHNKDCBK-HNNXBMFYSA-N 1 0 265.353 1.586 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000840936232 617608839 /nfs/dbraw/zinc/60/88/39/617608839.db2.gz HCVATAJGGMKELQ-GFCCVEGCSA-N 1 0 284.425 1.584 20 10 CDCDRO COc1ccc(C[N@H+](C)CCn2cccn2)c(O)c1OC ZINC000892031720 617425605 /nfs/dbraw/zinc/42/56/05/617425605.db2.gz MXDPBENJGKSVBX-UHFFFAOYSA-N 1 0 291.351 1.738 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000891503512 617447133 /nfs/dbraw/zinc/44/71/33/617447133.db2.gz HDYUVZYXMMWZND-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)c(O)c1OC ZINC000892080765 617467894 /nfs/dbraw/zinc/46/78/94/617467894.db2.gz OSVZDLYHIWLWDV-NSHDSACASA-N 1 0 294.351 1.072 20 10 CDCDRO COc1ccc(C[NH+]2CCSCC2)c(O)c1OC ZINC000891571516 617481020 /nfs/dbraw/zinc/48/10/20/617481020.db2.gz ABQMQYBHXVIYFJ-UHFFFAOYSA-N 1 0 269.366 1.958 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000891814585 617604891 /nfs/dbraw/zinc/60/48/91/617604891.db2.gz SKWYKZZUVGGDJS-YRGRVCCFSA-N 1 0 290.411 1.850 20 10 CDCDRO CCN(CC[NH2+]Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000892790877 617750191 /nfs/dbraw/zinc/75/01/91/617750191.db2.gz AQUQBSQYHGXUON-UHFFFAOYSA-N 1 0 294.395 1.983 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000123972397 617886540 /nfs/dbraw/zinc/88/65/40/617886540.db2.gz XXFNLTDTRGOGMB-VQISRLSMSA-N 1 0 293.338 1.937 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc[nH]n2)cc1 ZINC000841044325 618678764 /nfs/dbraw/zinc/67/87/64/618678764.db2.gz VZHCFSVZHGVYLP-AWEZNQCLSA-N 1 0 259.357 1.265 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000841100537 618682528 /nfs/dbraw/zinc/68/25/28/618682528.db2.gz HCLNCBUIHSIMGI-ZYHUDNBSSA-N 1 0 252.333 1.948 20 10 CDCDRO CC[C@](C)(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894385677 618841773 /nfs/dbraw/zinc/84/17/73/618841773.db2.gz VZMQMUIOQVCUPL-CQSZACIVSA-N 1 0 253.342 1.960 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2O)[C@H](C)C1 ZINC000894405799 618862922 /nfs/dbraw/zinc/86/29/22/618862922.db2.gz MITATDZWNSKBTB-GFCCVEGCSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000894495088 618921694 /nfs/dbraw/zinc/92/16/94/618921694.db2.gz SBJLOWUTYHQVAJ-OLZOCXBDSA-N 1 0 265.353 1.958 20 10 CDCDRO CCOc1cccc(C[NH2+]C2(C)CN(C(=O)OC)C2)c1O ZINC000894542553 618952924 /nfs/dbraw/zinc/95/29/24/618952924.db2.gz MYQSWPSXWXXXFU-UHFFFAOYSA-N 1 0 294.351 1.721 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC[C@H](C)O)c1O ZINC000894590165 618974010 /nfs/dbraw/zinc/97/40/10/618974010.db2.gz YIAIJOXSHZBIOY-NSHDSACASA-N 1 0 253.342 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCc2cnn(C)n2)c1O ZINC000894857450 619103559 /nfs/dbraw/zinc/10/35/59/619103559.db2.gz NBNJXCGTNQYTDB-UHFFFAOYSA-N 1 0 290.367 1.560 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894917152 619142513 /nfs/dbraw/zinc/14/25/13/619142513.db2.gz KSMJGECCECAKEK-SNVBAGLBSA-N 1 0 266.341 1.323 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c(O)c1OC ZINC000894974671 619171890 /nfs/dbraw/zinc/17/18/90/619171890.db2.gz JBBHBKSZUYKGNF-RYUDHWBXSA-N 1 0 295.379 1.860 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CO[C@@H](C)C2)c1O ZINC000895083232 619272640 /nfs/dbraw/zinc/27/26/40/619272640.db2.gz IMWIQDMJSFUDLC-CMPLNLGQSA-N 1 0 251.326 1.976 20 10 CDCDRO COc1cccc(O)c1C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000895575439 619732984 /nfs/dbraw/zinc/73/29/84/619732984.db2.gz DVZMTHRXRBZXMQ-BETUJISGSA-N 1 0 290.363 1.311 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000896962016 620326106 /nfs/dbraw/zinc/32/61/06/620326106.db2.gz HSVRBXHSIHCDOD-NSHDSACASA-N 1 0 279.336 1.786 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897202701 620413175 /nfs/dbraw/zinc/41/31/75/620413175.db2.gz WOFIGGHYBLHQKD-MRXNPFEDSA-N 1 0 278.396 1.956 20 10 CDCDRO COc1cccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)c1O ZINC000841935234 620591297 /nfs/dbraw/zinc/59/12/97/620591297.db2.gz GWUXALRYDYIRDA-LLVKDONJSA-N 1 0 293.367 1.200 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000897891889 621196955 /nfs/dbraw/zinc/19/69/55/621196955.db2.gz WPYUYTZTAKFAAK-UKRRQHHQSA-N 1 0 265.353 1.903 20 10 CDCDRO COc1cccc(CN[C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000841065042 621641032 /nfs/dbraw/zinc/64/10/32/621641032.db2.gz LKZYBWZFNDLIJG-ZYHUDNBSSA-N 1 0 250.342 1.631 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCO[C@H]2CCOC2)c1O ZINC000927083281 621693890 /nfs/dbraw/zinc/69/38/90/621693890.db2.gz KJYDYKRSTGBAHG-NEPJUHHUSA-N 1 0 281.352 1.857 20 10 CDCDRO C[C@@H](CCO)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448824 621741167 /nfs/dbraw/zinc/74/11/67/621741167.db2.gz YCVCJNLAZFAXGC-BBRMVZONSA-N 1 0 279.428 1.716 20 10 CDCDRO CC[C@H]([NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841073419 624974814 /nfs/dbraw/zinc/97/48/14/624974814.db2.gz WYDABHJARWYIDV-ZDUSSCGKSA-N 1 0 281.375 1.489 20 10 CDCDRO COc1cc(N(C)C[C@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000903439780 625992523 /nfs/dbraw/zinc/99/25/23/625992523.db2.gz ORBBQZPFQKTKSW-LLVKDONJSA-N 1 0 280.368 1.901 20 10 CDCDRO CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)[NH+](C)C ZINC000151545593 630693915 /nfs/dbraw/zinc/69/39/15/630693915.db2.gz VVPBQCRJXXCFNT-ZWNOBZJWSA-N 1 0 280.368 1.918 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000155043672 632648798 /nfs/dbraw/zinc/64/87/98/632648798.db2.gz WLKCEYUXPCSTPR-SECBINFHSA-N 1 0 268.744 1.743 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000126499631 678925651 /nfs/dbraw/zinc/92/56/51/678925651.db2.gz VQRZPFVJIZNQPR-NXEZZACHSA-N 1 0 264.325 1.310 20 10 CDCDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568404 677752712 /nfs/dbraw/zinc/75/27/12/677752712.db2.gz WZFHZSJOANIOMW-CYBMUJFWSA-N 1 0 278.396 1.508 20 10 CDCDRO C[NH2+]CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597123 677802017 /nfs/dbraw/zinc/80/20/17/677802017.db2.gz ADFMYRINDASVHT-UHFFFAOYSA-N 1 0 262.353 1.497 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COC(C)(C)O2)cc1 ZINC000228842539 677814429 /nfs/dbraw/zinc/81/44/29/677814429.db2.gz SRZMJLHOUMVODX-AWEZNQCLSA-N 1 0 264.369 1.994 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1O ZINC000840975182 677814729 /nfs/dbraw/zinc/81/47/29/677814729.db2.gz MDWWUYHRVGHJKJ-ZWNOBZJWSA-N 1 0 271.744 1.221 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922047092 677858004 /nfs/dbraw/zinc/85/80/04/677858004.db2.gz XZGLKCBRMNKKBV-GFCCVEGCSA-N 1 0 276.380 1.968 20 10 CDCDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(F)ccc1O ZINC000817586733 677870103 /nfs/dbraw/zinc/87/01/03/677870103.db2.gz RLAQTDXMVUUVEV-VIFPVBQESA-N 1 0 266.316 1.838 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)c2cnn(C)c2)cc1Cl ZINC000825326064 677886484 /nfs/dbraw/zinc/88/64/84/677886484.db2.gz MGBSFZNAXCFGIU-CQSZACIVSA-N 1 0 295.770 1.911 20 10 CDCDRO Oc1ccccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848526369 677934372 /nfs/dbraw/zinc/93/43/72/677934372.db2.gz YAPVZNCATZLGIG-HNNXBMFYSA-N 1 0 276.380 1.735 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[NH2+]C(C)C)c1 ZINC000852801962 677945590 /nfs/dbraw/zinc/94/55/90/677945590.db2.gz HGDDJYXIEKHWPM-SNVBAGLBSA-N 1 0 266.341 1.576 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(CO)CC2)c1O ZINC000118907157 677957317 /nfs/dbraw/zinc/95/73/17/677957317.db2.gz OVXJHWMAEYGFQZ-UHFFFAOYSA-N 1 0 251.326 1.653 20 10 CDCDRO COC[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000846166501 677957347 /nfs/dbraw/zinc/95/73/47/677957347.db2.gz XZEMNOQPPUMATP-MNOVXSKESA-N 1 0 269.341 1.713 20 10 CDCDRO CNC(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933462 677991043 /nfs/dbraw/zinc/99/10/43/677991043.db2.gz OKMLKTAMCAGASH-UHFFFAOYSA-N 1 0 263.385 1.677 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000858577392 678046230 /nfs/dbraw/zinc/04/62/30/678046230.db2.gz BSRZQIHKWSUBOV-UWVGGRQHSA-N 1 0 252.314 1.451 20 10 CDCDRO OC[C@@H](CC(F)F)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000717743089 678028509 /nfs/dbraw/zinc/02/85/09/678028509.db2.gz GZLLIRYZJAYSTM-NXEZZACHSA-N 1 0 257.280 1.985 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC2([NH3+])CCC2)cc1F ZINC000237081896 678052068 /nfs/dbraw/zinc/05/20/68/678052068.db2.gz ALXMDNHLLUWISA-UHFFFAOYSA-N 1 0 279.359 1.779 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2C[C@H](O)C2)cc1F ZINC000873177849 678059985 /nfs/dbraw/zinc/05/99/85/678059985.db2.gz ITPKQUKYTIBBQN-HOMQSWHASA-N 1 0 270.323 1.891 20 10 CDCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226617021 678074224 /nfs/dbraw/zinc/07/42/24/678074224.db2.gz HWCJROXEKMIAGW-LLVKDONJSA-N 1 0 273.329 1.198 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc2ccccc2c1O ZINC000816557476 678084558 /nfs/dbraw/zinc/08/45/58/678084558.db2.gz RAXCWTHOEHZDBU-SNVBAGLBSA-N 1 0 258.321 1.899 20 10 CDCDRO CCCN1CC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000389169786 678089010 /nfs/dbraw/zinc/08/90/10/678089010.db2.gz NMKHYENZTHZERW-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000842226941 678106491 /nfs/dbraw/zinc/10/64/91/678106491.db2.gz QTEBDWVJZMMORQ-ZIAGYGMSSA-N 1 0 265.353 1.233 20 10 CDCDRO OCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877140782 678117948 /nfs/dbraw/zinc/11/79/48/678117948.db2.gz KMNLTCPDTKPHSA-UHFFFAOYSA-N 1 0 290.407 1.652 20 10 CDCDRO COc1ccc(C[NH2+]CCC[S@](C)=O)cc1C ZINC000134745563 678142135 /nfs/dbraw/zinc/14/21/35/678142135.db2.gz KMRVEMCUUWUPCK-QGZVFWFLSA-N 1 0 255.383 1.862 20 10 CDCDRO C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC000841857772 678142473 /nfs/dbraw/zinc/14/24/73/678142473.db2.gz XMKUIMGQSTUBFJ-AAEUAGOBSA-N 1 0 261.369 1.255 20 10 CDCDRO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648709 678168636 /nfs/dbraw/zinc/16/86/36/678168636.db2.gz AFRAJQLTCFSRLB-OLZOCXBDSA-N 1 0 294.395 1.974 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)cc1OC ZINC000843119921 678171843 /nfs/dbraw/zinc/17/18/43/678171843.db2.gz OAAOKEOXTDWWAE-MNOVXSKESA-N 1 0 280.368 1.592 20 10 CDCDRO CC(=O)NCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886497236 679674756 /nfs/dbraw/zinc/67/47/56/679674756.db2.gz YADJPXDBFAYENH-VIFPVBQESA-N 1 0 254.305 1.708 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)c1O ZINC000846157257 679685056 /nfs/dbraw/zinc/68/50/56/679685056.db2.gz SVDTUDCDWFTXSY-YWPYICTPSA-N 1 0 294.395 1.771 20 10 CDCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902819 679686010 /nfs/dbraw/zinc/68/60/10/679686010.db2.gz YPSYGLDCYOZKNQ-UKRRQHHQSA-N 1 0 290.363 1.005 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCCCNC2=O)c1O ZINC000036977244 679690581 /nfs/dbraw/zinc/69/05/81/679690581.db2.gz DSPZUPKNSRWCRE-LBPRGKRZSA-N 1 0 278.352 1.549 20 10 CDCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000842226189 679696191 /nfs/dbraw/zinc/69/61/91/679696191.db2.gz MBXMLTSWEIHOGT-ZIAGYGMSSA-N 1 0 267.369 1.615 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000168190977 677705100 /nfs/dbraw/zinc/70/51/00/677705100.db2.gz QUIQUUHYYHMTPB-RBZFPXEDSA-N 1 0 296.436 1.380 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1C ZINC000782388506 677707596 /nfs/dbraw/zinc/70/75/96/677707596.db2.gz FYSSDQBSDIUSMW-OAHLLOKOSA-N 1 0 279.380 1.881 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](CO)CC1CC1 ZINC000850388502 677725908 /nfs/dbraw/zinc/72/59/08/677725908.db2.gz NFQQCEGUTYQWES-GFCCVEGCSA-N 1 0 265.353 1.899 20 10 CDCDRO [NH3+][C@H](C[NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000841048915 677733389 /nfs/dbraw/zinc/73/33/89/677733389.db2.gz GQWYIPBJEIELPJ-LLVKDONJSA-N 1 0 285.185 1.982 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CO ZINC000191185345 677782816 /nfs/dbraw/zinc/78/28/16/677782816.db2.gz IKMCRKKKGMJBRZ-RHSMWYFYSA-N 1 0 290.407 1.726 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Br)ccc1O ZINC000127460214 677803463 /nfs/dbraw/zinc/80/34/63/677803463.db2.gz AABIRAODTISZCG-ZETCQYMHSA-N 1 0 287.157 1.508 20 10 CDCDRO CC[C@@]1(O)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000779217730 677838760 /nfs/dbraw/zinc/83/87/60/677838760.db2.gz AEVMRTRCWOEAPR-CQSZACIVSA-N 1 0 265.309 1.468 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(O)c1 ZINC000877460384 677876672 /nfs/dbraw/zinc/87/66/72/677876672.db2.gz QSAFCWQDXICUSM-UHFFFAOYSA-N 1 0 276.336 1.775 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)[NH3+])c1 ZINC000828666155 677893720 /nfs/dbraw/zinc/89/37/20/677893720.db2.gz ATAQORDWBOPCAP-BDAKNGLRSA-N 1 0 252.314 1.315 20 10 CDCDRO CCN(C)c1ccc(Cn2cc(CCC[NH3+])nn2)cc1 ZINC000881313349 677990209 /nfs/dbraw/zinc/99/02/09/677990209.db2.gz JSXOWSDJFILMQD-UHFFFAOYSA-N 1 0 273.384 1.674 20 10 CDCDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C ZINC000781001860 678015343 /nfs/dbraw/zinc/01/53/43/678015343.db2.gz QMVMLMUJYBWVGH-NEPJUHHUSA-N 1 0 292.379 1.961 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000831710933 678050367 /nfs/dbraw/zinc/05/03/67/678050367.db2.gz CPXOFSVXUZLDCF-UHFFFAOYSA-N 1 0 273.380 1.413 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[NH2+]CC1 ZINC000841828417 678055893 /nfs/dbraw/zinc/05/58/93/678055893.db2.gz UNRICFVURXPQFC-UHFFFAOYSA-N 1 0 290.411 1.566 20 10 CDCDRO OC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000305727434 678096622 /nfs/dbraw/zinc/09/66/22/678096622.db2.gz IKVVSCBNQYRKGA-UHFFFAOYSA-N 1 0 294.370 1.619 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H](CO)CC2CC2)cc1OC ZINC000827359880 678172632 /nfs/dbraw/zinc/17/26/32/678172632.db2.gz UYOXTTKFGPVCEA-GFCCVEGCSA-N 1 0 295.379 1.908 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1C ZINC000817419693 678205651 /nfs/dbraw/zinc/20/56/51/678205651.db2.gz WCEXJAXXDOCNHI-CYBMUJFWSA-N 1 0 287.367 1.490 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC2CC[NH2+]CC2)c1 ZINC000841915834 678225024 /nfs/dbraw/zinc/22/50/24/678225024.db2.gz MNZVFWPIMMWUAV-SNVBAGLBSA-N 1 0 293.367 1.513 20 10 CDCDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997173 678230439 /nfs/dbraw/zinc/23/04/39/678230439.db2.gz UANZQBZAUQBLKO-SWLSCSKDSA-N 1 0 295.379 1.124 20 10 CDCDRO C[C@H](Cn1cncn1)[NH2+]CCCSc1nccs1 ZINC000850437490 678250196 /nfs/dbraw/zinc/25/01/96/678250196.db2.gz QCRKJGTVUAOSDZ-SNVBAGLBSA-N 1 0 283.426 1.895 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852882631 678302677 /nfs/dbraw/zinc/30/26/77/678302677.db2.gz NFDODTPHKQMNAP-GJZGRUSLSA-N 1 0 291.395 1.075 20 10 CDCDRO COc1cccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1O ZINC000841980878 678309288 /nfs/dbraw/zinc/30/92/88/678309288.db2.gz IZDATKLQQGGWLX-RYUDHWBXSA-N 1 0 293.367 1.470 20 10 CDCDRO COc1ccc(O)c(C[N@@H+](C)C2CCN(OC)CC2)c1 ZINC000835076572 678329807 /nfs/dbraw/zinc/32/98/07/678329807.db2.gz RUGCIFMJKVIIDR-UHFFFAOYSA-N 1 0 280.368 1.858 20 10 CDCDRO COc1cccc(CNC(=O)C[NH+]2CCCC2)c1O ZINC000821065897 678384302 /nfs/dbraw/zinc/38/43/02/678384302.db2.gz SKKKISHALOVKSE-UHFFFAOYSA-N 1 0 264.325 1.113 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c(O)c1 ZINC000877437052 678395838 /nfs/dbraw/zinc/39/58/38/678395838.db2.gz UEXIIDUHKLCDNO-YPMHNXCESA-N 1 0 262.353 1.786 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000848881590 678397393 /nfs/dbraw/zinc/39/73/93/678397393.db2.gz YRIMZBHARAHRBT-ZDUSSCGKSA-N 1 0 262.353 1.794 20 10 CDCDRO CC(C)(O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000111385921 678417521 /nfs/dbraw/zinc/41/75/21/678417521.db2.gz ZSFVIZHQLAFYED-UHFFFAOYSA-N 1 0 282.359 1.523 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876727708 678427772 /nfs/dbraw/zinc/42/77/72/678427772.db2.gz AATHYUVCYPUOCC-LBPRGKRZSA-N 1 0 262.353 1.659 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000841943588 678438048 /nfs/dbraw/zinc/43/80/48/678438048.db2.gz RLCCJCFNOUUYIX-MNOVXSKESA-N 1 0 293.367 1.513 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccc(N2CCOCC2)cc1 ZINC000775258370 678440982 /nfs/dbraw/zinc/44/09/82/678440982.db2.gz YTVMBCRRNUEVED-CYBMUJFWSA-N 1 0 291.395 1.262 20 10 CDCDRO COCC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000778999812 678441663 /nfs/dbraw/zinc/44/16/63/678441663.db2.gz KUNGOKARQRDGTD-UHFFFAOYSA-N 1 0 278.352 1.119 20 10 CDCDRO NC(=O)C1CCN(c2ccc(C[NH2+]CC3CC3)cc2)CC1 ZINC000886324667 678469113 /nfs/dbraw/zinc/46/91/13/678469113.db2.gz BKRBXWPUGRTNHW-UHFFFAOYSA-N 1 0 287.407 1.888 20 10 CDCDRO CC[C@@H]([NH2+]CCCS(=O)(=O)NC)c1ccccc1O ZINC000775415654 678471272 /nfs/dbraw/zinc/47/12/72/678471272.db2.gz UHZCLICPEIQKFT-GFCCVEGCSA-N 1 0 286.397 1.372 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000886229676 678483543 /nfs/dbraw/zinc/48/35/43/678483543.db2.gz UMORFLDFYAQKFW-KBPBESRZSA-N 1 0 295.379 1.811 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C)c(O)c1 ZINC000717355857 678499060 /nfs/dbraw/zinc/49/90/60/678499060.db2.gz XALNTWXVPWQRDB-RYUDHWBXSA-N 1 0 252.358 1.274 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](N)CC[NH+](C)C ZINC000846670599 678506397 /nfs/dbraw/zinc/50/63/97/678506397.db2.gz PPCGEQYXKIWQKO-AWEZNQCLSA-N 1 0 293.411 1.410 20 10 CDCDRO Cc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832292941 678537945 /nfs/dbraw/zinc/53/79/45/678537945.db2.gz NQPHFUYTUNTSDM-OAHLLOKOSA-N 1 0 298.390 1.886 20 10 CDCDRO O[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[C@@H]1O ZINC000886259866 678555495 /nfs/dbraw/zinc/55/54/95/678555495.db2.gz KENXKCBGEACTQV-QKDCVEJESA-N 1 0 277.364 1.376 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)[NH3+])cc1 ZINC000841717641 678579040 /nfs/dbraw/zinc/57/90/40/678579040.db2.gz MBOAUKSSQGAJMM-GFCCVEGCSA-N 1 0 278.400 1.679 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(O)c1O ZINC000780950956 678612040 /nfs/dbraw/zinc/61/20/40/678612040.db2.gz PIOSHTHSUHKIJW-GHMZBOCLSA-N 1 0 278.352 1.619 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2OC)[C@@H]1OC ZINC000775978929 678627837 /nfs/dbraw/zinc/62/78/37/678627837.db2.gz PIBDSDALZOELRA-GLQYFDAESA-N 1 0 281.352 1.683 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC3=[NH+]C[C@H](C)N3)C2)cc1 ZINC000849043368 678688274 /nfs/dbraw/zinc/68/82/74/678688274.db2.gz ANRCTXHGFJLBPT-QWHCGFSZSA-N 1 0 288.395 1.459 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2([NH3+])CCCC2)cc1 ZINC000040825903 678715466 /nfs/dbraw/zinc/71/54/66/678715466.db2.gz WCTPYWSYQYTVPW-UHFFFAOYSA-N 1 0 261.369 1.640 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCSC[C@H]2CO)c(O)c1 ZINC000877780115 678759673 /nfs/dbraw/zinc/75/96/73/678759673.db2.gz KPFWARLFHCMPFI-GFCCVEGCSA-N 1 0 283.393 1.701 20 10 CDCDRO CCn1ncnc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846168010 678771742 /nfs/dbraw/zinc/77/17/42/678771742.db2.gz PXRRTYLGAGMBPR-JTQLQIEISA-N 1 0 276.340 1.863 20 10 CDCDRO CCCC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1O ZINC000801594450 678775411 /nfs/dbraw/zinc/77/54/11/678775411.db2.gz AVSOTTHFJCJIET-UHFFFAOYSA-N 1 0 290.367 1.616 20 10 CDCDRO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccccc1O ZINC000779214521 678800830 /nfs/dbraw/zinc/80/08/30/678800830.db2.gz AEOUXZLEZSDBJR-CYBMUJFWSA-N 1 0 262.353 1.835 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000841056687 678802283 /nfs/dbraw/zinc/80/22/83/678802283.db2.gz IKQFNHMYNVSLLZ-UHFFFAOYSA-N 1 0 264.369 1.880 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCNC2=O)c1 ZINC000846843779 678803032 /nfs/dbraw/zinc/80/30/32/678803032.db2.gz HBPXTILCGFCXLC-WDEREUQCSA-N 1 0 278.352 1.578 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862427562 678848419 /nfs/dbraw/zinc/84/84/19/678848419.db2.gz AXIHPFONZSUBTN-CYBMUJFWSA-N 1 0 292.379 1.844 20 10 CDCDRO CN1CCN(Cc2cc(Cl)ccc2O)[C@@H](C[NH3+])C1 ZINC000226610166 678930744 /nfs/dbraw/zinc/93/07/44/678930744.db2.gz BVQGBGHOSFMQGB-LBPRGKRZSA-N 1 0 269.776 1.120 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+][C@@H](C)[C@H]2C)c1O ZINC000843378044 678933590 /nfs/dbraw/zinc/93/35/90/678933590.db2.gz YGVLLOKNUTYAEP-VHSXEESVSA-N 1 0 280.343 1.916 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)Cn2cnnc2)cc1 ZINC000844726839 678936829 /nfs/dbraw/zinc/93/68/29/678936829.db2.gz YBODHFJYCUCDMN-UHFFFAOYSA-N 1 0 275.356 1.312 20 10 CDCDRO C[C@H](O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858138182 678952394 /nfs/dbraw/zinc/95/23/94/678952394.db2.gz RGGAPUKYLLWQHA-VIFPVBQESA-N 1 0 258.312 1.891 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC2(N(C)C)CC2)c1 ZINC000841892326 678967554 /nfs/dbraw/zinc/96/75/54/678967554.db2.gz XQGXZUUONKIZKB-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(C)cc1O ZINC000872141124 678971171 /nfs/dbraw/zinc/97/11/71/678971171.db2.gz MYOWURDPUMKDRT-UMVBOHGHSA-N 1 0 265.353 1.891 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC[NH2+]1 ZINC000827004603 678980143 /nfs/dbraw/zinc/98/01/43/678980143.db2.gz LLWOXZKEKMFROQ-CQSZACIVSA-N 1 0 259.353 1.265 20 10 CDCDRO C[C@H](CNC(=O)NCCc1ccc(N)cc1)[N@H+](C)C1CC1 ZINC000841791476 678992189 /nfs/dbraw/zinc/99/21/89/678992189.db2.gz XXUCGIKCXDLWTO-GFCCVEGCSA-N 1 0 290.411 1.593 20 10 CDCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861557717 679019510 /nfs/dbraw/zinc/01/95/10/679019510.db2.gz SXKCGYQJAMWPGW-CYBMUJFWSA-N 1 0 290.411 1.775 20 10 CDCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817898885 679050724 /nfs/dbraw/zinc/05/07/24/679050724.db2.gz CCZYDYZHKDEHNO-JSGCOSHPSA-N 1 0 295.402 1.748 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000717769589 679060726 /nfs/dbraw/zinc/06/07/26/679060726.db2.gz UKSCOEGWEKWNLF-SECBINFHSA-N 1 0 261.268 1.507 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)[NH3+])c1 ZINC000841990321 679079527 /nfs/dbraw/zinc/07/95/27/679079527.db2.gz ZLWUEWULXQLPEI-DTWKUNHWSA-N 1 0 267.329 1.108 20 10 CDCDRO COc1ccc(C[NH2+]CC2(OC)CCOCC2)c(O)c1 ZINC000123176233 679097923 /nfs/dbraw/zinc/09/79/23/679097923.db2.gz VONIGJKMJWLQEV-UHFFFAOYSA-N 1 0 281.352 1.686 20 10 CDCDRO CC(C)CC[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000876528577 679109022 /nfs/dbraw/zinc/10/90/22/679109022.db2.gz ZBHXOUOOMBCCBY-AWEZNQCLSA-N 1 0 263.385 1.691 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2[NH2+]CCC2(C)C)c1 ZINC000852885119 679115232 /nfs/dbraw/zinc/11/52/32/679115232.db2.gz NFWKYTCSNIMRHS-HZMBPMFUSA-N 1 0 292.379 1.966 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)[NH3+])C2)cc1 ZINC000819930272 679123049 /nfs/dbraw/zinc/12/30/49/679123049.db2.gz CJJUBFHNMSJDBY-GFCCVEGCSA-N 1 0 291.395 1.375 20 10 CDCDRO C[N@@H+]1C[C@@H]2CN(C(=O)C3=CC(=O)CS3)C[C@]2(C)C1 ZINC000887926223 679139621 /nfs/dbraw/zinc/13/96/21/679139621.db2.gz AIWGFXISJDXQMY-RNCFNFMXSA-N 1 0 266.366 1.477 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2COC[C@@H]2C)c(O)c1 ZINC000922641456 679167514 /nfs/dbraw/zinc/16/75/14/679167514.db2.gz LTCBOJNBBFDEHM-GWCFXTLKSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1cc(O)c(CN(C)C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000817374132 679171148 /nfs/dbraw/zinc/17/11/48/679171148.db2.gz IDWZMPKRCXYTIC-CYBMUJFWSA-N 1 0 294.395 1.935 20 10 CDCDRO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000036959688 679205539 /nfs/dbraw/zinc/20/55/39/679205539.db2.gz HMTMSHSYJXZWAS-QWRGUYRKSA-N 1 0 280.368 1.966 20 10 CDCDRO CCOc1ccc(CN2CC[C@H]([NH2+]C)C2)c(O)c1 ZINC000843045509 679207451 /nfs/dbraw/zinc/20/74/51/679207451.db2.gz UBVPGKGPVWJDIN-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2COCCC2(OC)OC)cc1C ZINC000931677716 679216861 /nfs/dbraw/zinc/21/68/61/679216861.db2.gz WQNUVHJTHWUQBW-OAHLLOKOSA-N 1 0 295.379 1.871 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000817894700 679227566 /nfs/dbraw/zinc/22/75/66/679227566.db2.gz PZDYOFWXVMGWPG-HOCLYGCPSA-N 1 0 291.439 1.918 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(CC(N)=O)CC1 ZINC000817410876 679347927 /nfs/dbraw/zinc/34/79/27/679347927.db2.gz JCDNSOVYTRKDMI-UHFFFAOYSA-N 1 0 264.325 1.146 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C2(CO)CCOCC2)cc1F ZINC000827907689 679362428 /nfs/dbraw/zinc/36/24/28/679362428.db2.gz GMRLHPKIDPOQNX-UHFFFAOYSA-N 1 0 296.386 1.865 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC000821066563 679372769 /nfs/dbraw/zinc/37/27/69/679372769.db2.gz ZIVDSYPFNOECEA-LLVKDONJSA-N 1 0 278.352 1.674 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCN1CCCS1(=O)=O ZINC000877022257 679396664 /nfs/dbraw/zinc/39/66/64/679396664.db2.gz RPNUIIVSDLEIBK-UHFFFAOYSA-N 1 0 298.408 1.216 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000840826983 679398847 /nfs/dbraw/zinc/39/88/47/679398847.db2.gz YVRHBTBSAAWXIH-SCDSUCTJSA-N 1 0 251.326 1.765 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)ccc1N(C)C ZINC000815119843 679434360 /nfs/dbraw/zinc/43/43/60/679434360.db2.gz HVXXGMPWYZZWTJ-CQSZACIVSA-N 1 0 275.396 1.758 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH2+]CC2(C)C)c1 ZINC000088138030 679462778 /nfs/dbraw/zinc/46/27/78/679462778.db2.gz YCCLCTUPCWQOPU-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO CC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1O ZINC000775414937 679465734 /nfs/dbraw/zinc/46/57/34/679465734.db2.gz LZNRNUFFIAOWSA-LBPRGKRZSA-N 1 0 273.340 1.955 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000840915814 679468163 /nfs/dbraw/zinc/46/81/63/679468163.db2.gz FRBHDIMGGVMOJD-OAHLLOKOSA-N 1 0 289.379 1.697 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1O ZINC000846150864 679537265 /nfs/dbraw/zinc/53/72/65/679537265.db2.gz RUWBSHGYHUEZAS-GRYCIOLGSA-N 1 0 263.337 1.988 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000775985537 679563494 /nfs/dbraw/zinc/56/34/94/679563494.db2.gz MURKAWZMANLBFC-NEPJUHHUSA-N 1 0 294.395 1.934 20 10 CDCDRO Cc1cc(C(=O)NCC[NH2+]C2CC2)c(C)n1-c1ccccn1 ZINC000237726987 679566008 /nfs/dbraw/zinc/56/60/08/679566008.db2.gz RNNOGEHEIVJLJF-UHFFFAOYSA-N 1 0 298.390 1.971 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCN1CCCO ZINC000877558556 679576470 /nfs/dbraw/zinc/57/64/70/679576470.db2.gz BDPGJNRUGKVZIX-CQSZACIVSA-N 1 0 278.396 1.637 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000228941418 679590940 /nfs/dbraw/zinc/59/09/40/679590940.db2.gz MHHBALQZEHLYDG-NSHDSACASA-N 1 0 280.368 1.794 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841881647 679599667 /nfs/dbraw/zinc/59/96/67/679599667.db2.gz UCASCIIOKIVGPI-QWRGUYRKSA-N 1 0 264.373 1.460 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCO[C@H]1CCOC1 ZINC000922938245 679631192 /nfs/dbraw/zinc/63/11/92/679631192.db2.gz BPIZQQZLPLVQMF-NSHDSACASA-N 1 0 267.325 1.296 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Cl)ccc1O ZINC000858551964 679639045 /nfs/dbraw/zinc/63/90/45/679639045.db2.gz BQMJQGMAYDLQAL-RLCGTCKNSA-N 1 0 271.744 1.846 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)c1O ZINC000846143216 679651189 /nfs/dbraw/zinc/65/11/89/679651189.db2.gz CTPXOLGUWCCVMB-MNOVXSKESA-N 1 0 250.342 1.756 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001604338457 1163155707 /nfs/dbraw/zinc/15/57/07/1163155707.db2.gz OKXNQVKLCZSEEH-CMPLNLGQSA-N 1 0 294.351 1.120 20 10 CDCDRO COc1ccc(CN2CC[NH+](CC(C)(C)O)CC2)c(O)c1 ZINC000130013948 1161549248 /nfs/dbraw/zinc/54/92/48/1161549248.db2.gz NQDHZWYXZJXJAX-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001579504959 1172202048 /nfs/dbraw/zinc/20/20/48/1172202048.db2.gz AFKRMKXUDWSWRT-KCJUWKMLSA-N 1 0 275.312 1.329 20 10 CDCDRO Cc1ccc(C(=O)N2CC[NH2+]CCC23CCC3)c(O)c1O ZINC001579661034 1172235785 /nfs/dbraw/zinc/23/57/85/1172235785.db2.gz BQNOOJRUNIMANG-UHFFFAOYSA-N 1 0 290.363 1.764 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000222011876 1177918880 /nfs/dbraw/zinc/91/88/80/1177918880.db2.gz QFDRLHWRTMBRHG-SECBINFHSA-N 1 0 251.204 1.111 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1ncnn1C ZINC000877591528 1166063799 /nfs/dbraw/zinc/06/37/99/1166063799.db2.gz DZOBVEVOWQTBJV-ZDUSSCGKSA-N 1 0 287.411 1.910 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001232841821 912543757 /nfs/dbraw/zinc/54/37/57/912543757.db2.gz SZOKZWMNOYOGFS-CQSZACIVSA-N 1 0 261.369 1.348 20 10 CDCDRO CN(c1cnn(CC[NH+](C)C)c1)c1ccc(N)cc1 ZINC001176450211 914117536 /nfs/dbraw/zinc/11/75/36/914117536.db2.gz AJFMVQMJFVTSPT-UHFFFAOYSA-N 1 0 259.357 1.795 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001270703473 904966645 /nfs/dbraw/zinc/96/66/45/904966645.db2.gz MYJPKFZJUFSJNZ-CDBNLRSOSA-N 1 0 288.347 1.416 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001168063990 906430365 /nfs/dbraw/zinc/43/03/65/906430365.db2.gz GMFVNYYYLJZBIZ-UDZFHETQSA-N 1 0 267.325 1.288 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001168074011 906684831 /nfs/dbraw/zinc/68/48/31/906684831.db2.gz GMFVNYYYLJZBIZ-CHIMOYNISA-N 1 0 267.325 1.288 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC001142520442 908845820 /nfs/dbraw/zinc/84/58/20/908845820.db2.gz JPWARIDDCAHAOV-NSHDSACASA-N 1 0 268.307 1.950 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC001172159807 911395870 /nfs/dbraw/zinc/39/58/70/911395870.db2.gz DJQGMVOXOPAOOJ-HOCLYGCPSA-N 1 0 287.407 1.996 20 10 CDCDRO CCOCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172415269 911643225 /nfs/dbraw/zinc/64/32/25/911643225.db2.gz UMULZRUMZVTRDA-JTQLQIEISA-N 1 0 267.325 1.685 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC[C@@H]1F ZINC001206182580 912042378 /nfs/dbraw/zinc/04/23/78/912042378.db2.gz BSJALNMOAPYQJA-NWDGAFQWSA-N 1 0 282.315 1.352 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H]3C[NH2+]C[C@H]32)c1O ZINC001236298462 914914781 /nfs/dbraw/zinc/91/47/81/914914781.db2.gz USDRKAOTAZYJOV-MWLCHTKSSA-N 1 0 268.744 1.458 20 10 CDCDRO N=c1cc(C[NH3+])ccn1C(=O)CCc1ccc(O)c(O)c1 ZINC001182155373 917693164 /nfs/dbraw/zinc/69/31/64/917693164.db2.gz GVJXDKZSKBUFLD-UHFFFAOYSA-N 1 0 287.319 1.110 20 10 CDCDRO COc1cc(CN2CC[N@H+](C)C(C)(C)C2)cc(O)c1O ZINC001204346813 917975074 /nfs/dbraw/zinc/97/50/74/917975074.db2.gz ZYNGPXZZQFOBLI-UHFFFAOYSA-N 1 0 280.368 1.632 20 10 CDCDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005569 936472904 /nfs/dbraw/zinc/47/29/04/936472904.db2.gz VTHCKXCJJIAFLL-OAHLLOKOSA-N 1 0 287.407 1.901 20 10 CDCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(F)c3O)C[C@@H]2C1 ZINC001138126493 936475093 /nfs/dbraw/zinc/47/50/93/936475093.db2.gz CCHOEVKGYYAUTQ-DZGCQCFKSA-N 1 0 294.370 1.684 20 10 CDCDRO CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@H]2C1 ZINC001138131436 936476928 /nfs/dbraw/zinc/47/69/28/936476928.db2.gz ZRNKNOPXJDHNAT-CHWSQXEVSA-N 1 0 264.344 1.915 20 10 CDCDRO Cc1c(CN2CCO[C@@H](C(N)=O)C2)c2ccccc2n1C ZINC001138258077 936503409 /nfs/dbraw/zinc/50/34/09/936503409.db2.gz KNXTUKFTZJZTQV-OAHLLOKOSA-N 1 0 287.363 1.173 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@]4(CCNC4=O)C3)ccc21 ZINC001138355223 936525280 /nfs/dbraw/zinc/52/52/80/936525280.db2.gz LRHBEHYQKGPBNT-GOSISDBHSA-N 1 0 299.418 1.781 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3C[C@@H](F)C[C@H]3CO)ccc21 ZINC001138354788 936525418 /nfs/dbraw/zinc/52/54/18/936525418.db2.gz UWSQLMROJDPIQI-GJZGRUSLSA-N 1 0 278.371 1.974 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCC(=O)N1 ZINC001202862138 936563591 /nfs/dbraw/zinc/56/35/91/936563591.db2.gz BFRLMEZPDASMME-OAHLLOKOSA-N 1 0 287.407 1.997 20 10 CDCDRO COc1cc(CN2CCCOCC2)cc(C[NH+](C)C)c1O ZINC001139253047 936611738 /nfs/dbraw/zinc/61/17/38/936611738.db2.gz JWZONQRTUARGRY-UHFFFAOYSA-N 1 0 294.395 1.685 20 10 CDCDRO COc1cc(CN2C[C@H]3C[C@@H](C2)O3)cc(C[NH+](C)C)c1O ZINC001139258553 936612011 /nfs/dbraw/zinc/61/20/11/936612011.db2.gz RMONXKBECRTHHQ-OKILXGFUSA-N 1 0 292.379 1.436 20 10 CDCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(F)ccc1O ZINC001140058537 936674958 /nfs/dbraw/zinc/67/49/58/936674958.db2.gz GARHNEGJKLVZDA-CYBMUJFWSA-N 1 0 268.332 1.294 20 10 CDCDRO Cc1ccc(C)c(C[N@H+](C)CC(=O)N2CCOCC2)c1O ZINC001140178328 936684313 /nfs/dbraw/zinc/68/43/13/936684313.db2.gz IIOJZYXKXRWUMX-UHFFFAOYSA-N 1 0 292.379 1.300 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1c(C)ccc(C)c1O ZINC001140178914 936684620 /nfs/dbraw/zinc/68/46/20/936684620.db2.gz CGMIFGDOHYZJFX-UHFFFAOYSA-N 1 0 250.342 1.706 20 10 CDCDRO Oc1cc(Cl)ccc1CN1CCN2CCOC[C@@H]2C1 ZINC001140462536 936712699 /nfs/dbraw/zinc/71/26/99/936712699.db2.gz IHYUWKMJWMSTSB-ZDUSSCGKSA-N 1 0 282.771 1.562 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001140617299 936731323 /nfs/dbraw/zinc/73/13/23/936731323.db2.gz LPBSMRLZOLQARE-KBPBESRZSA-N 1 0 271.307 1.945 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC001140745227 936749151 /nfs/dbraw/zinc/74/91/51/936749151.db2.gz APLMXKSIVNJNJH-ZDUSSCGKSA-N 1 0 292.379 1.706 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(O)c(C)c1O ZINC001140749553 936749845 /nfs/dbraw/zinc/74/98/45/936749845.db2.gz DSBWGWAAKPWXNJ-UHFFFAOYSA-N 1 0 267.325 1.791 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CC12CC2 ZINC001140751197 936750004 /nfs/dbraw/zinc/75/00/04/936750004.db2.gz NBKIBDULCPWYLQ-GFCCVEGCSA-N 1 0 291.347 1.791 20 10 CDCDRO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c(O)c1 ZINC001140954254 936783639 /nfs/dbraw/zinc/78/36/39/936783639.db2.gz NXKIKIKMSAQBBB-OAHLLOKOSA-N 1 0 287.363 1.664 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(C)cc2O)C[C@H]1C ZINC001140958229 936784194 /nfs/dbraw/zinc/78/41/94/936784194.db2.gz VDXBOWJCOFGRRG-GFCCVEGCSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1cc(O)c(C[N@H+]2CCC(=O)N(C)CC2)c(OC)c1 ZINC001141028383 936794138 /nfs/dbraw/zinc/79/41/38/936794138.db2.gz MQTIITWELOJACX-UHFFFAOYSA-N 1 0 294.351 1.074 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](O)[C@@H](F)CC3)ccc21 ZINC001141141379 936819581 /nfs/dbraw/zinc/81/95/81/936819581.db2.gz XTVXLWCGTLWOIM-ZFWWWQNUSA-N 1 0 294.370 1.810 20 10 CDCDRO OC[C@@H]1C[C@@H]2OCCN(Cc3cc(O)ccc3O)[C@H]2C1 ZINC001141156028 936821242 /nfs/dbraw/zinc/82/12/42/936821242.db2.gz CYVNDZHRTFATPW-XEGUGMAKSA-N 1 0 279.336 1.070 20 10 CDCDRO Oc1ccc(O)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1 ZINC001141156659 936821399 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ZINC001144514380 931876569 /nfs/dbraw/zinc/87/65/69/931876569.db2.gz AMLHTBPLWAKZPA-UHFFFAOYSA-N 1 0 269.297 1.188 20 10 CDCDRO CN1CCO[C@@]2(CCC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001275821545 932065176 /nfs/dbraw/zinc/06/51/76/932065176.db2.gz SYBBOMYSCPISJT-INIZCTEOSA-N 1 0 292.379 1.394 20 10 CDCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117980541 937576381 /nfs/dbraw/zinc/57/63/81/937576381.db2.gz JMCZTXHWMXLIMG-IUODEOHRSA-N 1 0 264.369 1.118 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(O)c(O)c(O)c2)C1 ZINC001148589991 932755280 /nfs/dbraw/zinc/75/52/80/932755280.db2.gz UQYQNNWRHLMHEB-JTQLQIEISA-N 1 0 294.351 1.265 20 10 CDCDRO CC(C)(C)[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253741773 935987722 /nfs/dbraw/zinc/98/77/22/935987722.db2.gz HWUMEXGOGJXPBL-CYBMUJFWSA-N 1 0 269.341 1.343 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001122029735 937900615 /nfs/dbraw/zinc/90/06/15/937900615.db2.gz YPVMXCYSEUNOCQ-RDBQEKCUSA-N 1 0 290.363 1.719 20 10 CDCDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)c1cccc(O)c1O ZINC001158269105 938602469 /nfs/dbraw/zinc/60/24/69/938602469.db2.gz OBUJDOARMCUNSG-NSHDSACASA-N 1 0 276.336 1.169 20 10 CDCDRO Cc1cc(N2CC[NH+](Cc3ccccc3O)CC2)ncn1 ZINC001203560872 939693184 /nfs/dbraw/zinc/69/31/84/939693184.db2.gz IPKBMKUGSGBINM-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1cccc(OC)c1O ZINC001203596622 939695542 /nfs/dbraw/zinc/69/55/42/939695542.db2.gz MJXZCNMDIJEDKD-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(O)c1 ZINC001203622297 939696976 /nfs/dbraw/zinc/69/69/76/939696976.db2.gz XJJPKSHJOPDGTK-DIOULYMOSA-N 1 0 293.363 1.373 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001203621304 939697423 /nfs/dbraw/zinc/69/74/23/939697423.db2.gz SHPQNBSPWFJGIX-JQWIXIFHSA-N 1 0 251.326 1.604 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(c3cncnc3)CC2)cc1 ZINC001203937636 939715429 /nfs/dbraw/zinc/71/54/29/939715429.db2.gz IINOLMMNNUQHCB-UHFFFAOYSA-N 1 0 297.406 1.865 20 10 CDCDRO CC(C)(O)CC[NH+]1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204277688 939750827 /nfs/dbraw/zinc/75/08/27/939750827.db2.gz IGZBKBDGTSBPDW-UHFFFAOYSA-N 1 0 294.395 1.376 20 10 CDCDRO O=C1NC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)O1 ZINC001204279424 939752435 /nfs/dbraw/zinc/75/24/35/939752435.db2.gz YSDGRIZMLVGYHA-AWEZNQCLSA-N 1 0 278.308 1.172 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001205370091 939886324 /nfs/dbraw/zinc/88/63/24/939886324.db2.gz NGDKESHOIHZVMH-MWLCHTKSSA-N 1 0 277.151 1.203 20 10 CDCDRO CCOc1ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205888809 939951642 /nfs/dbraw/zinc/95/16/42/939951642.db2.gz KXUAYSMJGSWIHD-RISCZKNCSA-N 1 0 264.369 1.960 20 10 CDCDRO COc1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c1 ZINC001206405799 940033205 /nfs/dbraw/zinc/03/32/05/940033205.db2.gz SPIBYOZHFRHRCZ-MNOVXSKESA-N 1 0 254.305 1.272 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(O)c(O)cc1O ZINC001276516560 940167064 /nfs/dbraw/zinc/16/70/64/940167064.db2.gz HTNZFGPHDKIWOQ-QWRGUYRKSA-N 1 0 264.325 1.082 20 10 CDCDRO CCn1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)nn1 ZINC000404428038 940962429 /nfs/dbraw/zinc/96/24/29/940962429.db2.gz FOOZVJJIIJMZNP-GFCCVEGCSA-N 1 0 258.325 1.781 20 10 CDCDRO N[C@@H](CC[NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217703944 941006965 /nfs/dbraw/zinc/00/69/65/941006965.db2.gz RBJXODUZWLCTJQ-ZDUSSCGKSA-N 1 0 283.335 1.876 20 10 CDCDRO FC1(F)CNC[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218235262 941048245 /nfs/dbraw/zinc/04/82/45/941048245.db2.gz ALZXZWZYQUJQPM-ZDUSSCGKSA-N 1 0 283.322 1.082 20 10 CDCDRO O[C@H]1C[C@H](COc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001218431049 941217351 /nfs/dbraw/zinc/21/73/51/941217351.db2.gz LKBGOXOPCBWMRZ-MQMHXKEQSA-N 1 0 262.353 1.246 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)C2)c1 ZINC000311083439 941318235 /nfs/dbraw/zinc/31/82/35/941318235.db2.gz GNIIAMFZRFJWKP-GFCCVEGCSA-N 1 0 250.342 1.537 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001219644612 941368525 /nfs/dbraw/zinc/36/85/25/941368525.db2.gz CYPIANCKMYDFAZ-WCQYABFASA-N 1 0 292.379 1.392 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC001219659335 941373406 /nfs/dbraw/zinc/37/34/06/941373406.db2.gz WDZBYOZLUPTUFH-UWVGGRQHSA-N 1 0 264.325 1.073 20 10 CDCDRO Cc1cc(C)c(CNC(=O)C2CC[NH2+]CC2)c(O)c1 ZINC001220825961 941475354 /nfs/dbraw/zinc/47/53/54/941475354.db2.gz VRCIIERVHCJSRK-UHFFFAOYSA-N 1 0 262.353 1.625 20 10 CDCDRO COc1ccc(N2CCC[C@@]3(C2)C[N@H+](C)CCO3)cc1 ZINC001276925096 941703348 /nfs/dbraw/zinc/70/33/48/941703348.db2.gz VLPZTPFNASQDLM-INIZCTEOSA-N 1 0 276.380 1.996 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1O ZINC001231588546 942936429 /nfs/dbraw/zinc/93/64/29/942936429.db2.gz UHNOOERQWLUOBU-DYVFJYSZSA-N 1 0 287.359 1.721 20 10 CDCDRO Cc1cccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c1O ZINC001231591349 942938305 /nfs/dbraw/zinc/93/83/05/942938305.db2.gz BDIWKKBZNKETBE-UHFFFAOYSA-N 1 0 290.363 1.182 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232258647 943190313 /nfs/dbraw/zinc/19/03/13/943190313.db2.gz BQLHFFGNRKYPKU-APPZFPTMSA-N 1 0 257.717 1.706 20 10 CDCDRO NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001277657197 943249909 /nfs/dbraw/zinc/24/99/09/943249909.db2.gz NPTNUCPBLFPEOX-LBPRGKRZSA-N 1 0 276.336 1.185 20 10 CDCDRO CC(C)[NH+]1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232834139 943413269 /nfs/dbraw/zinc/41/32/69/943413269.db2.gz IBUYOOMWYXUISJ-UHFFFAOYSA-N 1 0 277.412 1.984 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(O)c1 ZINC001232835166 943413339 /nfs/dbraw/zinc/41/33/39/943413339.db2.gz YMKXBJKNTOIEHK-CQSZACIVSA-N 1 0 264.369 1.805 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CCC[C@@H](N(C)C)C2)c(O)c1 ZINC001232838154 943415564 /nfs/dbraw/zinc/41/55/64/943415564.db2.gz AZCCBVCTCOUMGZ-OAHLLOKOSA-N 1 0 277.412 1.984 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCN(C)C3=O)c(O)c1 ZINC001232842193 943416939 /nfs/dbraw/zinc/41/69/39/943416939.db2.gz NLYPRMVXCMLNOU-UHFFFAOYSA-N 1 0 289.379 1.122 20 10 CDCDRO OCC[C@H]1CC12CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233482928 943590755 /nfs/dbraw/zinc/59/07/55/943590755.db2.gz HSEWMNDEWFIYQK-LBPRGKRZSA-N 1 0 293.363 1.788 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1O ZINC001233486282 943593819 /nfs/dbraw/zinc/59/38/19/943593819.db2.gz GOLQXNCKVQYESA-OWUUHHOZSA-N 1 0 253.273 1.451 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486357 943594022 /nfs/dbraw/zinc/59/40/22/943594022.db2.gz KFLZTEIGVURVJK-JTQLQIEISA-N 1 0 295.335 1.579 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001233487068 943595713 /nfs/dbraw/zinc/59/57/13/943595713.db2.gz OBHIIOVAEOTLKD-LLVKDONJSA-N 1 0 295.335 1.531 20 10 CDCDRO Cc1c(CN2CCN[C@@]3(CC[NH2+]C3)C2)c2ccccc2n1C ZINC001235055223 944030085 /nfs/dbraw/zinc/03/00/85/944030085.db2.gz STDLXVRMHMHKRF-GOSISDBHSA-N 1 0 298.434 1.624 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235079684 944047717 /nfs/dbraw/zinc/04/77/17/944047717.db2.gz XIXPPZLWLUXJCX-IAGOWNOFSA-N 1 0 287.407 1.459 20 10 CDCDRO Nc1ccc(CN2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235231977 944099897 /nfs/dbraw/zinc/09/98/97/944099897.db2.gz RFXARBIKGWTUST-AAEUAGOBSA-N 1 0 285.313 1.853 20 10 CDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977675 944342480 /nfs/dbraw/zinc/34/24/80/944342480.db2.gz HDUCSXCNUHQPSZ-WBVHZDCISA-N 1 0 287.407 1.446 20 10 CDCDRO Fc1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236282577 944442020 /nfs/dbraw/zinc/44/20/20/944442020.db2.gz CWRHUKSKXKYXAM-BBRMVZONSA-N 1 0 291.370 1.066 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC001236290189 944448984 /nfs/dbraw/zinc/44/89/84/944448984.db2.gz JHVDJFQOJTUPNX-PELKAZGASA-N 1 0 268.744 1.458 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236293589 944451971 /nfs/dbraw/zinc/45/19/71/944451971.db2.gz YSPTYNOITXUTCR-DZGCQCFKSA-N 1 0 275.396 1.642 20 10 CDCDRO CCc1ccc(CN2CCN(C)C[C@H]2C(=O)OC)c(O)c1 ZINC001236787128 944569332 /nfs/dbraw/zinc/56/93/32/944569332.db2.gz GWZMHZVQEWIIAA-AWEZNQCLSA-N 1 0 292.379 1.244 20 10 CDCDRO COc1cc(C)c(C[NH+]2CC(N3CCOCC3)C2)c(O)c1 ZINC001236813391 944578761 /nfs/dbraw/zinc/57/87/61/944578761.db2.gz JTWZKVTXKAMHIO-UHFFFAOYSA-N 1 0 292.379 1.226 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC001236814396 944579291 /nfs/dbraw/zinc/57/92/91/944579291.db2.gz RNJMNKNUXBDOJN-NSHDSACASA-N 1 0 251.326 1.523 20 10 CDCDRO Oc1cc2ccccc2cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001236827886 944584465 /nfs/dbraw/zinc/58/44/65/944584465.db2.gz VZPMMYDTHCQKBM-HNNXBMFYSA-N 1 0 273.332 1.739 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001237046152 944645426 /nfs/dbraw/zinc/64/54/26/944645426.db2.gz QVTNNNDISAVHBV-DZGCQCFKSA-N 1 0 265.353 1.301 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001237045908 944647508 /nfs/dbraw/zinc/64/75/08/944647508.db2.gz MWMOHEYTTLXGLQ-GJZGRUSLSA-N 1 0 279.380 1.691 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1c(O)ccc(F)c1Cl ZINC001237124883 944661487 /nfs/dbraw/zinc/66/14/87/944661487.db2.gz OUHYQFJJHKCDRU-UHFFFAOYSA-N 1 0 274.723 1.882 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001237485361 944811940 /nfs/dbraw/zinc/81/19/40/944811940.db2.gz OTWKHGINUWDBLS-OCCSQVGLSA-N 1 0 253.317 1.995 20 10 CDCDRO [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@H](CO)C1 ZINC001237938043 945012089 /nfs/dbraw/zinc/01/20/89/945012089.db2.gz XBCGGDRVFRYMLC-QMMMGPOBSA-N 1 0 259.708 1.999 20 10 CDCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC001261256411 946021255 /nfs/dbraw/zinc/02/12/55/946021255.db2.gz GGGHLRXNGNMQTJ-JTQLQIEISA-N 1 0 296.342 1.699 20 10 CDCDRO Cn1ccc(-c2ccccc2N2CC[NH2+]CC2)cc1=O ZINC001240991437 946131666 /nfs/dbraw/zinc/13/16/66/946131666.db2.gz JNKASRVKHAQUNJ-UHFFFAOYSA-N 1 0 269.348 1.462 20 10 CDCDRO C[N@@H+]1CC[C@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001255444260 947907776 /nfs/dbraw/zinc/90/77/76/947907776.db2.gz KOYGJTBSEWOHTI-ZDUSSCGKSA-N 1 0 262.353 1.550 20 10 CDCDRO COc1ccc(N2CCN(C3CC[NH2+]CC3)CC2)c(C)c1 ZINC001246935905 948529978 /nfs/dbraw/zinc/52/99/78/948529978.db2.gz TVBYVOIZMZRREV-UHFFFAOYSA-N 1 0 289.423 1.878 20 10 CDCDRO CCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001258480589 948876375 /nfs/dbraw/zinc/87/63/75/948876375.db2.gz DAWTZXABGGONHH-SNVBAGLBSA-N 1 0 267.325 1.919 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253460536 951917216 /nfs/dbraw/zinc/91/72/16/951917216.db2.gz XGHITFLOHBWTCL-ZDUSSCGKSA-N 1 0 279.380 1.926 20 10 CDCDRO CC(C)(C)OC[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253474441 951925764 /nfs/dbraw/zinc/92/57/64/951925764.db2.gz RNWDBKANEGZAGG-GFCCVEGCSA-N 1 0 269.341 1.363 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H](O)COC(C)(C)C)c1O ZINC001253476815 951928307 /nfs/dbraw/zinc/92/83/07/951928307.db2.gz MKQXNVZSOANLFB-ZDUSSCGKSA-N 1 0 267.369 1.966 20 10 CDCDRO C[NH+]1CCC(c2cn(-c3ccc(N)cc3)nn2)CC1 ZINC001254080373 952186781 /nfs/dbraw/zinc/18/67/81/952186781.db2.gz DDMYEBITAUQPDR-UHFFFAOYSA-N 1 0 257.341 1.659 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC001325371656 953868797 /nfs/dbraw/zinc/86/87/97/953868797.db2.gz LDKKASQMBNHNSL-LBPRGKRZSA-N 1 0 278.400 1.550 20 10 CDCDRO COC(=O)N1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001308377239 956525061 /nfs/dbraw/zinc/52/50/61/956525061.db2.gz AFBPMWJLTLXXDQ-UHFFFAOYSA-N 1 0 262.309 1.162 20 10 CDCDRO CN1CCN(c2ccc(C[NH2+]CCF)cc2F)CC1 ZINC001321299627 959704754 /nfs/dbraw/zinc/70/47/54/959704754.db2.gz ODEPDAZLMJEKQC-UHFFFAOYSA-N 1 0 269.339 1.637 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N)cc1 ZINC001335490566 959841475 /nfs/dbraw/zinc/84/14/75/959841475.db2.gz HUSUNZRFIGSOHT-NHYWBVRUSA-N 1 0 288.395 1.551 20 10 CDCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1OC ZINC001321868620 959995570 /nfs/dbraw/zinc/99/55/70/959995570.db2.gz SDUINWVGTLBBMX-CMPLNLGQSA-N 1 0 279.336 1.832 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N)cc1 ZINC001336118331 960210755 /nfs/dbraw/zinc/21/07/55/960210755.db2.gz YKBKCLSEGZRPOY-GFCCVEGCSA-N 1 0 250.346 1.051 20 10 CDCDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC001323566169 960822303 /nfs/dbraw/zinc/82/23/03/960822303.db2.gz GGKWLQBEYMASSI-GBVBUYCNSA-N 1 0 290.363 1.567 20 10 CDCDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC001344109539 964234345 /nfs/dbraw/zinc/23/43/45/964234345.db2.gz LZPQRCFBLBTJHV-LLVKDONJSA-N 1 0 278.352 1.560 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739316 965234237 /nfs/dbraw/zinc/23/42/37/965234237.db2.gz PQXXQNJLEUKQEG-ZDUSSCGKSA-N 1 0 276.384 1.362 20 10 CDCDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H]1O ZINC001355292850 969113537 /nfs/dbraw/zinc/11/35/37/969113537.db2.gz UWEYYTSCSDRXQF-NXEZZACHSA-N 1 0 272.142 1.768 20 10 CDCDRO COC(=O)NC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001356083359 969329237 /nfs/dbraw/zinc/32/92/37/969329237.db2.gz NOAYERMUPDWYOO-UHFFFAOYSA-N 1 0 263.341 1.589 20 10 CDCDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccccc2O)C1 ZINC000294994398 199289594 /nfs/dbraw/zinc/28/95/94/199289594.db2.gz HVDPHFYSYJEIGF-OAHLLOKOSA-N 1 0 279.336 1.404 20 10 CDCDRO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801170 356536495 /nfs/dbraw/zinc/53/64/95/356536495.db2.gz MFOZQYCLMAJWQS-CQSZACIVSA-N 1 0 263.385 1.838 20 10 CDCDRO COCCOC[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180526103 357274494 /nfs/dbraw/zinc/27/44/94/357274494.db2.gz FSCOZWCDCMRCLJ-ZDUSSCGKSA-N 1 0 295.379 1.886 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C[N@@H+]1C1CC1 ZINC000185819901 357580896 /nfs/dbraw/zinc/58/08/96/357580896.db2.gz AWOWDZAFPOIYCB-NXEZZACHSA-N 1 0 276.336 1.453 20 10 CDCDRO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(C)ccc1O ZINC000188789020 357936844 /nfs/dbraw/zinc/93/68/44/357936844.db2.gz GICGTMUPZKBUHE-UONOGXRCSA-N 1 0 279.336 1.199 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H](C)OC)cc1OC ZINC000191204465 358118776 /nfs/dbraw/zinc/11/87/76/358118776.db2.gz JQDINXVVJFQYKR-VIFPVBQESA-N 1 0 255.314 1.534 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000273607922 359005048 /nfs/dbraw/zinc/00/50/48/359005048.db2.gz UUKBFYCZEOCRBO-ZDUSSCGKSA-N 1 0 278.396 1.808 20 10 CDCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(F)ccc1O ZINC000226615473 359705107 /nfs/dbraw/zinc/70/51/07/359705107.db2.gz JLXAOZBMJIHEPA-XLFHBGCDSA-N 1 0 259.346 1.778 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H](O)C(C)C)CC2)cc1 ZINC000124055635 360886146 /nfs/dbraw/zinc/88/61/46/360886146.db2.gz NZNAVQFLQHZZEA-MRXNPFEDSA-N 1 0 278.396 1.834 20 10 CDCDRO C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccccc1O ZINC000272872622 365427647 /nfs/dbraw/zinc/42/76/47/365427647.db2.gz OYQFVJOKDYIGBA-GXTWGEPZSA-N 1 0 291.395 1.383 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1C ZINC000282285960 367812977 /nfs/dbraw/zinc/81/29/77/367812977.db2.gz IQALSCJJMUMXKL-YGRLFVJLSA-N 1 0 262.353 1.618 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NCCF ZINC000282883809 368086700 /nfs/dbraw/zinc/08/67/00/368086700.db2.gz YSUNZUQMWKWLPM-MRVPVSSYSA-N 1 0 258.268 1.095 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)C[NH3+])CC2)cc1F ZINC000286107822 368695630 /nfs/dbraw/zinc/69/56/30/368695630.db2.gz NYDIMKZJZMLNEM-NSHDSACASA-N 1 0 295.358 1.078 20 10 CDCDRO OCCCN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000295209923 378661302 /nfs/dbraw/zinc/66/13/02/378661302.db2.gz ZXLLDOQBUXOHRD-CQSZACIVSA-N 1 0 282.359 1.468 20 10 CDCDRO COC(=O)N1CC([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000186137254 262080820 /nfs/dbraw/zinc/08/08/20/262080820.db2.gz AMNBTFYVVFSZCS-JTQLQIEISA-N 1 0 264.325 1.802 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)OCCO)cc1C ZINC000288521073 197102751 /nfs/dbraw/zinc/10/27/51/197102751.db2.gz URDOBKNUCIEFMU-UHFFFAOYSA-N 1 0 267.369 1.881 20 10 CDCDRO OCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOCC1 ZINC000296973735 285248325 /nfs/dbraw/zinc/24/83/25/285248325.db2.gz RRZHQMNPEWDRKR-ZDUSSCGKSA-N 1 0 277.364 1.758 20 10 CDCDRO CC(C)CNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109768945 390647948 /nfs/dbraw/zinc/64/79/48/390647948.db2.gz MEAADIVWJAZNBM-UHFFFAOYSA-N 1 0 250.342 1.596 20 10 CDCDRO COc1ccc(O)c(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000133014669 390934362 /nfs/dbraw/zinc/93/43/62/390934362.db2.gz XJCYHJOYAHGUTN-UHFFFAOYSA-N 1 0 252.314 1.097 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000178709661 391190880 /nfs/dbraw/zinc/19/08/80/391190880.db2.gz RYUGNGZZNPLZGQ-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(N3CCNC3=O)CC2)c1O ZINC000183388410 391262981 /nfs/dbraw/zinc/26/29/81/391262981.db2.gz RLBKVWYAAPZXRX-UHFFFAOYSA-N 1 0 289.379 1.690 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCCCO)cc1OC ZINC000194530780 391361559 /nfs/dbraw/zinc/36/15/59/391361559.db2.gz BYDMDUUTVYLWAX-UHFFFAOYSA-N 1 0 255.314 1.272 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047516 174057904 /nfs/dbraw/zinc/05/79/04/174057904.db2.gz PQVWQIZQXYMHPU-LLVKDONJSA-N 1 0 271.382 1.786 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C(C)C)c(O)c1 ZINC000038876200 174158174 /nfs/dbraw/zinc/15/81/74/174158174.db2.gz YFCDKSCUZCBUJQ-LBPRGKRZSA-N 1 0 252.314 1.000 20 10 CDCDRO CCOc1cccc(CN(C)[C@H]2CC[NH2+]C2)c1O ZINC000071309214 176116832 /nfs/dbraw/zinc/11/68/32/176116832.db2.gz LXVFGRWJMZRALE-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)CN2CCOCC2)c1O ZINC000036933134 260052898 /nfs/dbraw/zinc/05/28/98/260052898.db2.gz ASXXWKFPXPCHDV-GFCCVEGCSA-N 1 0 280.368 1.211 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CCO)C2CC2)cc1F ZINC000153603375 261080923 /nfs/dbraw/zinc/08/09/23/261080923.db2.gz KEURBRNZAKFROR-UHFFFAOYSA-N 1 0 252.333 1.848 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000157200056 261142316 /nfs/dbraw/zinc/14/23/16/261142316.db2.gz INMQNRWMHBIYLW-SNVBAGLBSA-N 1 0 264.325 1.098 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000185777701 262069830 /nfs/dbraw/zinc/06/98/30/262069830.db2.gz BTBFNSWFPLWVTI-LBPRGKRZSA-N 1 0 294.351 1.721 20 10 CDCDRO CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1ccccc1O ZINC000186290450 262087838 /nfs/dbraw/zinc/08/78/38/262087838.db2.gz IGCPNXXGIGZERP-GFCCVEGCSA-N 1 0 264.325 1.884 20 10 CDCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC000367838685 267120979 /nfs/dbraw/zinc/12/09/79/267120979.db2.gz GAIUKLISGRQRLP-FVQHAEBGSA-N 1 0 288.391 1.193 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1F ZINC000270295332 276802572 /nfs/dbraw/zinc/80/25/72/276802572.db2.gz ACAUKLXZQFODFC-GFCCVEGCSA-N 1 0 293.386 1.898 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(CCOC3=O)CC2)c1 ZINC000378442605 329050323 /nfs/dbraw/zinc/05/03/23/329050323.db2.gz KKLWKAIPNVEMQP-UHFFFAOYSA-N 1 0 291.347 1.930 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCS(=O)(=O)C(C)C)c1 ZINC000290054946 329954509 /nfs/dbraw/zinc/95/45/09/329954509.db2.gz DUONLYLWQSMZKG-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134131521 334081695 /nfs/dbraw/zinc/08/16/95/334081695.db2.gz NNYZVZQIGHUYIT-CQSZACIVSA-N 1 0 262.353 1.299 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000701679934 1161508440 /nfs/dbraw/zinc/50/84/40/1161508440.db2.gz GUNGWIDKSDZMCC-UHFFFAOYSA-N 1 0 265.357 1.540 20 10 CDCDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000037643442 521709982 /nfs/dbraw/zinc/70/99/82/521709982.db2.gz YZLRQRDEBTYOMX-ZDUSSCGKSA-N 1 0 261.369 1.269 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000292877578 521744401 /nfs/dbraw/zinc/74/44/01/521744401.db2.gz DTOHXJWQNVALQK-AWEZNQCLSA-N 1 0 294.351 1.371 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000082284174 522036346 /nfs/dbraw/zinc/03/63/46/522036346.db2.gz KBQNYRUEYROBBI-CQSZACIVSA-N 1 0 261.369 1.364 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCCOCC2)cc1F ZINC000289388384 522207113 /nfs/dbraw/zinc/20/71/13/522207113.db2.gz DMXUWGXVDRLOCY-UHFFFAOYSA-N 1 0 295.402 1.704 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1F ZINC000265096341 522209121 /nfs/dbraw/zinc/20/91/21/522209121.db2.gz PXZBHKGCWJMPPI-AWEZNQCLSA-N 1 0 252.333 1.752 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000272665775 522298960 /nfs/dbraw/zinc/29/89/60/522298960.db2.gz IXDXYOXOZLDRTK-GFCCVEGCSA-N 1 0 270.348 1.643 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H](O)COC)c1ccc(C)cc1O ZINC000280245561 522609833 /nfs/dbraw/zinc/60/98/33/522609833.db2.gz WGKSXEGTNDHLDC-YPMHNXCESA-N 1 0 253.342 1.749 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccccc1O ZINC000068801429 522635909 /nfs/dbraw/zinc/63/59/09/522635909.db2.gz SEICTMSSDSEJQC-ZFWWWQNUSA-N 1 0 277.412 1.679 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000275353373 522830759 /nfs/dbraw/zinc/83/07/59/522830759.db2.gz ZSNYGBMZQSVAAX-UHFFFAOYSA-N 1 0 295.335 1.452 20 10 CDCDRO CCn1nccc1C[NH2+]Cc1cccc(OC)c1O ZINC000020352709 523729283 /nfs/dbraw/zinc/72/92/83/523729283.db2.gz GNKCMPBXZQGOMU-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO COCCOCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000044693651 524010880 /nfs/dbraw/zinc/01/08/80/524010880.db2.gz MBVZQWQWJZGAKZ-LLVKDONJSA-N 1 0 269.341 1.714 20 10 CDCDRO C[C@@H](CC(=O)NCCc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC000237446706 524372080 /nfs/dbraw/zinc/37/20/80/524372080.db2.gz YCTJHAMRUPEQEC-ZDUSSCGKSA-N 1 0 289.423 1.953 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280445564 524745588 /nfs/dbraw/zinc/74/55/88/524745588.db2.gz KUVWJUQKLGBIJX-CYBMUJFWSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2snnc2C)c1 ZINC000292694341 524752748 /nfs/dbraw/zinc/75/27/48/524752748.db2.gz BSQYHCCMECFVFA-UHFFFAOYSA-N 1 0 265.338 1.851 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2cnn(C)n2)c1 ZINC000293032379 524764371 /nfs/dbraw/zinc/76/43/71/524764371.db2.gz ADMXERQCVHXTAJ-LLVKDONJSA-N 1 0 290.367 1.813 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC(F)F)c1 ZINC000280941411 525362759 /nfs/dbraw/zinc/36/27/59/525362759.db2.gz SMHYTDWMCXZXLT-VIFPVBQESA-N 1 0 272.295 1.733 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000127637479 525599729 /nfs/dbraw/zinc/59/97/29/525599729.db2.gz WNRURIFTJHBXAQ-NWDGAFQWSA-N 1 0 282.359 1.694 20 10 CDCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccccc1O)CCO2 ZINC000279748067 525604794 /nfs/dbraw/zinc/60/47/94/525604794.db2.gz YEWJWVWWIXNRNO-WFASDCNBSA-N 1 0 263.337 1.772 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000364839495 525956947 /nfs/dbraw/zinc/95/69/47/525956947.db2.gz BUYOEKVPWOMZPZ-MNOVXSKESA-N 1 0 255.289 1.306 20 10 CDCDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(O)c1O ZINC000277438835 526590786 /nfs/dbraw/zinc/59/07/86/526590786.db2.gz FEKRCXBYPBUNQI-GFCCVEGCSA-N 1 0 290.363 1.845 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)CC(=O)N(C)C)c1O ZINC000133213485 679838175 /nfs/dbraw/zinc/83/81/75/679838175.db2.gz VFBLNVMEVOARNP-UHFFFAOYSA-N 1 0 280.368 1.701 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)c(O)c1 ZINC000748242790 574516998 /nfs/dbraw/zinc/51/69/98/574516998.db2.gz QQXWVAQEJSMPOO-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773010388 575774317 /nfs/dbraw/zinc/77/43/17/575774317.db2.gz UJITUGAKAPEPEI-TZMCWYRMSA-N 1 0 275.396 1.882 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCOC1 ZINC000738082345 576037312 /nfs/dbraw/zinc/03/73/12/576037312.db2.gz QZEKQNDKAPZITL-LLVKDONJSA-N 1 0 279.336 1.979 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765797233 576056664 /nfs/dbraw/zinc/05/66/64/576056664.db2.gz QXHOGQAVJAMONY-JSGCOSHPSA-N 1 0 293.386 1.896 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000765797245 576056721 /nfs/dbraw/zinc/05/67/21/576056721.db2.gz RBYQHCGCDHXZTD-NEPJUHHUSA-N 1 0 278.352 1.405 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000765799987 576057457 /nfs/dbraw/zinc/05/74/57/576057457.db2.gz ZYPKEWBHKGPNFV-GJZGRUSLSA-N 1 0 275.396 1.757 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(C)(O)CC1 ZINC000769446895 576354768 /nfs/dbraw/zinc/35/47/68/576354768.db2.gz OWSIVELUHMZOSF-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(F)ccc1O ZINC000756546933 576994673 /nfs/dbraw/zinc/99/46/73/576994673.db2.gz WARSBLHZHJCXGI-NEPJUHHUSA-N 1 0 282.359 1.903 20 10 CDCDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756777169 577003842 /nfs/dbraw/zinc/00/38/42/577003842.db2.gz WJXCEEUBAQBOFZ-OQPBUACISA-N 1 0 297.305 1.788 20 10 CDCDRO [NH3+]C1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000892023119 617418427 /nfs/dbraw/zinc/41/84/27/617418427.db2.gz VKDWCXGSBPXCQT-UHFFFAOYSA-N 1 0 275.352 1.687 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])c1ccccc1O ZINC000892146193 617506754 /nfs/dbraw/zinc/50/67/54/617506754.db2.gz NTFIZIKSOMHCAX-LPEHRKFASA-N 1 0 251.330 1.488 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C(=O)NC(C)C)c1 ZINC000840974239 617933249 /nfs/dbraw/zinc/93/32/49/617933249.db2.gz CCVPOWPCJNGWMY-LLVKDONJSA-N 1 0 280.368 1.794 20 10 CDCDRO C[NH2+][C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000219381909 617694922 /nfs/dbraw/zinc/69/49/22/617694922.db2.gz XZSFHHIAAKJFAP-NSHDSACASA-N 1 0 285.185 1.948 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O ZINC000892294547 617707969 /nfs/dbraw/zinc/70/79/69/617707969.db2.gz ZZYMQTAAWCSANS-UTUOFQBUSA-N 1 0 277.368 1.893 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000840957177 617808282 /nfs/dbraw/zinc/80/82/82/617808282.db2.gz HQJBCIYBZQQNQK-OAHLLOKOSA-N 1 0 289.423 1.971 20 10 CDCDRO COc1ccc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000893668985 617818238 /nfs/dbraw/zinc/81/82/38/617818238.db2.gz JGGHFSJALJQDCU-RYUDHWBXSA-N 1 0 294.395 1.934 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@H]2CCOC2)c(O)c1OC ZINC000893532308 618047184 /nfs/dbraw/zinc/04/71/84/618047184.db2.gz SYTJUXILXHXWNQ-NSHDSACASA-N 1 0 281.352 1.926 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CCO)C(C)C)c(O)c1OC ZINC000893056258 618107985 /nfs/dbraw/zinc/10/79/85/618107985.db2.gz KYVJBDQKJUZSLG-GFCCVEGCSA-N 1 0 283.368 1.906 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000840933983 618144216 /nfs/dbraw/zinc/14/42/16/618144216.db2.gz LJPUEVZYVKJJGX-KRWDZBQOSA-N 1 0 292.423 1.938 20 10 CDCDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892413282 618167516 /nfs/dbraw/zinc/16/75/16/618167516.db2.gz FVTITFBUHXPQDR-CYBMUJFWSA-N 1 0 294.395 1.983 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503334 618548196 /nfs/dbraw/zinc/54/81/96/618548196.db2.gz GIEYHEWFZZZLRY-CYBMUJFWSA-N 1 0 258.325 1.821 20 10 CDCDRO CCOc1ccc(CN2CCC[NH2+]CC2)c(O)c1 ZINC000843047399 618689324 /nfs/dbraw/zinc/68/93/24/618689324.db2.gz NQWUUMCPZFCRSA-UHFFFAOYSA-N 1 0 250.342 1.586 20 10 CDCDRO Oc1cc2c(cc1CN1CC[C@H]3[NH2+]CC[C@@H]3C1)OCO2 ZINC000843128935 618693854 /nfs/dbraw/zinc/69/38/54/618693854.db2.gz ZRLQEBLDJUZNLA-ZYHUDNBSSA-N 1 0 276.336 1.305 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CC(N)=O)c1O ZINC000894342204 618799809 /nfs/dbraw/zinc/79/98/09/618799809.db2.gz JJOGFQRCWFQHFK-SECBINFHSA-N 1 0 252.314 1.063 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC000894686913 619017725 /nfs/dbraw/zinc/01/77/25/619017725.db2.gz YEAUCPYSBBIKRM-CQSZACIVSA-N 1 0 269.316 1.616 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1F ZINC000895331928 619578352 /nfs/dbraw/zinc/57/83/52/619578352.db2.gz SFXVSDQDHRJMHX-DOMZBBRYSA-N 1 0 282.359 1.209 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCNC1=O ZINC000895813513 619857294 /nfs/dbraw/zinc/85/72/94/619857294.db2.gz FKUKIXXIOGMMNH-UHFFFAOYSA-N 1 0 276.384 1.176 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CC[C@@H](O)C1CC1)OCO2 ZINC000898207080 621363635 /nfs/dbraw/zinc/36/36/35/621363635.db2.gz ZSDNEMUJUKCGMM-LLVKDONJSA-N 1 0 265.309 1.372 20 10 CDCDRO CN(C)c1ccc([C@H](C[NH2+]CC2(C)COC2)N(C)C)cc1 ZINC000902723551 625268604 /nfs/dbraw/zinc/26/86/04/625268604.db2.gz KJXYWMPSESHHMK-INIZCTEOSA-N 1 0 291.439 1.981 20 10 CDCDRO CNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905529699 626854628 /nfs/dbraw/zinc/85/46/28/626854628.db2.gz MCRBKMNGRUFQQS-UHFFFAOYSA-N 1 0 278.425 1.032 20 10 CDCDRO COc1c(O)c(CN[C@@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000841088355 628642996 /nfs/dbraw/zinc/64/29/96/628642996.db2.gz ZHORWFMJICOOFC-LLVKDONJSA-N 1 0 295.339 1.539 20 10 CDCDRO C[NH+](C)CCCNC(=S)NCCc1ccc(O)c(O)c1 ZINC000916546088 632008753 /nfs/dbraw/zinc/00/87/53/632008753.db2.gz FUFVJCRRMUQTCS-UHFFFAOYSA-N 1 0 297.424 1.056 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1O ZINC000702572720 683130581 /nfs/dbraw/zinc/13/05/81/683130581.db2.gz IKZNFFOATRQMCV-SMDDNHRTSA-N 1 0 250.342 1.109 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2COC[C@H]2OCC)c1O ZINC000825196629 679721626 /nfs/dbraw/zinc/72/16/26/679721626.db2.gz KPHYDLLUFULSJR-TZMCWYRMSA-N 1 0 281.352 1.684 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CCF)cc1F ZINC000846095920 679742940 /nfs/dbraw/zinc/74/29/40/679742940.db2.gz CMIXKYAWYYYYHZ-NSHDSACASA-N 1 0 258.312 1.702 20 10 CDCDRO COCC[C@@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000840955847 679746487 /nfs/dbraw/zinc/74/64/87/679746487.db2.gz YKDJTWJFLXLNSO-SNVBAGLBSA-N 1 0 267.325 1.883 20 10 CDCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)NC1CC1 ZINC000921519349 679758393 /nfs/dbraw/zinc/75/83/93/679758393.db2.gz BMJCPHISSOTNPN-UHFFFAOYSA-N 1 0 260.337 1.380 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000841051746 679767015 /nfs/dbraw/zinc/76/70/15/679767015.db2.gz QYBSYEGYRILLHK-MRVPVSSYSA-N 1 0 269.301 1.136 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876580083 679768465 /nfs/dbraw/zinc/76/84/65/679768465.db2.gz DWVMHOYAOHZAIX-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)C)c1 ZINC000037225384 679768866 /nfs/dbraw/zinc/76/88/66/679768866.db2.gz QDGONNPGLONBHT-SECBINFHSA-N 1 0 252.314 1.140 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]1(C)CO ZINC000827700246 679769359 /nfs/dbraw/zinc/76/93/59/679769359.db2.gz QTMRAKFJFMXELJ-YGRLFVJLSA-N 1 0 253.317 1.982 20 10 CDCDRO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000841929222 679776933 /nfs/dbraw/zinc/77/69/33/679776933.db2.gz UYQPAEWMBSVCRK-QWHCGFSZSA-N 1 0 291.395 1.922 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1 ZINC000886225834 679780949 /nfs/dbraw/zinc/78/09/49/679780949.db2.gz CIDIRKCLKDEAGU-ZIAGYGMSSA-N 1 0 265.353 1.720 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CC[S@@](C)=O)cc1 ZINC000844401846 679811220 /nfs/dbraw/zinc/81/12/20/679811220.db2.gz NRDXSBTYFNYKMM-LJQANCHMSA-N 1 0 284.425 1.442 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037807391 679810188 /nfs/dbraw/zinc/81/01/88/679810188.db2.gz MBPPNAFOKVLDPT-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO [O-]c1c(F)cccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843125179 679813125 /nfs/dbraw/zinc/81/31/25/679813125.db2.gz ZROCDYXNFUVYIZ-CYBMUJFWSA-N 1 0 279.359 1.011 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(O)c1O ZINC000780938453 679814607 /nfs/dbraw/zinc/81/46/07/679814607.db2.gz LXQNXKKSXBYZFH-NSHDSACASA-N 1 0 278.352 1.430 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843364495 679816842 /nfs/dbraw/zinc/81/68/42/679816842.db2.gz KNZFKTGZVKDVHZ-GXSJLCMTSA-N 1 0 280.343 1.903 20 10 CDCDRO C[C@H]([NH2+]CCCn1cncn1)c1cc(F)ccc1O ZINC000381659223 679843076 /nfs/dbraw/zinc/84/30/76/679843076.db2.gz DKQGCAMTXNXGLK-JTQLQIEISA-N 1 0 264.304 1.864 20 10 CDCDRO C[C@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003745 679847242 /nfs/dbraw/zinc/84/72/42/679847242.db2.gz PWRROVDAHJQGOL-JSGCOSHPSA-N 1 0 292.379 1.637 20 10 CDCDRO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109771717 679851846 /nfs/dbraw/zinc/85/18/46/679851846.db2.gz SGTCZEBYZWKYTR-LBPRGKRZSA-N 1 0 264.369 1.985 20 10 CDCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCn1cncn1 ZINC000790950176 679863445 /nfs/dbraw/zinc/86/34/45/679863445.db2.gz WHPQYHJPEZHLPT-UHFFFAOYSA-N 1 0 284.722 1.956 20 10 CDCDRO CCCS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648750 681515817 /nfs/dbraw/zinc/51/58/17/681515817.db2.gz CEBSTTSEDMLIOH-LLVKDONJSA-N 1 0 271.382 1.868 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000846165467 681554349 /nfs/dbraw/zinc/55/43/49/681554349.db2.gz MSYWKVYSUOLLNA-ZJUUUORDSA-N 1 0 266.341 1.528 20 10 CDCDRO CC(C)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000049442485 681554388 /nfs/dbraw/zinc/55/43/88/681554388.db2.gz SKKMEMIQDMEGEH-UHFFFAOYSA-N 1 0 277.412 1.957 20 10 CDCDRO CCOc1cccc(C[NH2+]CC(C)(C)CO)c1O ZINC000124298856 681580372 /nfs/dbraw/zinc/58/03/72/681580372.db2.gz ORWSGYPMZJCPOD-UHFFFAOYSA-N 1 0 253.342 1.899 20 10 CDCDRO OC[C@@H](CCF)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877614837 681635219 /nfs/dbraw/zinc/63/52/19/681635219.db2.gz NJJWYBDXEVNIDN-CQSZACIVSA-N 1 0 296.386 1.458 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccccc1O ZINC000879648453 681721975 /nfs/dbraw/zinc/72/19/75/681721975.db2.gz PVRKRLIQFMZFEZ-GFCCVEGCSA-N 1 0 285.347 1.754 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000848900618 681778296 /nfs/dbraw/zinc/77/82/96/681778296.db2.gz OPCHWWZEDDURKA-CQSZACIVSA-N 1 0 275.352 1.511 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(C)c3O)C[C@@H]21 ZINC000814173177 681794859 /nfs/dbraw/zinc/79/48/59/681794859.db2.gz HKVFQYLKYFBQRG-ITGUQSILSA-N 1 0 261.321 1.551 20 10 CDCDRO CO[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877464985 681829643 /nfs/dbraw/zinc/82/96/43/681829643.db2.gz QGKATPARFUTTLQ-CYBMUJFWSA-N 1 0 278.396 1.772 20 10 CDCDRO C[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)C[NH+](C)C ZINC000193090724 681885850 /nfs/dbraw/zinc/88/58/50/681885850.db2.gz KCLSOUPQTZLKGF-SNVBAGLBSA-N 1 0 280.368 1.804 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H](C)CN2CCOCC2)c(O)c1 ZINC000877057127 681887154 /nfs/dbraw/zinc/88/71/54/681887154.db2.gz VAGUXDOQHXSRND-CQSZACIVSA-N 1 0 278.396 1.759 20 10 CDCDRO C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)[C@H](C)C[NH2+]1 ZINC000841955451 681909562 /nfs/dbraw/zinc/90/95/62/681909562.db2.gz CGISXNWXPZZNGF-VXGBXAGGSA-N 1 0 276.384 1.203 20 10 CDCDRO Fc1cc(CNC[C@@H]2CCC[NH2+]2)ccc1N1CCOCC1 ZINC000841037051 681936993 /nfs/dbraw/zinc/93/69/93/681936993.db2.gz YGCCOOHBJCISJW-AWEZNQCLSA-N 1 0 293.386 1.504 20 10 CDCDRO CC(C)[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000026646214 681979799 /nfs/dbraw/zinc/97/97/99/681979799.db2.gz ZDTRWUGBWCJHDY-UHFFFAOYSA-N 1 0 278.352 1.647 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)c2ncnn2C)c1O ZINC000848905627 682013810 /nfs/dbraw/zinc/01/38/10/682013810.db2.gz KNWOBLGGGAYXEP-SNVBAGLBSA-N 1 0 260.341 1.934 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)CC[NH3+])c1 ZINC000841968088 682023343 /nfs/dbraw/zinc/02/33/43/682023343.db2.gz TWGWOCFIOXDXRR-VHSXEESVSA-N 1 0 281.356 1.498 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)C(F)(F)F ZINC000865712220 682042046 /nfs/dbraw/zinc/04/20/46/682042046.db2.gz YBMXLDKPVOVWLL-UPONEAKYSA-N 1 0 293.241 1.522 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869080 682069256 /nfs/dbraw/zinc/06/92/56/682069256.db2.gz UCWQOMUAXSHDIZ-OAHLLOKOSA-N 1 0 291.395 1.001 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1O ZINC000848919864 682119564 /nfs/dbraw/zinc/11/95/64/682119564.db2.gz UAHCCJZVTOPGPB-ZIAGYGMSSA-N 1 0 293.363 1.310 20 10 CDCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)CC2CC2)c(O)c1 ZINC000877110427 682252346 /nfs/dbraw/zinc/25/23/46/682252346.db2.gz UXIHFURBWLCKCN-UHFFFAOYSA-N 1 0 283.393 1.615 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(Cl)cc1O ZINC000866498178 682280702 /nfs/dbraw/zinc/28/07/02/682280702.db2.gz VTOWTSSFNYOVRR-GGZOMVNGSA-N 1 0 271.744 1.846 20 10 CDCDRO c1cnc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000390089566 682319119 /nfs/dbraw/zinc/31/91/19/682319119.db2.gz BJQSVRGLJPKGNK-UHFFFAOYSA-N 1 0 298.390 1.646 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000866457066 682356828 /nfs/dbraw/zinc/35/68/28/682356828.db2.gz IGWFZZQGTNBAPM-LLVKDONJSA-N 1 0 286.397 1.291 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC000819373100 682372029 /nfs/dbraw/zinc/37/20/29/682372029.db2.gz BFUDJVAJVHXMIA-CYBMUJFWSA-N 1 0 298.452 1.626 20 10 CDCDRO C[C@H](C[NH3+])C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002873 682494057 /nfs/dbraw/zinc/49/40/57/682494057.db2.gz GFPVHGRORRFVOC-TZMCWYRMSA-N 1 0 292.379 1.495 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(C[C@H](C)O)CC2)c(O)c1 ZINC000876686760 682509705 /nfs/dbraw/zinc/50/97/05/682509705.db2.gz ICGJSGNBHVXPHL-ZDUSSCGKSA-N 1 0 264.369 1.199 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCc2cnccn2)cc1OC ZINC000776256890 682545005 /nfs/dbraw/zinc/54/50/05/682545005.db2.gz SINBTYHADISBIB-UHFFFAOYSA-N 1 0 289.335 1.532 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH3+])CCCC1 ZINC000851671416 682549981 /nfs/dbraw/zinc/54/99/81/682549981.db2.gz MOCPKBOSADFFGW-UHFFFAOYSA-N 1 0 277.368 1.805 20 10 CDCDRO CC[S@](=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858132884 682558114 /nfs/dbraw/zinc/55/81/14/682558114.db2.gz HICDSCGCSCNJSL-IBGZPJMESA-N 1 0 290.379 1.889 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000841938539 682565655 /nfs/dbraw/zinc/56/56/55/682565655.db2.gz FLNBXSDUEBSNGO-ZDUSSCGKSA-N 1 0 276.384 1.256 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CCC2)c1O ZINC000846157113 682628733 /nfs/dbraw/zinc/62/87/33/682628733.db2.gz JTFWFWLFMRRHPT-NSHDSACASA-N 1 0 250.342 1.757 20 10 CDCDRO Cn1cc([C@@H]2CN(Cc3ccccc3O)C[C@H]2[NH3+])cn1 ZINC000818431851 682630862 /nfs/dbraw/zinc/63/08/62/682630862.db2.gz VFXRFHRTAVOCBX-UONOGXRCSA-N 1 0 272.352 1.052 20 10 CDCDRO CN1CCC(CCO)([NH2+]Cc2ccccc2O)CC1 ZINC000779511987 682642381 /nfs/dbraw/zinc/64/23/81/682642381.db2.gz VWFNEUOFQUFYJW-UHFFFAOYSA-N 1 0 264.369 1.329 20 10 CDCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000825256907 682655979 /nfs/dbraw/zinc/65/59/79/682655979.db2.gz LRPSSZGEGFRMAK-OTVXOJSOSA-N 1 0 262.353 1.136 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2CCCNC2=O)c(O)c1 ZINC000839197085 682709722 /nfs/dbraw/zinc/70/97/22/682709722.db2.gz ZUAXKADCZAHBEJ-GFCCVEGCSA-N 1 0 278.352 1.407 20 10 CDCDRO CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(C)cc1O ZINC000794815302 682779912 /nfs/dbraw/zinc/77/99/12/682779912.db2.gz OMTOEMYNVMPVGE-GOEBONIOSA-N 1 0 278.396 1.808 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000828666911 682786437 /nfs/dbraw/zinc/78/64/37/682786437.db2.gz JYPYJNTZOJHOBN-RYUDHWBXSA-N 1 0 292.379 1.968 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)N(C)CC)c1O ZINC000709487324 682792206 /nfs/dbraw/zinc/79/22/06/682792206.db2.gz ZZXTYZZCBSIYDF-NSHDSACASA-N 1 0 264.369 1.911 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000840826814 682819464 /nfs/dbraw/zinc/81/94/64/682819464.db2.gz WJMULGDGIFOMGZ-RYUDHWBXSA-N 1 0 260.337 1.495 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000134492681 682829431 /nfs/dbraw/zinc/82/94/31/682829431.db2.gz NAIWLAUDPPFMSN-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000848916371 682832315 /nfs/dbraw/zinc/83/23/15/682832315.db2.gz GSKKSKGOAFVBFT-CYBMUJFWSA-N 1 0 262.353 1.570 20 10 CDCDRO CCN1CCN(Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840939957 682839331 /nfs/dbraw/zinc/83/93/31/682839331.db2.gz SJEKJZMUWDFKEY-UHFFFAOYSA-N 1 0 275.396 1.725 20 10 CDCDRO CCN1CCO[C@@H](C(=O)NCc2cc(C)ccc2O)C1 ZINC000862760971 682853472 /nfs/dbraw/zinc/85/34/72/682853472.db2.gz YFRYQCLRMJWKQM-CQSZACIVSA-N 1 0 278.352 1.038 20 10 CDCDRO CN(C(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(N)cc1 ZINC000877078733 683074162 /nfs/dbraw/zinc/07/41/62/683074162.db2.gz BWWUAPSCBDJGKC-CYBMUJFWSA-N 1 0 263.341 1.000 20 10 CDCDRO CO[C@@H](C[NH3+])CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000232115529 683083729 /nfs/dbraw/zinc/08/37/29/683083729.db2.gz WZGVWPWINCBZFB-CQSZACIVSA-N 1 0 279.384 1.075 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000846676997 683091331 /nfs/dbraw/zinc/09/13/31/683091331.db2.gz MARMSTJWCYWFMW-NEPJUHHUSA-N 1 0 292.379 1.968 20 10 CDCDRO Cc1cc(C[N@H+]2CCC(=O)N(C)CC2)ccc1N(C)C ZINC000852577496 683220970 /nfs/dbraw/zinc/22/09/70/683220970.db2.gz GRKGFQMOEZIESD-UHFFFAOYSA-N 1 0 275.396 1.725 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC(C)(CO)C2)cc1OC ZINC000839145419 683254155 /nfs/dbraw/zinc/25/41/55/683254155.db2.gz IZEAVBQJCRJEOL-UHFFFAOYSA-N 1 0 267.325 1.224 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)NCCCSc1nccs1 ZINC000829528035 683312594 /nfs/dbraw/zinc/31/25/94/683312594.db2.gz JNNKOVJHPNMFSI-QMMMGPOBSA-N 1 0 259.400 1.336 20 10 CDCDRO c1cc2c(cc1C[NH2+]CCCN1CCOCC1)CCCO2 ZINC000124395467 683355570 /nfs/dbraw/zinc/35/55/70/683355570.db2.gz ZWUYPJSQNSMTPH-UHFFFAOYSA-N 1 0 290.407 1.824 20 10 CDCDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268712506 683358375 /nfs/dbraw/zinc/35/83/75/683358375.db2.gz KWZJYUSVLYKRCB-UKRRQHHQSA-N 1 0 278.396 1.945 20 10 CDCDRO COCCN(CC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000826559721 683372407 /nfs/dbraw/zinc/37/24/07/683372407.db2.gz HWYZQBVMBVTBOG-UHFFFAOYSA-N 1 0 272.370 1.104 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)c(O)c1 ZINC000832178423 683388111 /nfs/dbraw/zinc/38/81/11/683388111.db2.gz RBZVVTXTEPQGSK-CYBMUJFWSA-N 1 0 290.363 1.407 20 10 CDCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877178010 683395795 /nfs/dbraw/zinc/39/57/95/683395795.db2.gz YUDJRRYDLOLECH-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)N1CCCC1 ZINC000381235464 683402076 /nfs/dbraw/zinc/40/20/76/683402076.db2.gz YTCHNGVHVSFVAS-WCQYABFASA-N 1 0 274.364 1.980 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)COC)c1O ZINC000069911832 683404003 /nfs/dbraw/zinc/40/40/03/683404003.db2.gz GGWCECUADFSZJM-AWEZNQCLSA-N 1 0 269.341 1.278 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000841881714 683413209 /nfs/dbraw/zinc/41/32/09/683413209.db2.gz CNUXNOAJYXLUBP-ABAIWWIYSA-N 1 0 290.411 1.850 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCN2CC[C@H](O)C2)cc1Cl ZINC000862552003 683531141 /nfs/dbraw/zinc/53/11/41/683531141.db2.gz RFDQQLUJPBLSKS-LBPRGKRZSA-N 1 0 284.787 1.510 20 10 CDCDRO O=C(C[NH2+][C@@H]1CCc2cccc(O)c21)NCC(F)(F)F ZINC000393692338 683546017 /nfs/dbraw/zinc/54/60/17/683546017.db2.gz XUOUPHJULGWKOX-SECBINFHSA-N 1 0 288.269 1.648 20 10 CDCDRO COc1cccc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1O ZINC000391535608 683583265 /nfs/dbraw/zinc/58/32/65/683583265.db2.gz UHAKTKRMZYJMPC-UHFFFAOYSA-N 1 0 287.381 1.314 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(OCCO)CC2)c(O)c1 ZINC000876791334 683593348 /nfs/dbraw/zinc/59/33/48/683593348.db2.gz KQIRFSADHILGJH-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO CC(C)CN(CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862222828 683674251 /nfs/dbraw/zinc/67/42/51/683674251.db2.gz KKPCRUPENVRFLT-UHFFFAOYSA-N 1 0 299.365 1.974 20 10 CDCDRO COc1cccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1O ZINC000843120395 683735608 /nfs/dbraw/zinc/73/56/08/683735608.db2.gz IUWIDUXKCLWOOG-OAHLLOKOSA-N 1 0 299.374 1.942 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649570 683753011 /nfs/dbraw/zinc/75/30/11/683753011.db2.gz WHIBZYLZOQGGRX-VXGBXAGGSA-N 1 0 253.342 1.830 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819077845 683763180 /nfs/dbraw/zinc/76/31/80/683763180.db2.gz PEEQZEJJVRJFTA-MRXNPFEDSA-N 1 0 280.412 1.938 20 10 CDCDRO CCOc1ccc(C[NH2+]Cc2cnnn2C)c(O)c1 ZINC000808436716 683816694 /nfs/dbraw/zinc/81/66/94/683816694.db2.gz PYCBYURHVPXOQV-UHFFFAOYSA-N 1 0 262.313 1.209 20 10 CDCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000126870217 683817195 /nfs/dbraw/zinc/81/71/95/683817195.db2.gz HTTJJJZRMRTITE-NSHDSACASA-N 1 0 255.339 1.059 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCc2ccnn2C)cc1 ZINC000231033644 683860469 /nfs/dbraw/zinc/86/04/69/683860469.db2.gz DUAPHKNCQQPQAK-UHFFFAOYSA-N 1 0 258.369 1.818 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@@H]21 ZINC000836847747 683874676 /nfs/dbraw/zinc/87/46/76/683874676.db2.gz CZZDGPHWRNEIAG-NZTAEXDXSA-N 1 0 288.347 1.274 20 10 CDCDRO C[NH+](C)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000037826084 683877258 /nfs/dbraw/zinc/87/72/58/683877258.db2.gz OJYGZBWSEUTMOH-UHFFFAOYSA-N 1 0 275.396 1.612 20 10 CDCDRO Cc1cccc(C[N@H+](CC(N)=O)C2CCCC2)c1O ZINC000124530830 683880184 /nfs/dbraw/zinc/88/01/84/683880184.db2.gz UWHHKXNYNHNJEZ-UHFFFAOYSA-N 1 0 262.353 1.931 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2COCCO2)cc1F ZINC000858100943 683895790 /nfs/dbraw/zinc/89/57/90/683895790.db2.gz SZWHDCPRBSQSPK-LLVKDONJSA-N 1 0 286.322 1.536 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000843049417 683897642 /nfs/dbraw/zinc/89/76/42/683897642.db2.gz NNFBWPDMTVVBIU-AWEZNQCLSA-N 1 0 293.386 1.456 20 10 CDCDRO CC[N@H+](C)C[C@@H](O)CSc1ncc(C(=O)OC)s1 ZINC000848674070 683901922 /nfs/dbraw/zinc/90/19/22/683901922.db2.gz KCJOKJDNUHYOJC-MRVPVSSYSA-N 1 0 290.410 1.334 20 10 CDCDRO CC[NH2+]CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000844181534 683911686 /nfs/dbraw/zinc/91/16/86/683911686.db2.gz UHKDDUJBIYTVCG-UHFFFAOYSA-N 1 0 291.395 1.390 20 10 CDCDRO O=C1NCCN1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922337455 683941598 /nfs/dbraw/zinc/94/15/98/683941598.db2.gz DEOSCLVBJHGFHA-UHFFFAOYSA-N 1 0 275.352 1.126 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c1O ZINC000846166620 683952483 /nfs/dbraw/zinc/95/24/83/683952483.db2.gz BCLFWEPJFYLYQZ-ZIBATOQPSA-N 1 0 281.352 1.591 20 10 CDCDRO CC[C@H](CO)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000931530734 683964390 /nfs/dbraw/zinc/96/43/90/683964390.db2.gz OMGPRVUTZAEJET-CYBMUJFWSA-N 1 0 294.395 1.597 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000877558554 683965558 /nfs/dbraw/zinc/96/55/58/683965558.db2.gz BDPGJNRUGKVZIX-AWEZNQCLSA-N 1 0 278.396 1.637 20 10 CDCDRO COc1ccc(N2CCN(C(=O)CCC[NH3+])CC2)cc1 ZINC000011805381 683967379 /nfs/dbraw/zinc/96/73/79/683967379.db2.gz KJOMSCBSIXSDDL-UHFFFAOYSA-N 1 0 277.368 1.083 20 10 CDCDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(C)cc1O)CC2 ZINC000877002914 683983108 /nfs/dbraw/zinc/98/31/08/683983108.db2.gz GFKVHLDEZSLSLN-ZDUSSCGKSA-N 1 0 272.352 1.705 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000792200059 684042876 /nfs/dbraw/zinc/04/28/76/684042876.db2.gz HEZFFIGVOXXOGX-PWSUYJOCSA-N 1 0 279.336 1.832 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C2(C(N)=O)CC2)cc1Cl ZINC000825500762 684046454 /nfs/dbraw/zinc/04/64/54/684046454.db2.gz HPCGNHCFASNRFJ-UHFFFAOYSA-N 1 0 254.717 1.462 20 10 CDCDRO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861620745 684060945 /nfs/dbraw/zinc/06/09/45/684060945.db2.gz LHLGPXDGEWQJSU-NEPJUHHUSA-N 1 0 278.400 1.802 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000816667757 684069209 /nfs/dbraw/zinc/06/92/09/684069209.db2.gz VXRXEFUOLXOOAF-NSHDSACASA-N 1 0 251.326 1.748 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835075365 684085303 /nfs/dbraw/zinc/08/53/03/684085303.db2.gz WYPBBWJKZIGYIW-OCCSQVGLSA-N 1 0 290.363 1.644 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCOC2)cc1 ZINC000832278906 684101308 /nfs/dbraw/zinc/10/13/08/684101308.db2.gz GDORTVISYXGSJU-DZGCQCFKSA-N 1 0 291.395 1.295 20 10 CDCDRO CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023149975 684121057 /nfs/dbraw/zinc/12/10/57/684121057.db2.gz PIYXSANJSKSKGW-TXEJJXNPSA-N 1 0 289.339 1.719 20 10 CDCDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(F)ccc1O ZINC000179970672 684147416 /nfs/dbraw/zinc/14/74/16/684147416.db2.gz FQKJREFHLRNGSJ-UHFFFAOYSA-N 1 0 268.332 1.832 20 10 CDCDRO O=C(C[NH2+][C@H]1CCc2cccc(O)c21)NCC(F)(F)F ZINC000393692339 684162692 /nfs/dbraw/zinc/16/26/92/684162692.db2.gz XUOUPHJULGWKOX-VIFPVBQESA-N 1 0 288.269 1.648 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)cc1 ZINC000844129935 684212001 /nfs/dbraw/zinc/21/20/01/684212001.db2.gz VSXDRYAEZWYCBL-CQSZACIVSA-N 1 0 298.390 1.828 20 10 CDCDRO O[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000188847790 684255234 /nfs/dbraw/zinc/25/52/34/684255234.db2.gz FFAMVTFIBYEPEC-DOTOQJQBSA-N 1 0 290.407 1.774 20 10 CDCDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000192962923 684256452 /nfs/dbraw/zinc/25/64/52/684256452.db2.gz LDYQDEFTPUUSOG-UHFFFAOYSA-N 1 0 292.379 1.948 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000841825748 684257383 /nfs/dbraw/zinc/25/73/83/684257383.db2.gz CQJBPKJYFBJBJP-NSHDSACASA-N 1 0 278.400 1.455 20 10 CDCDRO CCC[NH2+]CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841826814 684286037 /nfs/dbraw/zinc/28/60/37/684286037.db2.gz JJFACMGHQGODDI-UHFFFAOYSA-N 1 0 292.427 1.860 20 10 CDCDRO Cc1ccc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c(O)c1 ZINC001140953500 1159546753 /nfs/dbraw/zinc/54/67/53/1159546753.db2.gz AVFKRMVQZTWAJZ-KBPBESRZSA-N 1 0 290.407 1.994 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCS(C)(=O)=O ZINC000037740553 1165788034 /nfs/dbraw/zinc/78/80/34/1165788034.db2.gz GSCDFOMLJNAJLA-MNOVXSKESA-N 1 0 283.393 1.883 20 10 CDCDRO COc1ccc(N2CCN([C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1 ZINC000062948500 1169092686 /nfs/dbraw/zinc/09/26/86/1169092686.db2.gz MBGZAZZGGSHCSO-GDBMZVCRSA-N 1 0 289.423 1.958 20 10 CDCDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[NH2+]1 ZINC001576667905 1171485461 /nfs/dbraw/zinc/48/54/61/1171485461.db2.gz WLHWZUHSKLYLJJ-BXKDBHETSA-N 1 0 289.339 1.719 20 10 CDCDRO O=C(C[C@]1(O)CCC[NH2+]C1)NCc1cc(Cl)ccc1O ZINC001580497543 1172456116 /nfs/dbraw/zinc/45/61/16/1172456116.db2.gz BJOGINHVVTVSET-CQSZACIVSA-N 1 0 298.770 1.166 20 10 CDCDRO Oc1cccc(Br)c1CNC[C@@H]1CC[NH2+]1 ZINC001580888431 1172566285 /nfs/dbraw/zinc/56/62/85/1172566285.db2.gz KYJHKBMWSJRITF-QMMMGPOBSA-N 1 0 271.158 1.606 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@H](C)C2)cc1OC ZINC000213809859 1175803233 /nfs/dbraw/zinc/80/32/33/1175803233.db2.gz HFKYQWUGJQFPCD-NXEZZACHSA-N 1 0 295.339 1.799 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825803628 1165737432 /nfs/dbraw/zinc/73/74/32/1165737432.db2.gz CZVOFDZNVVYNFF-JTQLQIEISA-N 1 0 259.733 1.451 20 10 CDCDRO c1nnn([C@@H]2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)n1 ZINC001173742367 912776071 /nfs/dbraw/zinc/77/60/71/912776071.db2.gz OBJGVUWWQYTQNC-LSDHHAIUSA-N 1 0 299.378 1.882 20 10 CDCDRO O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140055053 894749353 /nfs/dbraw/zinc/74/93/53/894749353.db2.gz FUOBPDPVOHDOTK-UHFFFAOYSA-N 1 0 291.282 1.291 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3ncc(N)cn3)cc2)CC1 ZINC001167434701 895685597 /nfs/dbraw/zinc/68/55/97/895685597.db2.gz SUBAYPDMGPZBLE-UHFFFAOYSA-N 1 0 298.394 1.423 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001140948211 898958783 /nfs/dbraw/zinc/95/87/83/898958783.db2.gz YHXBFUCTPUQVFV-LSDHHAIUSA-N 1 0 265.353 1.266 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001236175107 914735161 /nfs/dbraw/zinc/73/51/61/914735161.db2.gz YRNNWULBSTVTRZ-MRVPVSSYSA-N 1 0 276.258 1.824 20 10 CDCDRO [NH3+]Cc1cc(NCCc2cc(O)c(O)cc2O)ccn1 ZINC001168006636 905360948 /nfs/dbraw/zinc/36/09/48/905360948.db2.gz ZJFLAIODOAJAIU-UHFFFAOYSA-N 1 0 275.308 1.312 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000689551949 907774049 /nfs/dbraw/zinc/77/40/49/907774049.db2.gz GVYYXGHGQWJJHH-UHFFFAOYSA-N 1 0 272.732 1.833 20 10 CDCDRO C[NH+](C)C[C@H]1COCCN1Cc1cc(F)c(F)cc1O ZINC001142527436 908868931 /nfs/dbraw/zinc/86/89/31/908868931.db2.gz UTCUGKNEVOCYPW-NSHDSACASA-N 1 0 286.322 1.433 20 10 CDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2c(O)cccc2Cl)C1 ZINC001206422192 916373283 /nfs/dbraw/zinc/37/32/83/916373283.db2.gz CPIZFODHJOMAKD-IUCAKERBSA-N 1 0 258.724 1.917 20 10 CDCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204281866 916641087 /nfs/dbraw/zinc/64/10/87/916641087.db2.gz YHNQSEOCZLZXSK-DRZSPHRISA-N 1 0 291.347 1.871 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[NH2+]C(C)C)c1 ZINC000828667144 936382982 /nfs/dbraw/zinc/38/29/82/936382982.db2.gz NEPWRLQHWWHYMP-LLVKDONJSA-N 1 0 280.368 1.966 20 10 CDCDRO CC[N@@H+]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C ZINC001151037915 917081900 /nfs/dbraw/zinc/08/19/00/917081900.db2.gz ADPJOMYAEWJSPA-LLVKDONJSA-N 1 0 278.352 1.193 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182559231 917947954 /nfs/dbraw/zinc/94/79/54/917947954.db2.gz FFNWLJBNFJTPRR-AWEZNQCLSA-N 1 0 274.364 1.883 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c2ccccc2n1C ZINC001138252591 936501638 /nfs/dbraw/zinc/50/16/38/936501638.db2.gz MPIJXYARZZXGFD-SUMWQHHRSA-N 1 0 288.391 1.662 20 10 CDCDRO C[NH+](C)C1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495579 936542815 /nfs/dbraw/zinc/54/28/15/936542815.db2.gz YUSAONODCCXHJS-UHFFFAOYSA-N 1 0 275.396 1.269 20 10 CDCDRO C[NH+](C)C1(C)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138498908 936542837 /nfs/dbraw/zinc/54/28/37/936542837.db2.gz LYCPGXGKAYTNKH-UHFFFAOYSA-N 1 0 289.423 1.659 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205347281 919974727 /nfs/dbraw/zinc/97/47/27/919974727.db2.gz LUKPBQZDCJVAAU-HUUCEWRRSA-N 1 0 263.385 1.037 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001140617554 936731063 /nfs/dbraw/zinc/73/10/63/936731063.db2.gz TYQDAOWRRBIFCP-DGCLKSJQSA-N 1 0 253.317 1.853 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(CCCO)CC2)c1 ZINC001140619747 936731787 /nfs/dbraw/zinc/73/17/87/936731787.db2.gz MYRSBPJUKRWGAT-UHFFFAOYSA-N 1 0 264.369 1.201 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1 ZINC001140623539 936732088 /nfs/dbraw/zinc/73/20/88/936732088.db2.gz UIFWUSTVHIXVFH-WCQYABFASA-N 1 0 260.337 1.269 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1O ZINC001140744058 936748558 /nfs/dbraw/zinc/74/85/58/936748558.db2.gz KESDVNVIYHYBSY-PWSUYJOCSA-N 1 0 285.290 1.872 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1O ZINC001140744396 936749255 /nfs/dbraw/zinc/74/92/55/936749255.db2.gz WFJJGBKRTDTSMX-OSAQELSMSA-N 1 0 293.363 1.378 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(O)c(C)c2O)[C@H](C)C1 ZINC001140751007 936750142 /nfs/dbraw/zinc/75/01/42/936750142.db2.gz GLPSBRWJGWMSLI-LLVKDONJSA-N 1 0 264.369 1.932 20 10 CDCDRO CN1CC[C@@](O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000702603885 922576199 /nfs/dbraw/zinc/57/61/99/922576199.db2.gz ONAFPZNDDTWMAW-CYBMUJFWSA-N 1 0 270.760 1.202 20 10 CDCDRO Cc1ccc(C[NH+]2CC(N3CCOCC3)C2)c(O)c1 ZINC001140949516 936783131 /nfs/dbraw/zinc/78/31/31/936783131.db2.gz CRPVWMIUQCKAEJ-UHFFFAOYSA-N 1 0 262.353 1.217 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140954481 936783597 /nfs/dbraw/zinc/78/35/97/936783597.db2.gz UDOMCPCFJHYSPJ-CQSZACIVSA-N 1 0 262.353 1.753 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001140952320 936783849 /nfs/dbraw/zinc/78/38/49/936783849.db2.gz NCDZXRBLUHKAHG-HIFRSBDPSA-N 1 0 262.353 1.215 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC3(CN(C)C3)C2)c(OC)c1 ZINC001141030957 936795146 /nfs/dbraw/zinc/79/51/46/936795146.db2.gz SFDUVIBHYVDOON-UHFFFAOYSA-N 1 0 292.379 1.547 20 10 CDCDRO CC(C)(C)[N@@H+](Cc1cc(O)ccc1O)C[C@@H](O)CO ZINC001141156681 936821341 /nfs/dbraw/zinc/82/13/41/936821341.db2.gz QLPPTMBLVKXSRU-GFCCVEGCSA-N 1 0 269.341 1.052 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC001141160285 936822486 /nfs/dbraw/zinc/82/24/86/936822486.db2.gz VLYBAVDLCKEESL-GFCCVEGCSA-N 1 0 274.324 1.526 20 10 CDCDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(O)ccc2O)CCO1 ZINC001141163183 936823892 /nfs/dbraw/zinc/82/38/92/936823892.db2.gz TZDQWCCOGYAJFA-HNNXBMFYSA-N 1 0 294.395 1.640 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000858283939 928828469 /nfs/dbraw/zinc/82/84/69/928828469.db2.gz VHVCNCUBVSRSIJ-LBPRGKRZSA-N 1 0 291.395 1.983 20 10 CDCDRO COC(=O)c1c(C)c(OC)ccc1N(C)C(C)(C)C[NH3+] ZINC001170058957 929233545 /nfs/dbraw/zinc/23/35/45/929233545.db2.gz KFNRFDJEKFZIIX-UHFFFAOYSA-N 1 0 280.368 1.964 20 10 CDCDRO C[C@]1(CF)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499869 931858296 /nfs/dbraw/zinc/85/82/96/931858296.db2.gz NCXUOKGWAGRSSA-CYBMUJFWSA-N 1 0 255.289 1.985 20 10 CDCDRO C[N@H+](Cc1cccnc1)Cc1c(O)cc(O)cc1O ZINC001144500477 931860531 /nfs/dbraw/zinc/86/05/31/931860531.db2.gz USFDABIFFKGIIE-UHFFFAOYSA-N 1 0 260.293 1.830 20 10 CDCDRO OCC[C@@H]1CC12CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144503776 931863836 /nfs/dbraw/zinc/86/38/36/931863836.db2.gz CQGRUAUTKQHXFP-LLVKDONJSA-N 1 0 293.363 1.788 20 10 CDCDRO CN(C)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144508995 931873994 /nfs/dbraw/zinc/87/39/94/931873994.db2.gz GTECXHIQSKQZRH-JTQLQIEISA-N 1 0 266.341 1.329 20 10 CDCDRO Oc1cc(O)c(CN2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC001144509149 931874654 /nfs/dbraw/zinc/87/46/54/931874654.db2.gz MNUGXCASBDHCNG-UHFFFAOYSA-N 1 0 278.352 1.331 20 10 CDCDRO CCCC[NH+]1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144509571 931876080 /nfs/dbraw/zinc/87/60/80/931876080.db2.gz ZRXIMIYVDWHSTC-UHFFFAOYSA-N 1 0 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GSCTZHOMCLPVKA-QGZVFWFLSA-N 1 0 290.407 1.870 20 10 CDCDRO COc1cc(C)c(C[NH+]2CCC(CC(N)=O)CC2)c(O)c1 ZINC001308627065 956556680 /nfs/dbraw/zinc/55/66/80/956556680.db2.gz XTUDZLOGIZEARX-UHFFFAOYSA-N 1 0 292.379 1.797 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2=O)c1 ZINC001320609733 959273346 /nfs/dbraw/zinc/27/33/46/959273346.db2.gz JXVMIYVTHZZUTC-YGRLFVJLSA-N 1 0 290.363 1.815 20 10 CDCDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N)cc1 ZINC001335687191 959973371 /nfs/dbraw/zinc/97/33/71/959973371.db2.gz NUJGANDGDSGIST-NSHDSACASA-N 1 0 264.373 1.408 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001336225977 960261833 /nfs/dbraw/zinc/26/18/33/960261833.db2.gz UWTPEXNLEGZIIE-CABCVRRESA-N 1 0 288.395 1.695 20 10 CDCDRO CN1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1=O ZINC001324388020 961349212 /nfs/dbraw/zinc/34/92/12/961349212.db2.gz BRMGHDHLZCAWDC-MRXNPFEDSA-N 1 0 287.407 1.949 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(O)c1 ZINC001341824567 963552866 /nfs/dbraw/zinc/55/28/66/963552866.db2.gz JACWUQFQPOQVMB-CYZMBNFOSA-N 1 0 276.336 1.158 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccc(N)cc1)CC(C)(C)C ZINC001346210569 964990196 /nfs/dbraw/zinc/99/01/96/964990196.db2.gz VYFLZWBQUBJWCH-UHFFFAOYSA-N 1 0 263.385 1.863 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3F)cc2)CC1 ZINC001528572923 968878130 /nfs/dbraw/zinc/87/81/30/968878130.db2.gz XHFSDOHSUYAZII-HUUCEWRRSA-N 1 0 291.370 1.413 20 10 CDCDRO C[NH2+][C@H](CNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC001354893709 968949522 /nfs/dbraw/zinc/94/95/22/968949522.db2.gz NOAXVORZXGRZRK-KRWDZBQOSA-N 1 0 297.402 1.758 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594261379 999009810 /nfs/dbraw/zinc/00/98/10/999009810.db2.gz NOWANORHBINAQP-SCVCMEIPSA-N 1 0 278.352 1.882 20 10 CDCDRO CC(=O)c1cc(F)cc(CN[C@H](C[NH3+])C(F)(F)F)c1O ZINC001575033585 1171089755 /nfs/dbraw/zinc/08/97/55/1171089755.db2.gz SCQCULJBLKTAGC-SNVBAGLBSA-N 1 0 294.248 1.713 20 10 CDCDRO COc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC000070075174 1171641411 /nfs/dbraw/zinc/64/14/11/1171641411.db2.gz UZXCVFTVUSGHST-QWRGUYRKSA-N 1 0 250.342 1.583 20 10 CDCDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000295139986 199368378 /nfs/dbraw/zinc/36/83/78/199368378.db2.gz ZKXMSBMNSVWMOW-HNNXBMFYSA-N 1 0 297.326 1.543 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CC)CO)c1 ZINC000295190914 199396880 /nfs/dbraw/zinc/39/68/80/199396880.db2.gz XGIJDZQOSYFMIF-LBPRGKRZSA-N 1 0 253.342 1.994 20 10 CDCDRO CC[C@H](CO)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000293908456 358479761 /nfs/dbraw/zinc/47/97/61/358479761.db2.gz HVKWSFIKHAOWFF-GFCCVEGCSA-N 1 0 269.316 1.937 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000036795321 356884547 /nfs/dbraw/zinc/88/45/47/356884547.db2.gz MIRMYGNTVKUYMZ-WDEREUQCSA-N 1 0 250.342 1.876 20 10 CDCDRO CCNC(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179620943 357215499 /nfs/dbraw/zinc/21/54/99/357215499.db2.gz OSTVQCIBOTVBMT-UHFFFAOYSA-N 1 0 277.368 1.548 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000187538287 357777194 /nfs/dbraw/zinc/77/71/94/357777194.db2.gz XUGOJRHIONYXSR-OAHLLOKOSA-N 1 0 279.336 1.392 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H](C)O1 ZINC000188388279 357889682 /nfs/dbraw/zinc/88/96/82/357889682.db2.gz ONCKMIXZRIMSQN-WCQYABFASA-N 1 0 281.352 1.637 20 10 CDCDRO C[C@@H](O)C[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000188733588 357931864 /nfs/dbraw/zinc/93/18/64/357931864.db2.gz FBKXZBPYZCONDC-LLVKDONJSA-N 1 0 268.332 1.030 20 10 CDCDRO C[C@@H]1CN(Cc2ccccc2O)CC[N@@H+]1CC(C)(C)O ZINC000188897675 357949977 /nfs/dbraw/zinc/94/99/77/357949977.db2.gz OURZCNNFUSZCPM-CYBMUJFWSA-N 1 0 278.396 1.669 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](O)C(C)C)c1O ZINC000134698213 361637340 /nfs/dbraw/zinc/63/73/40/361637340.db2.gz LPFVKXIGVONVGP-GFCCVEGCSA-N 1 0 253.342 1.897 20 10 CDCDRO CC(=O)N1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000271183053 364964287 /nfs/dbraw/zinc/96/42/87/364964287.db2.gz LVYYXJHMVDZOKN-ZDUSSCGKSA-N 1 0 275.396 1.805 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000271840700 365000478 /nfs/dbraw/zinc/00/04/78/365000478.db2.gz QQGJYHJFCFKVMQ-LLVKDONJSA-N 1 0 279.258 1.804 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1cc2c(cc1O)CCCC2 ZINC000530221019 368150400 /nfs/dbraw/zinc/15/04/00/368150400.db2.gz BUPCVIMVZIYDAK-WFASDCNBSA-N 1 0 290.407 1.910 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1cc(Cl)ccc1O ZINC000530226375 368151418 /nfs/dbraw/zinc/15/14/18/368151418.db2.gz OWVINMBZQYCJSM-GXSJLCMTSA-N 1 0 270.760 1.685 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2)c(O)c1 ZINC000530228163 368151470 /nfs/dbraw/zinc/15/14/70/368151470.db2.gz YCUHKWLPBQQEPF-NWDGAFQWSA-N 1 0 250.342 1.340 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000285567701 368643148 /nfs/dbraw/zinc/64/31/48/368643148.db2.gz TVCREAWKQALRNU-UHFFFAOYSA-N 1 0 283.393 1.839 20 10 CDCDRO COC(=O)CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000057460999 375507082 /nfs/dbraw/zinc/50/70/82/375507082.db2.gz KSIJZQNZSKHRDZ-UHFFFAOYSA-N 1 0 278.352 1.380 20 10 CDCDRO CN1C(=O)CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1=O ZINC000158803144 685016940 /nfs/dbraw/zinc/01/69/40/685016940.db2.gz IEZYJIWHVCJYTJ-JTQLQIEISA-N 1 0 282.727 1.283 20 10 CDCDRO CCCOc1ccc(C[N@H+](CCO)CCOC)c(O)c1 ZINC000093006037 390898799 /nfs/dbraw/zinc/89/87/99/390898799.db2.gz ACAIOGCTRKKGPQ-UHFFFAOYSA-N 1 0 283.368 1.622 20 10 CDCDRO COCC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)C(N)=O ZINC000093137977 390900233 /nfs/dbraw/zinc/90/02/33/390900233.db2.gz JFQJDKXEEHFEMZ-GFCCVEGCSA-N 1 0 280.368 1.331 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000093817928 390904900 /nfs/dbraw/zinc/90/49/00/390904900.db2.gz YUBHFKRTUWZELO-OAHLLOKOSA-N 1 0 290.407 1.855 20 10 CDCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000181564132 391224510 /nfs/dbraw/zinc/22/45/10/391224510.db2.gz WZEFGAWLCPBAGY-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO CCOCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179556229 391210786 /nfs/dbraw/zinc/21/07/86/391210786.db2.gz CTZDARHLIVOVDH-UHFFFAOYSA-N 1 0 264.369 1.546 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)[C@@H]2CCNC2=O)c1O ZINC000281895806 391421149 /nfs/dbraw/zinc/42/11/49/391421149.db2.gz YQFWKAXMDAXICL-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363245 173153108 /nfs/dbraw/zinc/15/31/08/173153108.db2.gz VMLJXUCBCVIKFZ-ZDUSSCGKSA-N 1 0 260.337 1.380 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COCCO2)c1 ZINC000038060298 174070918 /nfs/dbraw/zinc/07/09/18/174070918.db2.gz REUJDEVGAMGEQX-JQWIXIFHSA-N 1 0 267.325 1.467 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccccc1O ZINC000036933247 260052966 /nfs/dbraw/zinc/05/29/66/260052966.db2.gz DWJRVQMBGSEXHD-QWHCGFSZSA-N 1 0 264.369 1.764 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000146559694 260959031 /nfs/dbraw/zinc/95/90/31/260959031.db2.gz AYAJVYSQYHJJIM-UHFFFAOYSA-N 1 0 275.396 1.711 20 10 CDCDRO CCOc1cccc(C[NH2+][C@]2(CO)CCOC2)c1O ZINC000184190266 262271964 /nfs/dbraw/zinc/27/19/64/262271964.db2.gz AKEZPFXIMGSHQO-AWEZNQCLSA-N 1 0 267.325 1.032 20 10 CDCDRO CC(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000184922040 262300253 /nfs/dbraw/zinc/30/02/53/262300253.db2.gz PGUMQULXHPIIIK-VIFPVBQESA-N 1 0 254.305 1.708 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)C(=O)N(C)CC)c1O ZINC000188482922 263960412 /nfs/dbraw/zinc/96/04/12/263960412.db2.gz XVSYMIAAOHTXQO-LLVKDONJSA-N 1 0 280.368 1.747 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C)C[NH2+]C1 ZINC000584353877 328734809 /nfs/dbraw/zinc/73/48/09/328734809.db2.gz SOOKSYVUAMVTDI-UHFFFAOYSA-N 1 0 275.352 1.088 20 10 CDCDRO Cc1ccc(O)c(CN2CCOC[C@@H]2C[NH+](C)C)c1 ZINC001140622570 1159187654 /nfs/dbraw/zinc/18/76/54/1159187654.db2.gz AIDMGCWTBSEKOD-AWEZNQCLSA-N 1 0 264.369 1.463 20 10 CDCDRO COc1ccc(O)c(CN[C@@H](C)c2ncnn2C)c1 ZINC000789595593 687546830 /nfs/dbraw/zinc/54/68/30/687546830.db2.gz WGXZLWNZYVAHBV-VIFPVBQESA-N 1 0 262.313 1.380 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000372370119 521344962 /nfs/dbraw/zinc/34/49/62/521344962.db2.gz SBJQVGICNYKQAU-ZDUSSCGKSA-N 1 0 288.351 1.829 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193693979 521370955 /nfs/dbraw/zinc/37/09/55/521370955.db2.gz IVGFXLPJLQSBPU-GWCFXTLKSA-N 1 0 278.352 1.405 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2ccccc2O)C1 ZINC000277724813 521652643 /nfs/dbraw/zinc/65/26/43/521652643.db2.gz NYPDWZQAJHKCBZ-UHFFFAOYSA-N 1 0 251.326 1.412 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276548157 521848675 /nfs/dbraw/zinc/84/86/75/521848675.db2.gz JYOZZPODKLHDNB-VIFPVBQESA-N 1 0 282.315 1.261 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278200148 521872862 /nfs/dbraw/zinc/87/28/62/521872862.db2.gz IVUZQQRUTOOXLO-JTQLQIEISA-N 1 0 282.296 1.266 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1cccc(OC)c1O ZINC000291222619 521994317 /nfs/dbraw/zinc/99/43/17/521994317.db2.gz JONDIJBWVRNLIS-ZDUSSCGKSA-N 1 0 281.352 1.638 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H]1CCCO1 ZINC000278726647 522364852 /nfs/dbraw/zinc/36/48/52/522364852.db2.gz UAZWACWRSIFOQN-OLZOCXBDSA-N 1 0 281.352 1.684 20 10 CDCDRO CC[C@@H]([NH2+]CCS(=O)(=O)NC)c1ccc(C)cc1O ZINC000280082925 522838565 /nfs/dbraw/zinc/83/85/65/522838565.db2.gz LVPFZEKWQOPVTB-GFCCVEGCSA-N 1 0 286.397 1.291 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000264653338 523866213 /nfs/dbraw/zinc/86/62/13/523866213.db2.gz XLLRRLMRWYETEJ-CYBMUJFWSA-N 1 0 280.368 1.211 20 10 CDCDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2O)CCC1 ZINC000275523576 524036487 /nfs/dbraw/zinc/03/64/87/524036487.db2.gz VUACSWVDFVAYSS-UHFFFAOYSA-N 1 0 277.368 1.676 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000074371780 524068974 /nfs/dbraw/zinc/06/89/74/524068974.db2.gz XFGVKRDVHJHMNY-UHFFFAOYSA-N 1 0 287.157 1.380 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000280468147 524089690 /nfs/dbraw/zinc/08/96/90/524089690.db2.gz YFTWUBJCDDKZAF-INIZCTEOSA-N 1 0 276.380 1.967 20 10 CDCDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000237498231 524089859 /nfs/dbraw/zinc/08/98/59/524089859.db2.gz KQANHYSAOIAMRQ-ZDUSSCGKSA-N 1 0 275.396 1.659 20 10 CDCDRO C[C@@H](CC[NH+](C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000276549793 524472757 /nfs/dbraw/zinc/47/27/57/524472757.db2.gz KFGPKAICSMMUOU-QMMMGPOBSA-N 1 0 270.304 1.307 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000279352446 524732799 /nfs/dbraw/zinc/73/27/99/524732799.db2.gz GGXTWTPSHLIQIS-CYBMUJFWSA-N 1 0 294.395 1.553 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1C ZINC000291814158 525318129 /nfs/dbraw/zinc/31/81/29/525318129.db2.gz DEENUKYJBCXQHY-CYBMUJFWSA-N 1 0 297.420 1.876 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000130869961 525340299 /nfs/dbraw/zinc/34/02/99/525340299.db2.gz ITYJSZBQVGCJNQ-APPDUMDISA-N 1 0 255.383 1.899 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCOC3=O)c1 ZINC000190043819 525343318 /nfs/dbraw/zinc/34/33/18/525343318.db2.gz AGKUMGXASHRBEG-HNNXBMFYSA-N 1 0 261.321 1.982 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280305115 525349928 /nfs/dbraw/zinc/34/99/28/525349928.db2.gz NYXFYEVFMVBJKY-GXTWGEPZSA-N 1 0 265.353 1.435 20 10 CDCDRO COc1cccc(CN(C)CC[N@H+](C)C2CC2)c1O ZINC000290290636 525912567 /nfs/dbraw/zinc/91/25/67/525912567.db2.gz AJVMSUTXFFTYDB-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO Oc1ccc(-c2ccccc2)cc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278375599 526338516 /nfs/dbraw/zinc/33/85/16/526338516.db2.gz LDUNBEABWGCGJP-IAGOWNOFSA-N 1 0 285.343 1.597 20 10 CDCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279659045 526687300 /nfs/dbraw/zinc/68/73/00/526687300.db2.gz CDXBWWPEDUFJRL-GFCCVEGCSA-N 1 0 276.336 1.341 20 10 CDCDRO C[C@H](NC(=O)C[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000727309566 574578783 /nfs/dbraw/zinc/57/87/83/574578783.db2.gz AVPIBQCHULLCSV-ZDUSSCGKSA-N 1 0 291.395 1.262 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000732668217 575093497 /nfs/dbraw/zinc/09/34/97/575093497.db2.gz DAIURWIGAXUHIP-CQSZACIVSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOCC[N@H+](CC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768450115 575131400 /nfs/dbraw/zinc/13/14/00/575131400.db2.gz IDIXZHZGUNUVQA-CQSZACIVSA-N 1 0 281.352 1.676 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)OCCO2 ZINC000768240332 576266497 /nfs/dbraw/zinc/26/64/97/576266497.db2.gz UENMZZXCLRQJJB-UHFFFAOYSA-N 1 0 279.336 1.740 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768447069 576284169 /nfs/dbraw/zinc/28/41/69/576284169.db2.gz QRCNXUNZDWQDFV-WFASDCNBSA-N 1 0 292.379 1.344 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000743638985 576648735 /nfs/dbraw/zinc/64/87/35/576648735.db2.gz TXDKJZPSVDYLRB-RKDXNWHRSA-N 1 0 254.355 1.666 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccco1)OCO2 ZINC000747097486 576858657 /nfs/dbraw/zinc/85/86/57/576858657.db2.gz FEBXDMUNPWTMMH-LLVKDONJSA-N 1 0 277.276 1.537 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000754747785 576913530 /nfs/dbraw/zinc/91/35/30/576913530.db2.gz CGPALGFIDNPQFG-UHFFFAOYSA-N 1 0 280.368 1.667 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c(O)c1 ZINC000756492021 576991982 /nfs/dbraw/zinc/99/19/82/576991982.db2.gz YTTZQGOAZDFPDQ-ZDUSSCGKSA-N 1 0 291.395 1.125 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(C)C2)c2c1c(F)ccc2O ZINC000756524603 576993738 /nfs/dbraw/zinc/99/37/38/576993738.db2.gz HOPRLCIFOBKOBH-YWVKMMECSA-N 1 0 278.327 1.900 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1C ZINC000756992593 577019126 /nfs/dbraw/zinc/01/91/26/577019126.db2.gz SMPBQIKOEBCTQQ-CQSZACIVSA-N 1 0 275.352 1.560 20 10 CDCDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(F)ccc1O ZINC000757658576 577048944 /nfs/dbraw/zinc/04/89/44/577048944.db2.gz HXRAJMWJFPNXNA-HZMBPMFUSA-N 1 0 283.343 1.969 20 10 CDCDRO C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000819895514 598182425 /nfs/dbraw/zinc/18/24/25/598182425.db2.gz LZFJKKXJDXSSBA-ZDUSSCGKSA-N 1 0 291.395 1.343 20 10 CDCDRO CC[N@H+](CCOC)Cc1ccc(OC)c(OC)c1O ZINC000891584753 617491505 /nfs/dbraw/zinc/49/15/05/617491505.db2.gz VIHGCISKTILMNY-UHFFFAOYSA-N 1 0 269.341 1.878 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000892578088 617516559 /nfs/dbraw/zinc/51/65/59/617516559.db2.gz PDICFLMXYXOMOY-DCAQKATOSA-N 1 0 293.367 1.498 20 10 CDCDRO COc1ccc(C[N@H+](C)C[C@H]2CCOC2)c(O)c1OC ZINC000892178755 617531367 /nfs/dbraw/zinc/53/13/67/617531367.db2.gz CZHWKWXCLBNONX-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C[NH+](C)C)CC1 ZINC000935945005 617596419 /nfs/dbraw/zinc/59/64/19/617596419.db2.gz HLZIRSYMOPRNAU-UHFFFAOYSA-N 1 0 297.395 1.836 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000934036035 617883827 /nfs/dbraw/zinc/88/38/27/617883827.db2.gz YBTNZNWFTAOQBR-GDBMZVCRSA-N 1 0 278.396 1.955 20 10 CDCDRO COC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892443881 618210801 /nfs/dbraw/zinc/21/08/01/618210801.db2.gz LNKOXYJNORHXGT-SECBINFHSA-N 1 0 255.314 1.534 20 10 CDCDRO COc1ccc(C[NH2+][C@]2(CCO)CCOC2)c(O)c1OC ZINC000894069626 618351023 /nfs/dbraw/zinc/35/10/23/618351023.db2.gz DRTHJIABGBBWEI-OAHLLOKOSA-N 1 0 297.351 1.041 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CCO)C2CC2)c1O ZINC000894295720 618521432 /nfs/dbraw/zinc/52/14/32/618521432.db2.gz JEXABEVKRLODMD-ZDUSSCGKSA-N 1 0 265.353 1.960 20 10 CDCDRO C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841103254 618682929 /nfs/dbraw/zinc/68/29/29/618682929.db2.gz FHAAPXUZZHZRHP-UHFFFAOYSA-N 1 0 287.747 1.995 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894361160 618820668 /nfs/dbraw/zinc/82/06/68/618820668.db2.gz DVSOGGSIKIQWLD-STQMWFEESA-N 1 0 292.379 1.714 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC(C)(C)O)c1O ZINC000894491753 618917187 /nfs/dbraw/zinc/91/71/87/618917187.db2.gz RWCPPQAVULBWFE-UHFFFAOYSA-N 1 0 253.342 1.960 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894540095 618950474 /nfs/dbraw/zinc/95/04/74/618950474.db2.gz BVXQECZPCWJEBB-UHFFFAOYSA-N 1 0 294.351 1.640 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1O ZINC000894595322 618986548 /nfs/dbraw/zinc/98/65/48/618986548.db2.gz OHMJOLYWGLUMEX-XHDPSFHLSA-N 1 0 281.352 1.339 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC2(O)CCOCC2)c1O ZINC000894741547 619040987 /nfs/dbraw/zinc/04/09/87/619040987.db2.gz PUQGYEKBPLDVIR-UHFFFAOYSA-N 1 0 295.379 1.730 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)CCF)c(O)c1OC ZINC000895177099 619425117 /nfs/dbraw/zinc/42/51/17/619425117.db2.gz FLBXXMDWSCRXNM-SNVBAGLBSA-N 1 0 273.304 1.220 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1Cl ZINC000895326210 619564570 /nfs/dbraw/zinc/56/45/70/619564570.db2.gz VZWLMOBAKHAJKE-RISCZKNCSA-N 1 0 285.771 1.672 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895403090 619651853 /nfs/dbraw/zinc/65/18/53/619651853.db2.gz FAXPHWJSUGDKJR-UHFFFAOYSA-N 1 0 298.339 1.197 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000895750355 619826718 /nfs/dbraw/zinc/82/67/18/619826718.db2.gz ZSXAGSFWIUGRDI-CABCVRRESA-N 1 0 279.380 1.974 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000896962598 620326561 /nfs/dbraw/zinc/32/65/61/620326561.db2.gz OKQZOTATNAJKOW-GFCCVEGCSA-N 1 0 279.336 1.786 20 10 CDCDRO CCOc1cccc(CN2CCC[C@H]([NH3+])C2)c1O ZINC000041027803 621614629 /nfs/dbraw/zinc/61/46/29/621614629.db2.gz QVBDFTZBRUMVHH-LBPRGKRZSA-N 1 0 250.342 1.714 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@H]2CNCCO2)ccc1OC ZINC000841098089 630553018 /nfs/dbraw/zinc/55/30/18/630553018.db2.gz BXYVRJJHEHTHSJ-OAHLLOKOSA-N 1 0 294.395 1.310 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)[C@H](CO)SC)c1O ZINC000152437366 631045666 /nfs/dbraw/zinc/04/56/66/631045666.db2.gz ALSVUEXSBVMSPG-SKDRFNHKSA-N 1 0 271.382 1.603 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1O ZINC000153862987 631921552 /nfs/dbraw/zinc/92/15/52/631921552.db2.gz IKGJIZDNYBLQJY-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c1O ZINC000153901251 631939868 /nfs/dbraw/zinc/93/98/68/631939868.db2.gz FMAJZOOIRGCWKN-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000155043558 632649182 /nfs/dbraw/zinc/64/91/82/632649182.db2.gz WLKCEYUXPCSTPR-VIFPVBQESA-N 1 0 268.744 1.743 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843489493 685340893 /nfs/dbraw/zinc/34/08/93/685340893.db2.gz FLFLCWRGFNATTE-FOLVSLTJSA-N 1 0 286.375 1.353 20 10 CDCDRO CN(C)c1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000881271992 685362473 /nfs/dbraw/zinc/36/24/73/685362473.db2.gz IOXXCLIBGBNZQU-AWEZNQCLSA-N 1 0 285.395 1.544 20 10 CDCDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C ZINC000781001864 685398150 /nfs/dbraw/zinc/39/81/50/685398150.db2.gz QMVMLMUJYBWVGH-RYUDHWBXSA-N 1 0 292.379 1.961 20 10 CDCDRO CN(C)c1cc(F)c(CN2CCC(C(N)=O)CC2)cc1F ZINC000862212971 685452842 /nfs/dbraw/zinc/45/28/42/685452842.db2.gz YSDYWTKAAOZRMT-UHFFFAOYSA-N 1 0 297.349 1.728 20 10 CDCDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007795247 685456384 /nfs/dbraw/zinc/45/63/84/685456384.db2.gz YLTKASHSXLYLAG-GFCCVEGCSA-N 1 0 293.367 1.313 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000865737024 685471094 /nfs/dbraw/zinc/47/10/94/685471094.db2.gz ZGPUMEOMWJZPAR-JSGCOSHPSA-N 1 0 251.326 1.794 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(O)c1 ZINC000793389630 685584881 /nfs/dbraw/zinc/58/48/81/685584881.db2.gz KWGPQQVQIJWTLX-HNNXBMFYSA-N 1 0 278.352 1.488 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CC(C(C)(C)O)C1 ZINC000839139507 685598569 /nfs/dbraw/zinc/59/85/69/685598569.db2.gz HIJADGHINDIVKG-UHFFFAOYSA-N 1 0 251.326 1.604 20 10 CDCDRO Cc1cccnc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267619 685607351 /nfs/dbraw/zinc/60/73/51/685607351.db2.gz XWBRQHMDXXOXJL-OAHLLOKOSA-N 1 0 298.390 1.886 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2COC[C@@H]2OC)c1O ZINC000848917873 685625748 /nfs/dbraw/zinc/62/57/48/685625748.db2.gz ZFZRYFCAJRFFPG-OLZOCXBDSA-N 1 0 251.326 1.458 20 10 CDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000237931599 684313393 /nfs/dbraw/zinc/31/33/93/684313393.db2.gz GRIGSCXRNPDICE-UHFFFAOYSA-N 1 0 291.420 1.347 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1 ZINC000036794391 684356123 /nfs/dbraw/zinc/35/61/23/684356123.db2.gz ABBNFGIPYQAQHJ-GHMZBOCLSA-N 1 0 250.342 1.828 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1 ZINC000704374469 684424262 /nfs/dbraw/zinc/42/42/62/684424262.db2.gz AADHTQRVPBFIKS-GWCFXTLKSA-N 1 0 278.352 1.672 20 10 CDCDRO CCOc1ccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)c(O)c1 ZINC000843119941 684431327 /nfs/dbraw/zinc/43/13/27/684431327.db2.gz PIWLZBFBCCSSBN-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883087938 684482186 /nfs/dbraw/zinc/48/21/86/684482186.db2.gz NGYSWNIBTCFEFI-CHWSQXEVSA-N 1 0 287.306 1.954 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617130 684490514 /nfs/dbraw/zinc/49/05/14/684490514.db2.gz KTXIUPQKZAYRGY-IUCAKERBSA-N 1 0 254.305 1.707 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000836620320 684497789 /nfs/dbraw/zinc/49/77/89/684497789.db2.gz BMERDSVANYYODY-WDEREUQCSA-N 1 0 295.383 1.711 20 10 CDCDRO Fc1cc(C[NH2+]C2CSC2)ccc1N1CCOCC1 ZINC000780873777 684519785 /nfs/dbraw/zinc/51/97/85/684519785.db2.gz WRRMZDSIMYBRII-UHFFFAOYSA-N 1 0 282.384 1.867 20 10 CDCDRO CCN(C)c1ccc(C[NH+]2CCC(O)(CO)CC2)cc1 ZINC000852500146 684523032 /nfs/dbraw/zinc/52/30/32/684523032.db2.gz IJFBEAJHQVJRPW-UHFFFAOYSA-N 1 0 278.396 1.462 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2cc(F)ccc2O)CCCO1 ZINC000313345633 684525222 /nfs/dbraw/zinc/52/52/22/684525222.db2.gz RFNLDCLHYCNXBY-GFCCVEGCSA-N 1 0 254.305 1.081 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000394590195 684547569 /nfs/dbraw/zinc/54/75/69/684547569.db2.gz IDZKMTRLWNKBOY-RISCZKNCSA-N 1 0 253.342 1.749 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841828105 684563835 /nfs/dbraw/zinc/56/38/35/684563835.db2.gz QZQFEZHJVTUQCQ-AWEZNQCLSA-N 1 0 290.411 1.612 20 10 CDCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921862776 684567994 /nfs/dbraw/zinc/56/79/94/684567994.db2.gz NQUPKMNLBZSGPQ-CQSZACIVSA-N 1 0 295.404 1.678 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)c2cnn(C)c2)cc1Cl ZINC000825326063 684572948 /nfs/dbraw/zinc/57/29/48/684572948.db2.gz MGBSFZNAXCFGIU-AWEZNQCLSA-N 1 0 295.770 1.911 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CNC(N)=O)cc2F)CC1 ZINC000106512247 684588186 /nfs/dbraw/zinc/58/81/86/684588186.db2.gz YZHWSRBLSBXBKP-UHFFFAOYSA-N 1 0 280.347 1.136 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848394295 684589447 /nfs/dbraw/zinc/58/94/47/684589447.db2.gz JMAPSALUQLBWSE-GDBMZVCRSA-N 1 0 273.380 1.317 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1 ZINC000089752066 684602935 /nfs/dbraw/zinc/60/29/35/684602935.db2.gz RDTRPYAQZIMGHC-GXFFZTMASA-N 1 0 275.352 1.208 20 10 CDCDRO Cc1ccc(C[NH2+]CCN2CCO[C@H](C)C2)c(O)c1 ZINC000877021179 684639804 /nfs/dbraw/zinc/63/98/04/684639804.db2.gz RTIMMUSAUNQONO-CYBMUJFWSA-N 1 0 264.369 1.511 20 10 CDCDRO O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCSC1 ZINC000304682154 684666351 /nfs/dbraw/zinc/66/63/51/684666351.db2.gz ZVYSKBLMJVYDCO-CQSZACIVSA-N 1 0 265.378 1.579 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CO)C2CC2)cc1OC ZINC000776176642 684678923 /nfs/dbraw/zinc/67/89/23/684678923.db2.gz ALHUOUPGDGOPCV-LLVKDONJSA-N 1 0 267.325 1.270 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C2(CO)CCOCC2)cc1Cl ZINC000825278021 684687802 /nfs/dbraw/zinc/68/78/02/684687802.db2.gz IXERCOXSXCBILU-UHFFFAOYSA-N 1 0 285.771 1.985 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccccc1O ZINC000702572712 684709828 /nfs/dbraw/zinc/70/98/28/684709828.db2.gz IKZNFFOATRQMCV-BXUZGUMPSA-N 1 0 250.342 1.109 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841857937 684716381 /nfs/dbraw/zinc/71/63/81/684716381.db2.gz RPTPMPJNNMNEMK-VIFPVBQESA-N 1 0 288.442 1.662 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2CO)cc1F ZINC000862232692 684719581 /nfs/dbraw/zinc/71/95/81/684719581.db2.gz HVYABNKJQMZHAQ-NSHDSACASA-N 1 0 270.323 1.988 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C3(C(N)=O)CC3)CC2)cc1 ZINC000792174409 684721622 /nfs/dbraw/zinc/72/16/22/684721622.db2.gz VFZHVKRXWYGLFB-UHFFFAOYSA-N 1 0 289.379 1.272 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000841823843 684755218 /nfs/dbraw/zinc/75/52/18/684755218.db2.gz HWFURAMTZOPSCZ-ZDUSSCGKSA-N 1 0 290.411 1.564 20 10 CDCDRO NC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816521330 684798841 /nfs/dbraw/zinc/79/88/41/684798841.db2.gz MPOQVLQCYDTMJC-QMMMGPOBSA-N 1 0 287.722 1.427 20 10 CDCDRO C[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882427 684808697 /nfs/dbraw/zinc/80/86/97/684808697.db2.gz YXMGYFDCIBHHBC-ZOODHJKOSA-N 1 0 290.411 1.945 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H](CO)CC(F)F ZINC000883104096 684820494 /nfs/dbraw/zinc/82/04/94/684820494.db2.gz OZMNZHQOPLIMLI-MRVPVSSYSA-N 1 0 261.268 1.507 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000876780532 684828776 /nfs/dbraw/zinc/82/87/76/684828776.db2.gz HBUHWGCKWXBOSF-GFCCVEGCSA-N 1 0 262.353 1.788 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846696344 684859709 /nfs/dbraw/zinc/85/97/09/684859709.db2.gz FNQYJNUCLAAPJS-CYBMUJFWSA-N 1 0 293.411 1.445 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCCSc1nccs1 ZINC000182992834 684869039 /nfs/dbraw/zinc/86/90/39/684869039.db2.gz YYMVMVSNLNJHSO-VIFPVBQESA-N 1 0 294.467 1.648 20 10 CDCDRO C[NH+](C)C1(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000842272229 684872104 /nfs/dbraw/zinc/87/21/04/684872104.db2.gz UOBPTGAJTSNURF-UHFFFAOYSA-N 1 0 268.288 1.061 20 10 CDCDRO COCCCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649671 684882930 /nfs/dbraw/zinc/88/29/30/684882930.db2.gz SEKKZKSZGIKYGS-LLVKDONJSA-N 1 0 266.341 1.196 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000840833162 684886097 /nfs/dbraw/zinc/88/60/97/684886097.db2.gz LPTOZEOQWXCXIE-SWLSCSKDSA-N 1 0 275.396 1.929 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc(F)ccc1O ZINC000717363407 684888481 /nfs/dbraw/zinc/88/84/81/684888481.db2.gz CJKIUXNGKVRXIM-KOLCDFICSA-N 1 0 256.321 1.104 20 10 CDCDRO C[NH2+][C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843045457 684913257 /nfs/dbraw/zinc/91/32/57/684913257.db2.gz RUGDLZCCYLNGKY-AWEZNQCLSA-N 1 0 293.386 1.456 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817980853 684968324 /nfs/dbraw/zinc/96/83/24/684968324.db2.gz FBOPDOODSKXVCE-CMPLNLGQSA-N 1 0 295.339 1.330 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000834886683 685023632 /nfs/dbraw/zinc/02/36/32/685023632.db2.gz FGJJIBBIVMFXRE-ZNMIVQPWSA-N 1 0 288.391 1.832 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C(N)=O)c1O ZINC000228677221 685040370 /nfs/dbraw/zinc/04/03/70/685040370.db2.gz VIHASKMVFVVQMP-ZCFIWIBFSA-N 1 0 258.705 1.018 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000311014947 685049333 /nfs/dbraw/zinc/04/93/33/685049333.db2.gz BAHWQLOMBNTXDY-UHFFFAOYSA-N 1 0 291.800 1.958 20 10 CDCDRO CC[NH+]1CCC(NC(=O)CN(C)c2ccc(N)cc2)CC1 ZINC000863558453 685113230 /nfs/dbraw/zinc/11/32/30/685113230.db2.gz JIZICIZRQXODKU-UHFFFAOYSA-N 1 0 290.411 1.306 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C1CC1)c1ccccc1O ZINC000879649314 685702051 /nfs/dbraw/zinc/70/20/51/685702051.db2.gz NBWVFDBILBHYKX-DGCLKSJQSA-N 1 0 264.369 1.498 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccccc1O)C1CCS(=O)(=O)CC1 ZINC000779020720 685717739 /nfs/dbraw/zinc/71/77/39/685717739.db2.gz YURGMHHJBIUUCM-LLVKDONJSA-N 1 0 283.393 1.695 20 10 CDCDRO NC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000841027434 685735908 /nfs/dbraw/zinc/73/59/08/685735908.db2.gz BAWPSASUZCKWBH-LLVKDONJSA-N 1 0 285.185 1.982 20 10 CDCDRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1O ZINC000776008337 685764616 /nfs/dbraw/zinc/76/46/16/685764616.db2.gz QPKKKIBSWHSUTO-MCIONIFRSA-N 1 0 276.380 1.906 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(O)c1 ZINC000876654926 685766753 /nfs/dbraw/zinc/76/67/53/685766753.db2.gz UJUDKLCMGLTDQR-ZDUSSCGKSA-N 1 0 260.337 1.507 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000830085543 685814256 /nfs/dbraw/zinc/81/42/56/685814256.db2.gz INCYDOSAFWQPHV-CHWSQXEVSA-N 1 0 283.299 1.237 20 10 CDCDRO Cc1cccc(C[NH+]2CCC3(CCNC3=O)CC2)c1O ZINC000877782487 685832166 /nfs/dbraw/zinc/83/21/66/685832166.db2.gz BFOYYKYMAZMULR-UHFFFAOYSA-N 1 0 274.364 1.803 20 10 CDCDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876590642 685872551 /nfs/dbraw/zinc/87/25/51/685872551.db2.gz ZSCTWUFAGXRDHE-INIZCTEOSA-N 1 0 276.380 1.214 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1c(F)ccc(O)c1O ZINC000789963397 685885137 /nfs/dbraw/zinc/88/51/37/685885137.db2.gz MHIJIMAVMCBZER-QMMMGPOBSA-N 1 0 280.299 1.203 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000702638384 685929580 /nfs/dbraw/zinc/92/95/80/685929580.db2.gz YGSQJPZWHCTZDJ-SWLSCSKDSA-N 1 0 264.369 1.418 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842010856 685935286 /nfs/dbraw/zinc/93/52/86/685935286.db2.gz OTLAGWOVUJXZCW-WCQYABFASA-N 1 0 277.368 1.661 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)OC)c(O)c1 ZINC000858319806 685960909 /nfs/dbraw/zinc/96/09/09/685960909.db2.gz HTLXPHFRUMJJHP-JTQLQIEISA-N 1 0 282.340 1.289 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c1 ZINC000925737460 685967794 /nfs/dbraw/zinc/96/77/94/685967794.db2.gz IWDFTRWWGOWOCO-SNVBAGLBSA-N 1 0 280.368 1.957 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cccc(OCC)c1O ZINC000312877359 685979126 /nfs/dbraw/zinc/97/91/26/685979126.db2.gz LSZKZCZPNOCIFN-UHFFFAOYSA-N 1 0 280.368 1.795 20 10 CDCDRO CNC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2)CCCC1 ZINC000779176322 686028740 /nfs/dbraw/zinc/02/87/40/686028740.db2.gz KAMULYNTYPGVAT-UHFFFAOYSA-N 1 0 275.396 1.901 20 10 CDCDRO OC/C=C/C[NH2+]Cc1cc(Br)ccc1O ZINC000717524345 686159754 /nfs/dbraw/zinc/15/97/54/686159754.db2.gz CNTQQNLJMVRPDO-OWOJBTEDSA-N 1 0 272.142 1.793 20 10 CDCDRO C[C@H](CCO)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877614433 686181218 /nfs/dbraw/zinc/18/12/18/686181218.db2.gz DDJDDIJOWKAFFU-CQSZACIVSA-N 1 0 292.423 1.850 20 10 CDCDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000779431710 686185846 /nfs/dbraw/zinc/18/58/46/686185846.db2.gz BVAIMENJRZYZLH-UHFFFAOYSA-N 1 0 296.390 1.595 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)C2(CO)CC2)cc1OC ZINC000826990862 686246211 /nfs/dbraw/zinc/24/62/11/686246211.db2.gz OVKPMDMLFNKZED-SNVBAGLBSA-N 1 0 281.352 1.660 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000848884587 686249616 /nfs/dbraw/zinc/24/96/16/686249616.db2.gz NSZDXHSREYFDHG-OAHLLOKOSA-N 1 0 279.380 1.928 20 10 CDCDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000136827588 686334007 /nfs/dbraw/zinc/33/40/07/686334007.db2.gz BSBHCBFVARJZNG-WDEREUQCSA-N 1 0 279.336 1.714 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C1([NH+](C)C)CCC1 ZINC000158752268 686358157 /nfs/dbraw/zinc/35/81/57/686358157.db2.gz FXHXOKXIYZJKHM-UHFFFAOYSA-N 1 0 262.353 1.835 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000840943343 686362873 /nfs/dbraw/zinc/36/28/73/686362873.db2.gz NWBTULULSWGHIQ-HNNXBMFYSA-N 1 0 266.360 1.967 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000091138070 686363092 /nfs/dbraw/zinc/36/30/92/686363092.db2.gz UJCNXLFPWYGHQC-CYBMUJFWSA-N 1 0 293.436 1.464 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CCF)c1 ZINC000846097473 686394472 /nfs/dbraw/zinc/39/44/72/686394472.db2.gz PILMMEXHLIZKMA-ZJUUUORDSA-N 1 0 257.305 1.772 20 10 CDCDRO CC[C@@H](CO)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000929314677 686413437 /nfs/dbraw/zinc/41/34/37/686413437.db2.gz CRGIEMZWXJQBNQ-AWEZNQCLSA-N 1 0 278.396 1.978 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000848901566 686421417 /nfs/dbraw/zinc/42/14/17/686421417.db2.gz WCJAYZBHYKBCFT-ZDUSSCGKSA-N 1 0 274.364 1.808 20 10 CDCDRO COc1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC000128114520 1158784010 /nfs/dbraw/zinc/78/40/10/1158784010.db2.gz YDYSZOVFKUXQKN-CQSZACIVSA-N 1 0 280.368 1.163 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1 ZINC000835060877 686641581 /nfs/dbraw/zinc/64/15/81/686641581.db2.gz OQUJCOOMKJXQFR-OAHLLOKOSA-N 1 0 278.352 1.549 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779547414 686809484 /nfs/dbraw/zinc/80/94/84/686809484.db2.gz KNBZYLLEMCRSEV-ONYUAGEFSA-N 1 0 290.363 1.662 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+][C@@H](C)C2)c1O ZINC000088058605 686817745 /nfs/dbraw/zinc/81/77/45/686817745.db2.gz KFTHSQNJEUEJMY-NSHDSACASA-N 1 0 250.342 1.585 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000846168591 686827353 /nfs/dbraw/zinc/82/73/53/686827353.db2.gz SZRSWJKJUGSHIZ-SNVBAGLBSA-N 1 0 299.392 1.629 20 10 CDCDRO COC(=O)[C@@H](C)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844399434 686829329 /nfs/dbraw/zinc/82/93/29/686829329.db2.gz JCGCMWGOTHFXPO-GFCCVEGCSA-N 1 0 280.368 1.625 20 10 CDCDRO COc1cccc(C[N@@H+]2CCSC[C@@H]2CO)c1O ZINC000877779861 686874809 /nfs/dbraw/zinc/87/48/09/686874809.db2.gz GJNQNZIOJXOCCV-NSHDSACASA-N 1 0 269.366 1.311 20 10 CDCDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000857226388 686880054 /nfs/dbraw/zinc/88/00/54/686880054.db2.gz MTYLEFNJZAVLRM-IAQYHMDHSA-N 1 0 276.336 1.434 20 10 CDCDRO CN1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CCC1=O ZINC000862428298 686938690 /nfs/dbraw/zinc/93/86/90/686938690.db2.gz PDJUAUSDXNGYMA-NSHDSACASA-N 1 0 292.335 1.174 20 10 CDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000776868580 687024150 /nfs/dbraw/zinc/02/41/50/687024150.db2.gz IQXHETLBPIKTFF-DUVNUKRYSA-N 1 0 295.379 1.863 20 10 CDCDRO COC[C@@]1(CN[C@@H](C)c2ccc(F)cc2O)CCC[NH2+]1 ZINC000817973028 687036986 /nfs/dbraw/zinc/03/69/86/687036986.db2.gz BAYOTWRREKIORA-NHYWBVRUSA-N 1 0 282.359 1.951 20 10 CDCDRO COc1cccc(O)c1CN(C)CC[NH+]1CCCC1 ZINC000809737641 687067306 /nfs/dbraw/zinc/06/73/06/687067306.db2.gz KGEMFJADZMUEQV-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO [NH3+]C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843048840 687071017 /nfs/dbraw/zinc/07/10/17/687071017.db2.gz ZXQLSMNKQHDLPZ-MRVPVSSYSA-N 1 0 285.731 1.734 20 10 CDCDRO C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929185622 687078885 /nfs/dbraw/zinc/07/88/85/687078885.db2.gz WFJWGUSJQUSOOS-PBHICJAKSA-N 1 0 292.423 1.850 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCOCCO)cc1F ZINC000858087449 687088607 /nfs/dbraw/zinc/08/86/07/687088607.db2.gz FVTPWZVBEFAPTO-UHFFFAOYSA-N 1 0 274.311 1.129 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c1 ZINC000817983256 687114037 /nfs/dbraw/zinc/11/40/37/687114037.db2.gz LGISCAKTCMCQPL-NEPJUHHUSA-N 1 0 250.342 1.340 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccnc2)cc1 ZINC000832283766 687139229 /nfs/dbraw/zinc/13/92/29/687139229.db2.gz BEWKZFTXWRLAMC-HNNXBMFYSA-N 1 0 284.363 1.577 20 10 CDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000840957156 687143820 /nfs/dbraw/zinc/14/38/20/687143820.db2.gz GRLIAVFUHKNRRV-JTQLQIEISA-N 1 0 266.316 1.441 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c1 ZINC000711722450 687145973 /nfs/dbraw/zinc/14/59/73/687145973.db2.gz PNXNGPYRXOXSFD-PWSUYJOCSA-N 1 0 269.366 1.223 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c(O)c1C ZINC000858601662 687147716 /nfs/dbraw/zinc/14/77/16/687147716.db2.gz IDIZMRRPZUUKSW-KBPBESRZSA-N 1 0 278.396 1.726 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843054990 687154844 /nfs/dbraw/zinc/15/48/44/687154844.db2.gz BTFJPCCICQZYTR-QGZVFWFLSA-N 1 0 289.423 1.707 20 10 CDCDRO CC[N@H+](Cc1c(C)cccc1O)[C@@H](C)CS(C)(=O)=O ZINC000876735832 687161384 /nfs/dbraw/zinc/16/13/84/687161384.db2.gz ILHYJWRVEMINOE-LBPRGKRZSA-N 1 0 285.409 1.956 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCC(C)CC1 ZINC000187033424 687166397 /nfs/dbraw/zinc/16/63/97/687166397.db2.gz RRMHZCRSNOEPGM-LBPRGKRZSA-N 1 0 292.379 1.948 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)ccc1N(C)C ZINC000815101179 687233986 /nfs/dbraw/zinc/23/39/86/687233986.db2.gz PQIWKEVBVOMYGM-GDBMZVCRSA-N 1 0 278.396 1.236 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1 ZINC000817413527 687283686 /nfs/dbraw/zinc/28/36/86/687283686.db2.gz YSIAUBNGFMHLDU-ZDUSSCGKSA-N 1 0 265.353 1.672 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2cccc(C)c2O)CCOC1 ZINC000126979024 687304419 /nfs/dbraw/zinc/30/44/19/687304419.db2.gz KFSAWVYHPVIWTL-AWEZNQCLSA-N 1 0 251.326 1.596 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CC(=O)N(CC)C2)c1O ZINC000391550481 687318662 /nfs/dbraw/zinc/31/86/62/687318662.db2.gz SNAMRCHICGHSSM-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000830360739 687324231 /nfs/dbraw/zinc/32/42/31/687324231.db2.gz SOKULXIXVZUVLA-IUODEOHRSA-N 1 0 275.396 1.610 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)COCC(C)C ZINC000876966591 687327985 /nfs/dbraw/zinc/32/79/85/687327985.db2.gz WZDFLUAZAMJIAE-CYBMUJFWSA-N 1 0 267.369 1.824 20 10 CDCDRO COC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740666 687349370 /nfs/dbraw/zinc/34/93/70/687349370.db2.gz AFRAJVUELLFNPD-UHFFFAOYSA-N 1 0 263.341 1.294 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000846697820 687353592 /nfs/dbraw/zinc/35/35/92/687353592.db2.gz WSXMEVVZBUQABX-OAHLLOKOSA-N 1 0 291.395 1.342 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2O)c2c1c(F)ccc2O ZINC000834897960 687356430 /nfs/dbraw/zinc/35/64/30/687356430.db2.gz XSULCXBUFYLBEX-CKIYVRPFSA-N 1 0 267.300 1.429 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1ccccc1O ZINC000879648303 687361234 /nfs/dbraw/zinc/36/12/34/687361234.db2.gz JFKVURYSWUDBKK-OLZOCXBDSA-N 1 0 295.379 1.599 20 10 CDCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(C)c(C)cc1O ZINC000843122618 687381495 /nfs/dbraw/zinc/38/14/95/687381495.db2.gz DCFXCXYIUCESAE-CQSZACIVSA-N 1 0 292.379 1.346 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCCS(C)(=O)=O ZINC000822494159 687409747 /nfs/dbraw/zinc/40/97/47/687409747.db2.gz HLFAOOXNTVJODF-UHFFFAOYSA-N 1 0 298.452 1.975 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000841819790 687446134 /nfs/dbraw/zinc/44/61/34/687446134.db2.gz FUSGUYVMDFMRED-CQSZACIVSA-N 1 0 288.395 1.347 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000843060877 687471725 /nfs/dbraw/zinc/47/17/25/687471725.db2.gz QKUZKRKENVUJHM-UHFFFAOYSA-N 1 0 277.412 1.692 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1ccc(N(C)C)c(F)c1 ZINC000871603742 687522749 /nfs/dbraw/zinc/52/27/49/687522749.db2.gz FYWACOWENMHPQZ-UHFFFAOYSA-N 1 0 282.363 1.494 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000322670501 687599110 /nfs/dbraw/zinc/59/91/10/687599110.db2.gz FRFMXVWCRQPXLR-WDEREUQCSA-N 1 0 250.342 1.876 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)O ZINC000853121176 687677719 /nfs/dbraw/zinc/67/77/19/687677719.db2.gz AYHQVUNDQLCPPN-OLZOCXBDSA-N 1 0 278.396 1.507 20 10 CDCDRO COCC[NH2+]Cc1cc(Br)ccc1O ZINC000060942014 687720358 /nfs/dbraw/zinc/72/03/58/687720358.db2.gz OALMWHCUAVNLED-UHFFFAOYSA-N 1 0 260.131 1.891 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](CCO)C2CCN(C)CC2)cc1C ZINC000305180528 687985012 /nfs/dbraw/zinc/98/50/12/687985012.db2.gz HHRZXBOPIQTQIT-UHFFFAOYSA-N 1 0 292.423 1.898 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)C1 ZINC000886639675 688017722 /nfs/dbraw/zinc/01/77/22/688017722.db2.gz JHKUZCKVHDZKSK-MWLCHTKSSA-N 1 0 266.316 1.803 20 10 CDCDRO COc1c(O)c(C[NH2+]Cc2cc(C)n[nH]2)ccc1[N+](=O)[O-] ZINC000775023941 688033100 /nfs/dbraw/zinc/03/31/00/688033100.db2.gz OIGPSERDJVBDBW-UHFFFAOYSA-N 1 0 292.295 1.630 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000778193311 688056940 /nfs/dbraw/zinc/05/69/40/688056940.db2.gz ZKLDBUBTNUZFQI-OLZOCXBDSA-N 1 0 251.326 1.650 20 10 CDCDRO CN1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1=O ZINC000708409488 688062218 /nfs/dbraw/zinc/06/22/18/688062218.db2.gz QNUXOPSLSWVPJM-LLVKDONJSA-N 1 0 270.279 1.381 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922212627 688143790 /nfs/dbraw/zinc/14/37/90/688143790.db2.gz QZLNZHYYJCXZGK-UKRRQHHQSA-N 1 0 263.337 1.515 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c1 ZINC000717354928 688175637 /nfs/dbraw/zinc/17/56/37/688175637.db2.gz RNCIQEAZWWPKFZ-NWDGAFQWSA-N 1 0 252.358 1.274 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000717303327 688190361 /nfs/dbraw/zinc/19/03/61/688190361.db2.gz FOFYAODWLZHTQC-LLVKDONJSA-N 1 0 284.306 1.595 20 10 CDCDRO O=C(CNc1[nH+]ccc2c1CCN2)c1ccc(O)c(O)c1 ZINC001170316272 1162335811 /nfs/dbraw/zinc/33/58/11/1162335811.db2.gz FSLZJAZFGYUUHC-UHFFFAOYSA-N 1 0 285.303 1.756 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001170503034 1162663090 /nfs/dbraw/zinc/66/30/90/1162663090.db2.gz AKMUKSLWMKQURT-SUNKGSAMSA-N 1 0 295.335 1.063 20 10 CDCDRO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(C(=O)[O-])ccc1O ZINC001604341250 1163157295 /nfs/dbraw/zinc/15/72/95/1163157295.db2.gz OYORWRCAYBXERD-LLVKDONJSA-N 1 0 296.367 1.319 20 10 CDCDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001170098016 1162072997 /nfs/dbraw/zinc/07/29/97/1162072997.db2.gz JRHWIDNMMREMCX-CHIMOYNISA-N 1 0 251.326 1.909 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])c(O)c1 ZINC001605691501 1163643699 /nfs/dbraw/zinc/64/36/99/1163643699.db2.gz BZUVAPZLFGPAIV-CYBMUJFWSA-N 1 0 294.351 1.039 20 10 CDCDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000863937377 1164495669 /nfs/dbraw/zinc/49/56/69/1164495669.db2.gz AJZGKYLRKZGLBU-JTQLQIEISA-N 1 0 296.342 1.699 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c(Cl)c1 ZINC001205958983 1165019242 /nfs/dbraw/zinc/01/92/42/1165019242.db2.gz JKEWYSMXLYQXHX-ZIAGYGMSSA-N 1 0 283.803 1.300 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1O ZINC000035112682 1165642692 /nfs/dbraw/zinc/64/26/92/1165642692.db2.gz PFMVUJFQCSUEOM-OAHLLOKOSA-N 1 0 259.305 1.921 20 10 CDCDRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2c(O)cccc2O)cc1 ZINC001579668532 1172237957 /nfs/dbraw/zinc/23/79/57/1172237957.db2.gz IFYXRJIWQOMQTP-OAHLLOKOSA-N 1 0 286.331 1.722 20 10 CDCDRO O=C(CC[NH2+]C1CC1)Nc1c2nonc2ccc1Cl ZINC001580537998 1172463780 /nfs/dbraw/zinc/46/37/80/1172463780.db2.gz KGRQIMZQNAMPAZ-UHFFFAOYSA-N 1 0 280.715 1.957 20 10 CDCDRO [O-]c1cc(F)c(F)cc1C[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580887920 1172564575 /nfs/dbraw/zinc/56/45/75/1172564575.db2.gz BBBRNVNWPQXCQK-JTQLQIEISA-N 1 0 284.306 1.281 20 10 CDCDRO Cc1cccc(C[NH2+]C2CCS(=O)(=O)CC2)c1O ZINC000158694617 1178227877 /nfs/dbraw/zinc/22/78/77/1178227877.db2.gz MZHUYRNSXSYDLD-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO COc1cccc(CNc2ncnc3c2cnn3C)c1O ZINC000066812725 899592575 /nfs/dbraw/zinc/59/25/75/899592575.db2.gz JCUPIYCMWBCRBX-UHFFFAOYSA-N 1 0 285.307 1.690 20 10 CDCDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001172597935 911763890 /nfs/dbraw/zinc/76/38/90/911763890.db2.gz PCHWSNNSUCQSPN-RYUDHWBXSA-N 1 0 279.336 1.919 20 10 CDCDRO C[NH+](C)CCn1cc(-c2ccn(CC3CC3)c(=O)c2)cn1 ZINC001206373455 915767423 /nfs/dbraw/zinc/76/74/23/915767423.db2.gz NPOBFJJPTVEMHN-UHFFFAOYSA-N 1 0 286.379 1.683 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCC[C@H]1O ZINC001204277310 916572629 /nfs/dbraw/zinc/57/26/29/916572629.db2.gz YPURRBAJSGGWNH-GXFFZTMASA-N 1 0 251.326 1.691 20 10 CDCDRO CC(C)(O)CCN1CC[NH+](Cc2ccccc2O)CC1 ZINC001203561055 918379902 /nfs/dbraw/zinc/37/99/02/918379902.db2.gz KVPOPMJZVVTPGS-UHFFFAOYSA-N 1 0 278.396 1.671 20 10 CDCDRO CC(C)(C)[N@@H+](Cc1ccccc1O)C[C@@H](O)CO ZINC001203549911 919289258 /nfs/dbraw/zinc/28/92/58/919289258.db2.gz CGORPWJJOCASCF-GFCCVEGCSA-N 1 0 253.342 1.346 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)ccc1N(C)C ZINC001139670362 936634865 /nfs/dbraw/zinc/63/48/65/936634865.db2.gz LICCGPJUDNOSQX-KRWDZBQOSA-N 1 0 287.407 1.773 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CCN(CC(C)(C)O)CC2)c1O ZINC001140184749 936685379 /nfs/dbraw/zinc/68/53/79/936685379.db2.gz GVPKORNGJSIFIW-UHFFFAOYSA-N 1 0 292.423 1.898 20 10 CDCDRO C[N@H+](C1CN(Cc2ccc(Cl)cc2O)C1)[C@H]1CCOC1 ZINC001140465938 936712761 /nfs/dbraw/zinc/71/27/61/936712761.db2.gz UOYUCRDLZVJQSZ-ZDUSSCGKSA-N 1 0 296.798 1.951 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2c(O)cccc2F)CCO1 ZINC001137832627 922528976 /nfs/dbraw/zinc/52/89/76/922528976.db2.gz BOJXRDQHVGHXCE-LLVKDONJSA-N 1 0 268.332 1.294 20 10 CDCDRO CC[NH+]1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162867 936823597 /nfs/dbraw/zinc/82/35/97/936823597.db2.gz IMNRWMPVGZIQOO-STQMWFEESA-N 1 0 262.353 1.481 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(O)ccc2O)CC12CC2 ZINC001141163131 936823660 /nfs/dbraw/zinc/82/36/60/936823660.db2.gz QILJAKJHQHKMBJ-GFCCVEGCSA-N 1 0 277.320 1.483 20 10 CDCDRO CC[NH+](CC)CCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193208978 923533715 /nfs/dbraw/zinc/53/37/15/923533715.db2.gz DDXLMWCRSUMBOS-UHFFFAOYSA-N 1 0 286.759 1.823 20 10 CDCDRO N[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000841034816 936972522 /nfs/dbraw/zinc/97/25/22/936972522.db2.gz CZNPQGHYNHARIR-ZDUSSCGKSA-N 1 0 286.331 1.911 20 10 CDCDRO Cc1cccc(C[N@H+]2CCC[C@]23CCN(C)C3=O)c1O ZINC001273771001 925510729 /nfs/dbraw/zinc/51/07/29/925510729.db2.gz YUKITXNRFSMHBS-MRXNPFEDSA-N 1 0 274.364 1.897 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000843049544 937107209 /nfs/dbraw/zinc/10/72/09/937107209.db2.gz PITRSTUAFJCBKV-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)CO1 ZINC001169335029 927958281 /nfs/dbraw/zinc/95/82/81/927958281.db2.gz PIHOCKBRMKRKTD-RISCZKNCSA-N 1 0 295.335 1.298 20 10 CDCDRO CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001169586674 928238355 /nfs/dbraw/zinc/23/83/55/928238355.db2.gz JEFGAGVKFNOOQG-LBPRGKRZSA-N 1 0 264.325 1.198 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)S(C)(=O)=O)c1 ZINC000697620678 937284517 /nfs/dbraw/zinc/28/45/17/937284517.db2.gz NJEZFIIQALVHIV-JTQLQIEISA-N 1 0 257.355 1.223 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H](COC)OC)c1O ZINC000691494397 929067706 /nfs/dbraw/zinc/06/77/06/929067706.db2.gz NWTUOHBUPMENFQ-CYBMUJFWSA-N 1 0 253.342 1.706 20 10 CDCDRO COc1cccc(CN2CC(C)([NH+](C)C)C2)c1O ZINC001203597104 939695488 /nfs/dbraw/zinc/69/54/88/939695488.db2.gz VDAVCRBOOWWLOU-UHFFFAOYSA-N 1 0 250.342 1.537 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001203602413 939695658 /nfs/dbraw/zinc/69/56/58/939695658.db2.gz VKPXYWGMBILLJB-VXGBXAGGSA-N 1 0 269.316 1.696 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c(O)c1 ZINC001203628562 939697608 /nfs/dbraw/zinc/69/76/08/939697608.db2.gz CQGOGOUGLPYEPI-JQWIXIFHSA-N 1 0 251.326 1.746 20 10 CDCDRO CCC[N@H+]1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203881928 939711516 /nfs/dbraw/zinc/71/15/16/939711516.db2.gz YMNIZNPEAFJBIE-OKILXGFUSA-N 1 0 276.380 1.871 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]12 ZINC001204281766 939752009 /nfs/dbraw/zinc/75/20/09/939752009.db2.gz IPKRJFUGHIEQMU-GXFFZTMASA-N 1 0 261.321 1.899 20 10 CDCDRO CN1C[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1=O ZINC001204323237 939755913 /nfs/dbraw/zinc/75/59/13/939755913.db2.gz QEFUPEVXIHCTQH-WBVHZDCISA-N 1 0 299.418 1.807 20 10 CDCDRO c1c(CN2CC[NH2+]CC2)cc2c3c1CCCN3CCC2 ZINC001204630606 939782593 /nfs/dbraw/zinc/78/25/93/939782593.db2.gz PKOSQVDNHHXGRF-UHFFFAOYSA-N 1 0 271.408 1.791 20 10 CDCDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)n(C)n1 ZINC001205927840 939956372 /nfs/dbraw/zinc/95/63/72/939956372.db2.gz IYYAHZLBIQUIHH-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1Cl ZINC001206070737 939974727 /nfs/dbraw/zinc/97/47/27/939974727.db2.gz RLYKUVZANSDFGM-LDYMZIIASA-N 1 0 270.760 1.833 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc1 ZINC001206086300 939978459 /nfs/dbraw/zinc/97/84/59/939978459.db2.gz BQPAOOBHIYEHFT-QZTJIDSGSA-N 1 0 299.418 1.988 20 10 CDCDRO COc1cc(O)c(CN2CC(C)(C[NH3+])C2)c(Cl)c1 ZINC001206737323 940083289 /nfs/dbraw/zinc/08/32/89/940083289.db2.gz PCNVSEHCBUVJHT-UHFFFAOYSA-N 1 0 270.760 1.835 20 10 CDCDRO Cc1cc(C)c(CNC(=O)C2CC3(C[NH2+]C3)C2)c(O)c1 ZINC001220825820 941475555 /nfs/dbraw/zinc/47/55/55/941475555.db2.gz SRQUIDLAILWFPV-UHFFFAOYSA-N 1 0 274.364 1.625 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464683 942009272 /nfs/dbraw/zinc/00/92/72/942009272.db2.gz KZVZPCDXULLUBW-SSDOTTSWSA-N 1 0 287.312 1.324 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c(O)cc1O ZINC001231634453 942950355 /nfs/dbraw/zinc/95/03/55/942950355.db2.gz NESHRFROKPVBDD-CMPLNLGQSA-N 1 0 281.352 1.699 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCOC[C@@](C)(O)C2)c(O)c1 ZINC001231843391 943025402 /nfs/dbraw/zinc/02/54/02/943025402.db2.gz XPIJQIAMICQMKG-HNNXBMFYSA-N 1 0 265.353 1.592 20 10 CDCDRO CC(=O)N1CCN(Cc2cc(Cl)c(O)cc2O)[C@@H](C)C1 ZINC001232262440 943195338 /nfs/dbraw/zinc/19/53/38/943195338.db2.gz HSELYZSXBOXOBN-VIFPVBQESA-N 1 0 298.770 1.804 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232834893 943412997 /nfs/dbraw/zinc/41/29/97/943412997.db2.gz PBONNKSXRHCVHW-UHFFFAOYSA-N 1 0 291.395 1.559 20 10 CDCDRO CC(C)[N@H+](CCCO)Cc1cc(O)c(O)c(O)c1 ZINC001233014044 943462960 /nfs/dbraw/zinc/46/29/60/943462960.db2.gz XLMPBXUGRPQETG-UHFFFAOYSA-N 1 0 255.314 1.396 20 10 CDCDRO C[N@H+](Cc1cccnc1)Cc1cc(O)c(O)cc1O ZINC001233482623 943590722 /nfs/dbraw/zinc/59/07/22/943590722.db2.gz VMAWAGIEGKPZKQ-UHFFFAOYSA-N 1 0 260.293 1.830 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)cc1O ZINC001233483095 943593152 /nfs/dbraw/zinc/59/31/52/943593152.db2.gz NPACWRHYZDINSI-AWEZNQCLSA-N 1 0 285.315 1.490 20 10 CDCDRO Oc1cc(O)c(CN2CC[NH+]3CCC2CC3)cc1O ZINC001233486488 943593744 /nfs/dbraw/zinc/59/37/44/943593744.db2.gz OLCVETSKALVVMM-UHFFFAOYSA-N 1 0 264.325 1.083 20 10 CDCDRO Oc1cc2ccccc2cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234992044 944001934 /nfs/dbraw/zinc/00/19/34/944001934.db2.gz RVFVJOFEOPUNLF-SFHVURJKSA-N 1 0 297.402 1.683 20 10 CDCDRO CC(C)[C@@H]1CN(Cc2c(O)cccc2F)CC[NH2+]1 ZINC001235470345 944167151 /nfs/dbraw/zinc/16/71/51/944167151.db2.gz CNJLSBAYURHNLI-ZDUSSCGKSA-N 1 0 252.333 1.961 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H](O)[C@@H]([NH3+])C2)cc1 ZINC001235961105 944335011 /nfs/dbraw/zinc/33/50/11/944335011.db2.gz ZNZLQTCTWQSJFF-DLBZAZTESA-N 1 0 285.391 1.598 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(OC)c1 ZINC001235987410 944351295 /nfs/dbraw/zinc/35/12/95/944351295.db2.gz FSPGXOJZLOXNPZ-MEBBXXQBSA-N 1 0 278.352 1.333 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001236171182 944420390 /nfs/dbraw/zinc/42/03/90/944420390.db2.gz OVEKHQCGGJNEHB-ZDUSSCGKSA-N 1 0 279.359 1.195 20 10 CDCDRO COc1cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)c(OC)c1 ZINC001236578824 944515476 /nfs/dbraw/zinc/51/54/76/944515476.db2.gz HLWYCUZNSPNEDT-QWRGUYRKSA-N 1 0 280.368 1.592 20 10 CDCDRO CCc1ccc(C[NH+]2CC(N3CCOCC3)C2)c(O)c1 ZINC001236794816 944570127 /nfs/dbraw/zinc/57/01/27/944570127.db2.gz PJJZKJYGIZBERM-UHFFFAOYSA-N 1 0 276.380 1.471 20 10 CDCDRO COc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC001236814979 944578394 /nfs/dbraw/zinc/57/83/94/944578394.db2.gz YMXUTPPIIHWEFE-GFCCVEGCSA-N 1 0 264.369 1.845 20 10 CDCDRO NC(=O)C1C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236834269 944586718 /nfs/dbraw/zinc/58/67/18/944586718.db2.gz VGQOZBCNBDBZSR-UHFFFAOYSA-N 1 0 256.305 1.463 20 10 CDCDRO C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C[C@H](O)CO ZINC001237116782 944658856 /nfs/dbraw/zinc/65/88/56/944658856.db2.gz MCWXJXMIHKBKTG-QMMMGPOBSA-N 1 0 295.257 1.076 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC(N(C)[C@@H]2CCOC2)C1 ZINC001237487685 944813339 /nfs/dbraw/zinc/81/33/39/944813339.db2.gz KSRMEAMOTIKUTH-CYBMUJFWSA-N 1 0 276.380 1.606 20 10 CDCDRO Cc1cc(Cl)cc(C[NH+]2CC(C(N)=O)C2)c1O ZINC001237687213 944925559 /nfs/dbraw/zinc/92/55/59/944925559.db2.gz VNUPLZIGDNEOTN-UHFFFAOYSA-N 1 0 254.717 1.271 20 10 CDCDRO COc1cc(C[NH+]2CC([C@H](C)OC)C2)c(O)c(OC)c1 ZINC001237684111 944927254 /nfs/dbraw/zinc/92/72/54/944927254.db2.gz MPISNHLBCFPPQW-JTQLQIEISA-N 1 0 281.352 1.876 20 10 CDCDRO Cn1ccc(-c2ccc3c([C@H]4CCC[NH2+]4)nnn3c2)cc1=O ZINC001240985696 946129126 /nfs/dbraw/zinc/12/91/26/946129126.db2.gz HFMALDPGKICWJG-CYBMUJFWSA-N 1 0 295.346 1.520 20 10 CDCDRO CC(C)([NH2+]Cc1ccc(N)cc1)C(=O)N1CCCC1 ZINC001262487723 946683810 /nfs/dbraw/zinc/68/38/10/946683810.db2.gz CDSOATBUJWMGDX-UHFFFAOYSA-N 1 0 261.369 1.759 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001262586103 946741401 /nfs/dbraw/zinc/74/14/01/946741401.db2.gz UZKWALIOJGFOLJ-CHWSQXEVSA-N 1 0 262.357 1.338 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001257070345 948516542 /nfs/dbraw/zinc/51/65/42/948516542.db2.gz LPZVOEKBGXIJRC-KVQFHVITSA-N 1 0 281.352 1.677 20 10 CDCDRO COC(=O)[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252419959 951246817 /nfs/dbraw/zinc/24/68/17/951246817.db2.gz FTTRMHLKMIUSSQ-HNNXBMFYSA-N 1 0 292.379 1.253 20 10 CDCDRO CCCCOC[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001252533256 951417398 /nfs/dbraw/zinc/41/73/98/951417398.db2.gz WHAMNZCKEDPEFP-LBPRGKRZSA-N 1 0 269.341 1.365 20 10 CDCDRO Nc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC001334774470 954268939 /nfs/dbraw/zinc/26/89/39/954268939.db2.gz IVXQWPUEPDUNHC-UONOGXRCSA-N 1 0 259.353 1.512 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001328713533 955432116 /nfs/dbraw/zinc/43/21/16/955432116.db2.gz LEGFOEBQMBNEGU-LLVKDONJSA-N 1 0 296.390 1.546 20 10 CDCDRO Nc1ccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC001338792793 961998556 /nfs/dbraw/zinc/99/85/56/961998556.db2.gz JEQAFSFBJDPXPN-BBRMVZONSA-N 1 0 288.395 1.539 20 10 CDCDRO C[N@H+](CCOCCO)Cc1ccc(N2CCCC2)cc1 ZINC001339933305 962632940 /nfs/dbraw/zinc/63/29/40/962632940.db2.gz PUGLXLDSMLRPPM-UHFFFAOYSA-N 1 0 278.396 1.728 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CC[C@H](C)O)CC2)cc1 ZINC001347097967 965370491 /nfs/dbraw/zinc/37/04/91/965370491.db2.gz NEVDPICRIMEVJN-AWEZNQCLSA-N 1 0 278.396 1.978 20 10 CDCDRO CCC[NH2+]CCNC(=O)N[C@H](C)c1ccccc1O ZINC001353489311 968013046 /nfs/dbraw/zinc/01/30/46/968013046.db2.gz OLBCCTLTPFDPKX-LLVKDONJSA-N 1 0 265.357 1.752 20 10 CDCDRO O=C(NCc1c(O)cccc1F)[C@@H]1CCCC[NH2+]1 ZINC001358167278 969703811 /nfs/dbraw/zinc/70/38/11/969703811.db2.gz FVFCELPKKGHHNQ-NSHDSACASA-N 1 0 252.289 1.290 20 10 CDCDRO C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(C(=O)[O-])ccc1O ZINC001593264732 994568141 /nfs/dbraw/zinc/56/81/41/994568141.db2.gz MIMYQWGLQPXQIJ-SNVBAGLBSA-N 1 0 266.341 1.693 20 10 CDCDRO C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598663240 994631679 /nfs/dbraw/zinc/63/16/79/994631679.db2.gz CNVREPLMSIMESN-NXEZZACHSA-N 1 0 266.341 1.739 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000036795005 356253334 /nfs/dbraw/zinc/25/33/34/356253334.db2.gz KFYBGPJZROMKDV-ZJUUUORDSA-N 1 0 266.341 1.576 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(C)(=O)=O)c1 ZINC000037740488 356921258 /nfs/dbraw/zinc/92/12/58/356921258.db2.gz POXKQYJCRRIGHY-VIFPVBQESA-N 1 0 273.354 1.096 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000179720143 357221552 /nfs/dbraw/zinc/22/15/52/357221552.db2.gz RRKOAEIGVBLTBM-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO CCCCC[N@H+](CC(N)=O)Cc1cc(OC)ccc1O ZINC000180804963 357289800 /nfs/dbraw/zinc/28/98/00/357289800.db2.gz XEPATGYAZONQGV-UHFFFAOYSA-N 1 0 280.368 1.878 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c(O)c1 ZINC000296094743 357611381 /nfs/dbraw/zinc/61/13/81/357611381.db2.gz YJCRLPQFSOQEIR-CYBMUJFWSA-N 1 0 278.396 1.808 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000188894989 357949869 /nfs/dbraw/zinc/94/98/69/357949869.db2.gz UVBRJUOLVFZLDC-LBPRGKRZSA-N 1 0 264.369 1.965 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000156070773 361712027 /nfs/dbraw/zinc/71/20/27/361712027.db2.gz ARVZAFCHVHNGBX-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000271105164 364925582 /nfs/dbraw/zinc/92/55/82/364925582.db2.gz REUSEKUPOFKBEC-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)c2cn[nH]c2)cc1OC ZINC000271799901 364998835 /nfs/dbraw/zinc/99/88/35/364998835.db2.gz INXWYIQQDZUZGT-SECBINFHSA-N 1 0 277.324 1.983 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@H]1O ZINC000271907416 365006024 /nfs/dbraw/zinc/00/60/24/365006024.db2.gz LUIQTNJOUVZVPH-ZWNOBZJWSA-N 1 0 281.352 1.612 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)CCOC)c1 ZINC000172072809 365465668 /nfs/dbraw/zinc/46/56/68/365465668.db2.gz QCDWIYPHOGMGMS-HNNXBMFYSA-N 1 0 283.368 1.668 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O ZINC000284235051 368506426 /nfs/dbraw/zinc/50/64/26/368506426.db2.gz VGJHSWXFUYFUIN-RYUDHWBXSA-N 1 0 283.393 1.868 20 10 CDCDRO COc1cccc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1O ZINC000284289251 368509386 /nfs/dbraw/zinc/50/93/86/368509386.db2.gz IAAFJMHTLGAMLJ-OLZOCXBDSA-N 1 0 294.395 1.288 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1F ZINC000158761154 261170894 /nfs/dbraw/zinc/17/08/94/261170894.db2.gz UQRHYPKNJHKVDJ-GFCCVEGCSA-N 1 0 252.333 1.848 20 10 CDCDRO Oc1ccccc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000288570461 369468483 /nfs/dbraw/zinc/46/84/83/369468483.db2.gz MYDKWFCEEPWVCU-CZUORRHYSA-N 1 0 271.316 1.976 20 10 CDCDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000295084455 371127589 /nfs/dbraw/zinc/12/75/89/371127589.db2.gz SLPSRCMFVPCTHF-JRPNMDOOSA-N 1 0 261.369 1.314 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273579554 371168345 /nfs/dbraw/zinc/16/83/45/371168345.db2.gz MIIBRMUUGMCVBX-NXEZZACHSA-N 1 0 264.325 1.282 20 10 CDCDRO CCN(CCC[NH+](C)C)C(=O)c1cccc(O)c1O ZINC000276211845 371206975 /nfs/dbraw/zinc/20/69/75/371206975.db2.gz LIUSGWCUZKRDSR-UHFFFAOYSA-N 1 0 266.341 1.512 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296243943 371419878 /nfs/dbraw/zinc/41/98/78/371419878.db2.gz AXIHOWWINNCHOU-ZYHUDNBSSA-N 1 0 262.353 1.836 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(F)ccc1O ZINC000295801136 371396433 /nfs/dbraw/zinc/39/64/33/371396433.db2.gz AHAKXXPGRWZQEP-LLVKDONJSA-N 1 0 282.359 1.639 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NCCF ZINC000296246971 371676416 /nfs/dbraw/zinc/67/64/16/371676416.db2.gz BAPSIAWLFKZQKX-KOLCDFICSA-N 1 0 266.316 1.443 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1OC ZINC000293978531 378607387 /nfs/dbraw/zinc/60/73/87/378607387.db2.gz RCUKIZCSSKZSHK-NEPJUHHUSA-N 1 0 297.351 1.039 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)CC2 ZINC000296733223 378745326 /nfs/dbraw/zinc/74/53/26/378745326.db2.gz JBRGYAPUJQYNIO-DZGCQCFKSA-N 1 0 277.364 1.757 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000184686150 262026147 /nfs/dbraw/zinc/02/61/47/262026147.db2.gz AJCNKEHFFQXLAJ-VIFPVBQESA-N 1 0 271.744 1.868 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093717283 390903763 /nfs/dbraw/zinc/90/37/63/390903763.db2.gz IMUZDGYBCXUTBY-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000125561871 391260574 /nfs/dbraw/zinc/26/05/74/391260574.db2.gz KNYOMDZVZUDCGJ-UGZDLDLSSA-N 1 0 285.365 1.368 20 10 CDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179526213 391209681 /nfs/dbraw/zinc/20/96/81/391209681.db2.gz FJIJGIQNQDZEAB-GFCCVEGCSA-N 1 0 292.379 1.820 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000183838828 391271974 /nfs/dbraw/zinc/27/19/74/391271974.db2.gz AYPQVOFHKQXSEL-SNVBAGLBSA-N 1 0 250.342 1.815 20 10 CDCDRO C[N@H+]1C[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]2C1 ZINC000194537335 391361833 /nfs/dbraw/zinc/36/18/33/391361833.db2.gz VWLBEOMZILCQOR-TXEJJXNPSA-N 1 0 250.317 1.525 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1OC ZINC000195008133 391374354 /nfs/dbraw/zinc/37/43/54/391374354.db2.gz FLIXLCBREGRFPI-XPTSAGLGSA-N 1 0 294.351 1.024 20 10 CDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](C)O ZINC000281884208 391418567 /nfs/dbraw/zinc/41/85/67/391418567.db2.gz DFKCCUPVQNYURY-SECBINFHSA-N 1 0 287.743 1.401 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c1 ZINC000135761157 393311294 /nfs/dbraw/zinc/31/12/94/393311294.db2.gz LLDBVFLQSDQUOB-SNVBAGLBSA-N 1 0 280.368 1.794 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COCCO2)c1 ZINC000038060814 174071385 /nfs/dbraw/zinc/07/13/85/174071385.db2.gz XVFDLGQVYUCQPD-NEPJUHHUSA-N 1 0 251.326 1.767 20 10 CDCDRO CC[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000038098284 174113190 /nfs/dbraw/zinc/11/31/90/174113190.db2.gz MDWKKQKNVMDQSV-UHFFFAOYSA-N 1 0 261.369 1.412 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000080996899 260182069 /nfs/dbraw/zinc/18/20/69/260182069.db2.gz OQTGGGCPOHSUOT-CYBMUJFWSA-N 1 0 262.353 1.883 20 10 CDCDRO CN(C(=O)c1cccc(O)c1O)C1CC[NH+](C)CC1 ZINC000126219925 260346599 /nfs/dbraw/zinc/34/65/99/260346599.db2.gz USENOAGAERBKOQ-UHFFFAOYSA-N 1 0 264.325 1.264 20 10 CDCDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(O)c1O ZINC000187007457 262120981 /nfs/dbraw/zinc/12/09/81/262120981.db2.gz MKSDDYYFISOLJJ-NWDGAFQWSA-N 1 0 292.379 1.948 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000188496451 264006825 /nfs/dbraw/zinc/00/68/25/264006825.db2.gz GWHCBKPIHGQPBT-SNVBAGLBSA-N 1 0 266.341 1.357 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000369828614 267270802 /nfs/dbraw/zinc/27/08/02/267270802.db2.gz BJLOHLULQUXQKI-LBPRGKRZSA-N 1 0 273.336 1.771 20 10 CDCDRO C[C@]1(CO)C[N@@H+](Cc2c(O)cccc2Cl)C[C@@]1(C)CO ZINC000529667972 281350958 /nfs/dbraw/zinc/35/09/58/281350958.db2.gz BWUFGIVDHDCZEL-GASCZTMLSA-N 1 0 299.798 1.858 20 10 CDCDRO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000378501564 329053335 /nfs/dbraw/zinc/05/33/35/329053335.db2.gz TUEQBOYSMCSZET-ZDUSSCGKSA-N 1 0 293.342 1.521 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000252539958 334382403 /nfs/dbraw/zinc/38/24/03/334382403.db2.gz CAPDFOSQWUAFLH-ZFWWWQNUSA-N 1 0 292.379 1.354 20 10 CDCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1COCCO1 ZINC000037998272 1159739868 /nfs/dbraw/zinc/73/98/68/1159739868.db2.gz GHPYBFKBPAEYBX-MRXNPFEDSA-N 1 0 276.380 1.792 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC(=O)NC2CC2)c1 ZINC000263702117 521152987 /nfs/dbraw/zinc/15/29/87/521152987.db2.gz RKNHKYHNBJFEEN-UHFFFAOYSA-N 1 0 264.325 1.159 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186806689 520175681 /nfs/dbraw/zinc/17/56/81/520175681.db2.gz ZBMQOGNLMHEKQD-NSHDSACASA-N 1 0 250.342 1.830 20 10 CDCDRO CCS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000289445697 521669018 /nfs/dbraw/zinc/66/90/18/521669018.db2.gz MMBMSQHLXNXXIF-UHFFFAOYSA-N 1 0 298.408 1.296 20 10 CDCDRO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(OC)c1O ZINC000291222618 521890736 /nfs/dbraw/zinc/89/07/36/521890736.db2.gz JONDIJBWVRNLIS-CYBMUJFWSA-N 1 0 281.352 1.638 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1 ZINC000280350249 522186299 /nfs/dbraw/zinc/18/62/99/522186299.db2.gz STQIAAFUKJVVSX-HNNXBMFYSA-N 1 0 261.369 1.450 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2CC2)cc1 ZINC000299351333 522188730 /nfs/dbraw/zinc/18/87/30/522188730.db2.gz KKUNHOHDEIBAMZ-UHFFFAOYSA-N 1 0 261.369 1.463 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000234838057 522688437 /nfs/dbraw/zinc/68/84/37/522688437.db2.gz SBQGNBPUBUKLFP-ZJUUUORDSA-N 1 0 255.314 1.059 20 10 CDCDRO C[NH+]1CCC(CCNC(=O)c2cccc(O)c2O)CC1 ZINC000187573518 523759998 /nfs/dbraw/zinc/75/99/98/523759998.db2.gz GCTLWQOUVVCIKR-UHFFFAOYSA-N 1 0 278.352 1.560 20 10 CDCDRO COCCOCCOCC[N@H+](C)Cc1cccc(C)c1O ZINC000276131644 524012457 /nfs/dbraw/zinc/01/24/57/524012457.db2.gz CPWCVBNNXDCURQ-UHFFFAOYSA-N 1 0 297.395 1.812 20 10 CDCDRO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000237759671 524128611 /nfs/dbraw/zinc/12/86/11/524128611.db2.gz BLLJYZGTEBLGQJ-CQSZACIVSA-N 1 0 298.390 1.971 20 10 CDCDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000299357237 524470362 /nfs/dbraw/zinc/47/03/62/524470362.db2.gz SYFNPDOKBHNHRL-ZDUSSCGKSA-N 1 0 292.427 1.892 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000273345866 524762214 /nfs/dbraw/zinc/76/22/14/524762214.db2.gz ASRWQOFVKKZRRN-BDJLRTHQSA-N 1 0 295.379 1.839 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](C)c2ncnn2C)cc1C ZINC000276617852 525323959 /nfs/dbraw/zinc/32/39/59/525323959.db2.gz DTYJBMLEUUCQAX-LLVKDONJSA-N 1 0 260.341 1.988 20 10 CDCDRO CS[C@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000128174916 525885363 /nfs/dbraw/zinc/88/53/63/525885363.db2.gz LVSBGMSEPBNFAM-MRVPVSSYSA-N 1 0 255.339 1.962 20 10 CDCDRO COc1cccc(C[NH2+]Cc2ccc(CO)o2)c1O ZINC000289425730 526023054 /nfs/dbraw/zinc/02/30/54/526023054.db2.gz JTRNHOSDOQKACB-UHFFFAOYSA-N 1 0 263.293 1.776 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000125567408 526028950 /nfs/dbraw/zinc/02/89/50/526028950.db2.gz BWWNHYUNIYSYAO-XTZNXHDOSA-N 1 0 271.382 1.648 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCN1CC=CCC1 ZINC000279764216 526348099 /nfs/dbraw/zinc/34/80/99/526348099.db2.gz JLSJQJFBRSLELV-UHFFFAOYSA-N 1 0 250.317 1.883 20 10 CDCDRO CN(Cc1ccn(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221053 574982909 /nfs/dbraw/zinc/98/29/09/574982909.db2.gz APDUWRHGSBHWDM-UHFFFAOYSA-N 1 0 288.395 1.997 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](C)C(=O)NC)cc1 ZINC000773756819 575837943 /nfs/dbraw/zinc/83/79/43/575837943.db2.gz VVWHVYNKTNPRKI-CYBMUJFWSA-N 1 0 277.412 1.957 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1OC ZINC000765794529 576056181 /nfs/dbraw/zinc/05/61/81/576056181.db2.gz DBYUWEQVNRPQIZ-JQWIXIFHSA-N 1 0 278.352 1.405 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448671 576284864 /nfs/dbraw/zinc/28/48/64/576284864.db2.gz WDCNPTTUZIFLJZ-XHDPSFHLSA-N 1 0 292.379 1.202 20 10 CDCDRO CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768453622 576285965 /nfs/dbraw/zinc/28/59/65/576285965.db2.gz ZYZZBCKGXMANEI-RISCZKNCSA-N 1 0 279.336 1.429 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c(O)c1 ZINC000768460728 576286335 /nfs/dbraw/zinc/28/63/35/576286335.db2.gz OIDXKAVRAQXASQ-GFCCVEGCSA-N 1 0 279.336 1.786 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCCNC2=O)c(O)c1 ZINC000769202548 576337209 /nfs/dbraw/zinc/33/72/09/576337209.db2.gz WJSHDBUPMCGHTJ-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000760452625 576485454 /nfs/dbraw/zinc/48/54/54/576485454.db2.gz ZLIYDLUUKVYVAJ-NSHDSACASA-N 1 0 279.258 1.804 20 10 CDCDRO CN(Cc1cc[nH]n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223358 576561262 /nfs/dbraw/zinc/56/12/62/576561262.db2.gz PSAAYSBWMYAGFO-UHFFFAOYSA-N 1 0 274.368 1.987 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000745790132 576742789 /nfs/dbraw/zinc/74/27/89/576742789.db2.gz UYNJCPAPGPFXAR-CYBMUJFWSA-N 1 0 277.368 1.676 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(F)ccc1O ZINC000756537401 576994252 /nfs/dbraw/zinc/99/42/52/576994252.db2.gz YPZIZDFMQYYFHA-VXGBXAGGSA-N 1 0 282.359 1.903 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(O)c1O ZINC000751537842 577049472 /nfs/dbraw/zinc/04/94/72/577049472.db2.gz JTRXBZJFQMYESR-LBPRGKRZSA-N 1 0 290.363 1.620 20 10 CDCDRO C[N@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCNC1=O ZINC000758406997 577105774 /nfs/dbraw/zinc/10/57/74/577105774.db2.gz JJEHRRUBIJBSBS-ZDUSSCGKSA-N 1 0 271.320 1.261 20 10 CDCDRO [NH3+][C@H]1C[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892564983 617507487 /nfs/dbraw/zinc/50/74/87/617507487.db2.gz GQKOZSBAUMZSEH-HOMQSWHASA-N 1 0 261.325 1.155 20 10 CDCDRO CS/C=C/C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297340 617697778 /nfs/dbraw/zinc/69/77/78/617697778.db2.gz HLYPPTNVPCPTOK-MMQHEFTJSA-N 1 0 279.409 1.745 20 10 CDCDRO COc1ccc(C[NH2+]CCn2ccnc2C)c(O)c1OC ZINC000892757892 617707929 /nfs/dbraw/zinc/70/79/29/617707929.db2.gz LFCUFXXGDUVOTC-UHFFFAOYSA-N 1 0 291.351 1.704 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c(O)c1OC ZINC000893472330 617964389 /nfs/dbraw/zinc/96/43/89/617964389.db2.gz QHGOCLLDTNMHEM-WDEREUQCSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)C2CC2)c(O)c1OC ZINC000892966689 617997976 /nfs/dbraw/zinc/99/79/76/617997976.db2.gz XXYVQGUTBVZKMI-LLVKDONJSA-N 1 0 267.325 1.270 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1ccc(OC)c(OC)c1O ZINC000894257965 618306076 /nfs/dbraw/zinc/30/60/76/618306076.db2.gz ZVRWISRUCQUMCR-UHFFFAOYSA-N 1 0 299.367 1.240 20 10 CDCDRO COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(O)c1OC ZINC000894084534 618347912 /nfs/dbraw/zinc/34/79/12/618347912.db2.gz UOHNRPDPPOOTIK-BETUJISGSA-N 1 0 292.379 1.403 20 10 CDCDRO CC(C)[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[NH2+]1 ZINC000841851572 618354195 /nfs/dbraw/zinc/35/41/95/618354195.db2.gz MRJHBJIVPVIBSG-CQSZACIVSA-N 1 0 261.369 1.268 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000795582150 618390105 /nfs/dbraw/zinc/39/01/05/618390105.db2.gz IWAXQVGWGXFCFC-QWHCGFSZSA-N 1 0 281.352 1.135 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843056949 618691007 /nfs/dbraw/zinc/69/10/07/618691007.db2.gz DCSRJWJQSMDUFD-NXEZZACHSA-N 1 0 295.339 1.478 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000894332931 618786499 /nfs/dbraw/zinc/78/64/99/618786499.db2.gz KIMXGOJKSSBMKF-NSPYISDASA-N 1 0 285.409 1.956 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCOC2)c(O)c1OC ZINC000894524571 618939631 /nfs/dbraw/zinc/93/96/31/618939631.db2.gz YZKKTERDACWVHA-LLVKDONJSA-N 1 0 267.325 1.678 20 10 CDCDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000895327970 619565026 /nfs/dbraw/zinc/56/50/26/619565026.db2.gz FONAWCWXPPWRDN-MFKMUULPSA-N 1 0 271.744 1.363 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000895781264 619846337 /nfs/dbraw/zinc/84/63/37/619846337.db2.gz LKOQAMPABVSLHB-ZBINZKHDSA-N 1 0 263.337 1.604 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000896732879 620216552 /nfs/dbraw/zinc/21/65/52/620216552.db2.gz LKZUGQBDHZFVCI-JQWIXIFHSA-N 1 0 251.326 1.834 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC000897681277 621069982 /nfs/dbraw/zinc/06/99/82/621069982.db2.gz ZXQWNNGKNCBOKK-CXAGYDPISA-N 1 0 290.407 1.460 20 10 CDCDRO COC[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000902564618 624951501 /nfs/dbraw/zinc/95/15/01/624951501.db2.gz UWHWCHMTIHLERN-ZDUSSCGKSA-N 1 0 288.347 1.788 20 10 CDCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910948823 629114396 /nfs/dbraw/zinc/11/43/96/629114396.db2.gz AZECCPFQPIYPNL-SNVBAGLBSA-N 1 0 280.368 1.881 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC000153948530 631968496 /nfs/dbraw/zinc/96/84/96/631968496.db2.gz HOUAJBMOYNADEY-NSHDSACASA-N 1 0 292.379 1.920 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000846168583 693878209 /nfs/dbraw/zinc/87/82/09/693878209.db2.gz SZRSWJKJUGSHIZ-JTQLQIEISA-N 1 0 299.392 1.629 20 10 CDCDRO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000792727406 693937057 /nfs/dbraw/zinc/93/70/57/693937057.db2.gz OLHVANHNWWUIDZ-IINYFYTJSA-N 1 0 293.363 1.817 20 10 CDCDRO CN(CCCC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000828268006 693941921 /nfs/dbraw/zinc/94/19/21/693941921.db2.gz BEENFLOJQXISJW-UHFFFAOYSA-N 1 0 256.371 1.868 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876617248 693958511 /nfs/dbraw/zinc/95/85/11/693958511.db2.gz IGDZRQZYQACRKB-LLVKDONJSA-N 1 0 251.326 1.942 20 10 CDCDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000840963482 693960656 /nfs/dbraw/zinc/96/06/56/693960656.db2.gz OEDCFEPFQHZCAI-MFKMUULPSA-N 1 0 269.316 1.408 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC000190046607 693986187 /nfs/dbraw/zinc/98/61/87/693986187.db2.gz OACKOOBBXCVHBD-YOEHRIQHSA-N 1 0 290.407 1.726 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000840825121 694075125 /nfs/dbraw/zinc/07/51/25/694075125.db2.gz SNHOATGMIIPBGR-LBPRGKRZSA-N 1 0 290.363 1.264 20 10 CDCDRO Oc1c(C[NH2+]C[C@@H](O)Cn2ccnn2)ccc2ccccc21 ZINC000839181589 694084198 /nfs/dbraw/zinc/08/41/98/694084198.db2.gz YVURUTNGUZNABA-CQSZACIVSA-N 1 0 298.346 1.288 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1 ZINC000704374480 694084265 /nfs/dbraw/zinc/08/42/65/694084265.db2.gz AADHTQRVPBFIKS-MFKMUULPSA-N 1 0 278.352 1.672 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000877347771 694136161 /nfs/dbraw/zinc/13/61/61/694136161.db2.gz QOYQIQDSUSVGCF-KRWDZBQOSA-N 1 0 295.386 1.642 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000109544403 688219920 /nfs/dbraw/zinc/21/99/20/688219920.db2.gz YDGOECSXCFZIHU-OAHLLOKOSA-N 1 0 276.380 1.792 20 10 CDCDRO COCCC[N@H+](CCO)Cc1ccc(C)cc1O ZINC000877462332 688227983 /nfs/dbraw/zinc/22/79/83/688227983.db2.gz ROWFVZQBSZBMCG-UHFFFAOYSA-N 1 0 253.342 1.531 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000779202197 688293875 /nfs/dbraw/zinc/29/38/75/688293875.db2.gz LFAFFQRVRUFHEI-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1O ZINC000124837378 688314593 /nfs/dbraw/zinc/31/45/93/688314593.db2.gz CDYVAPYTQQHVIR-GFCCVEGCSA-N 1 0 269.366 1.367 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000787424207 688352023 /nfs/dbraw/zinc/35/20/23/688352023.db2.gz POVVDFWCYQWMTK-ZIBATOQPSA-N 1 0 290.363 1.487 20 10 CDCDRO C[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000841929619 688396328 /nfs/dbraw/zinc/39/63/28/688396328.db2.gz WRZGDNXDPKTZHL-OCCSQVGLSA-N 1 0 290.411 1.499 20 10 CDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997221 688402063 /nfs/dbraw/zinc/40/20/63/688402063.db2.gz VDNKCNMUOCWMGW-UHFFFAOYSA-N 1 0 264.325 1.121 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000776217822 688435703 /nfs/dbraw/zinc/43/57/03/688435703.db2.gz BCXGZOLWTVRRAV-NSHDSACASA-N 1 0 269.341 1.542 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000828667090 688453196 /nfs/dbraw/zinc/45/31/96/688453196.db2.gz MUWMLNYRALWRCD-BBBLOLIVSA-N 1 0 266.341 1.561 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](C)O ZINC000386694452 688494129 /nfs/dbraw/zinc/49/41/29/688494129.db2.gz LDUDWAKFFOJHOK-BBRMVZONSA-N 1 0 278.396 1.772 20 10 CDCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902403 688674006 /nfs/dbraw/zinc/67/40/06/688674006.db2.gz PSAJFGDHOCQEQZ-IUODEOHRSA-N 1 0 276.380 1.478 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+][C@@H]2COC[C@@H]2O)c2c1c(F)ccc2O ZINC000866421222 688805454 /nfs/dbraw/zinc/80/54/54/688805454.db2.gz XSULCXBUFYLBEX-UYAIAHHASA-N 1 0 267.300 1.429 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000876595771 688852669 /nfs/dbraw/zinc/85/26/69/688852669.db2.gz KOTVJCSMKMJZMT-CQSZACIVSA-N 1 0 274.364 1.944 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000775396434 688873247 /nfs/dbraw/zinc/87/32/47/688873247.db2.gz WQYSDNWCEADKQI-LBPRGKRZSA-N 1 0 284.425 1.584 20 10 CDCDRO Nc1ccc(CCNC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000843343177 694352773 /nfs/dbraw/zinc/35/27/73/694352773.db2.gz WAYQXWIYBLMKSG-UHFFFAOYSA-N 1 0 290.392 1.199 20 10 CDCDRO CCOc1ccc(O)c(CN2CCC[NH2+]CC2)c1 ZINC000843047119 694355299 /nfs/dbraw/zinc/35/52/99/694355299.db2.gz HMTJHFOIPQBRGE-UHFFFAOYSA-N 1 0 250.342 1.586 20 10 CDCDRO Cc1ccc(C[N@@H+](C)CCNC(=O)N(C)C)c(O)c1 ZINC000877140085 694367015 /nfs/dbraw/zinc/36/70/15/694367015.db2.gz MFJLRPHXWPBFEI-UHFFFAOYSA-N 1 0 265.357 1.404 20 10 CDCDRO C[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccccc1O ZINC000870988704 694392899 /nfs/dbraw/zinc/39/28/99/694392899.db2.gz XLSFQFGZUPVCFZ-TVQRCGJNSA-N 1 0 252.289 1.271 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882187 694393743 /nfs/dbraw/zinc/39/37/43/694393743.db2.gz XKIPHRQMZBVGRE-DGCLKSJQSA-N 1 0 278.400 1.850 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1F ZINC000884204787 694405557 /nfs/dbraw/zinc/40/55/57/694405557.db2.gz FBPYOPOIUPTIPB-LBPRGKRZSA-N 1 0 293.386 1.754 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1F ZINC000827906663 694447783 /nfs/dbraw/zinc/44/77/83/694447783.db2.gz QYMPSZMTSGLZMA-CYBMUJFWSA-N 1 0 279.359 1.635 20 10 CDCDRO COc1ccc(N(C)CCN(C)CC2OCCO2)cc1 ZINC000844401780 694450608 /nfs/dbraw/zinc/45/06/08/694450608.db2.gz QPDQHQZEALELGO-UHFFFAOYSA-N 1 0 280.368 1.436 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c1 ZINC000877676281 692206967 /nfs/dbraw/zinc/20/69/67/692206967.db2.gz ZTRRYHHHBXCHPH-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000313828006 692262562 /nfs/dbraw/zinc/26/25/62/692262562.db2.gz CLVKDNAXAHXKMK-KRWDZBQOSA-N 1 0 290.407 1.774 20 10 CDCDRO C[C@H](CC(=O)NCCc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC000237638648 692279982 /nfs/dbraw/zinc/27/99/82/692279982.db2.gz YCTJHAMRUPEQEC-CYBMUJFWSA-N 1 0 289.423 1.953 20 10 CDCDRO CCOc1cccc(C[NH2+]C2([C@H](C)O)CC2)c1O ZINC000827580154 692283880 /nfs/dbraw/zinc/28/38/80/692283880.db2.gz QGHCKWVVFBHWNE-JTQLQIEISA-N 1 0 251.326 1.794 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CC(=O)N(CC)C2)c1O ZINC000846092936 692289465 /nfs/dbraw/zinc/28/94/65/692289465.db2.gz KVXPZNIPMBLMRN-GFCCVEGCSA-N 1 0 292.379 1.749 20 10 CDCDRO Cc1cnc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000835062104 692295511 /nfs/dbraw/zinc/29/55/11/692295511.db2.gz RCSDXZGRJZWZON-UHFFFAOYSA-N 1 0 287.319 1.552 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852882633 694518928 /nfs/dbraw/zinc/51/89/28/694518928.db2.gz NFDODTPHKQMNAP-LSDHHAIUSA-N 1 0 291.395 1.075 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCN2CCCC2=O)c1 ZINC000846077144 692324775 /nfs/dbraw/zinc/32/47/75/692324775.db2.gz MUXIERHLUODBSC-UHFFFAOYSA-N 1 0 278.352 1.503 20 10 CDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597637 692353413 /nfs/dbraw/zinc/35/34/13/692353413.db2.gz RLYSRFBINJGCCK-DGCLKSJQSA-N 1 0 288.391 1.885 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c1 ZINC000857068436 692371398 /nfs/dbraw/zinc/37/13/98/692371398.db2.gz UKNHIBLSVMYZQL-CMPLNLGQSA-N 1 0 278.352 1.672 20 10 CDCDRO COCC[N@H+](CC(=O)N(C)C)Cc1c(C)cccc1O ZINC000876609394 692380108 /nfs/dbraw/zinc/38/01/08/692380108.db2.gz MKYGPCYQKZNMRF-UHFFFAOYSA-N 1 0 280.368 1.237 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC000876541956 692388845 /nfs/dbraw/zinc/38/88/45/692388845.db2.gz NJJFGPFXMSPFFP-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO C[NH2+][C@H]1CCCN(Cc2c(O)cccc2OC)C1 ZINC000843048545 692477020 /nfs/dbraw/zinc/47/70/20/692477020.db2.gz GJSWEVPIQSVGPR-NSHDSACASA-N 1 0 250.342 1.585 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC2(CC(N)=O)CC2)cc1C ZINC000817411393 694535784 /nfs/dbraw/zinc/53/57/84/694535784.db2.gz QYECHMLETHCARJ-UHFFFAOYSA-N 1 0 262.353 1.754 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948077 692604775 /nfs/dbraw/zinc/60/47/75/692604775.db2.gz MZYITBDOXCRKBY-CQSZACIVSA-N 1 0 265.353 1.499 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000788536530 692608606 /nfs/dbraw/zinc/60/86/06/692608606.db2.gz PUEFYAHZRJNOHT-IINYFYTJSA-N 1 0 267.325 1.030 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)ccc1OC ZINC000886256039 692691496 /nfs/dbraw/zinc/69/14/96/692691496.db2.gz UIZFLJVXIYUSGN-QDMKHBRRSA-N 1 0 295.379 1.206 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000877532398 692774580 /nfs/dbraw/zinc/77/45/80/692774580.db2.gz FRCZTOAOKAQKRH-LBPRGKRZSA-N 1 0 283.393 1.615 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000069141382 692825672 /nfs/dbraw/zinc/82/56/72/692825672.db2.gz SDZDVCFVEXZGSS-QWRGUYRKSA-N 1 0 299.392 1.629 20 10 CDCDRO CCOc1ccc(C[NH2+]CCCc2cnn(C)n2)c(O)c1 ZINC000815144644 692834114 /nfs/dbraw/zinc/83/41/14/692834114.db2.gz MQYUOFPIDXJSEO-UHFFFAOYSA-N 1 0 290.367 1.642 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C[C@@H]2CCCO2)c1 ZINC000886670457 692846345 /nfs/dbraw/zinc/84/63/45/692846345.db2.gz PQJUZNTZMGSTCX-OBJOEFQTSA-N 1 0 295.379 1.981 20 10 CDCDRO COCC(COC)N1CCCc2cc(C[NH3+])ccc21 ZINC000700887683 692876505 /nfs/dbraw/zinc/87/65/05/692876505.db2.gz DEGGQTGZWIMUBR-UHFFFAOYSA-N 1 0 264.369 1.559 20 10 CDCDRO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000841881632 692881954 /nfs/dbraw/zinc/88/19/54/692881954.db2.gz UAASDFMQIFYYDD-NWDGAFQWSA-N 1 0 278.400 1.802 20 10 CDCDRO CCC[N@H+](CC[S@@](C)=O)Cc1ccccc1O ZINC000827938812 692895244 /nfs/dbraw/zinc/89/52/44/692895244.db2.gz SZWICXARWFZZMK-QGZVFWFLSA-N 1 0 255.383 1.983 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666917 692928491 /nfs/dbraw/zinc/92/84/91/692928491.db2.gz KAXMMYJZFFGUMP-SUHUHFCYSA-N 1 0 292.379 1.966 20 10 CDCDRO Cc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000877082566 694562843 /nfs/dbraw/zinc/56/28/43/694562843.db2.gz YBPNKLQEKPYMGY-UHFFFAOYSA-N 1 0 283.393 1.615 20 10 CDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000069141949 692943449 /nfs/dbraw/zinc/94/34/49/692943449.db2.gz YHUKLQCKSXWIEZ-NSHDSACASA-N 1 0 255.339 1.059 20 10 CDCDRO COc1cccc([C@H](C)NC[C@H](O)C[NH+]2CCCC2)c1O ZINC000846147059 692998152 /nfs/dbraw/zinc/99/81/52/692998152.db2.gz VFUMGHUEJAHAGE-STQMWFEESA-N 1 0 294.395 1.508 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955610 693058494 /nfs/dbraw/zinc/05/84/94/693058494.db2.gz HYNVIMLIVJIVJE-WFASDCNBSA-N 1 0 290.411 1.723 20 10 CDCDRO CON(C)C(=O)CC[NH2+]CCCSc1nccs1 ZINC000819064234 693092251 /nfs/dbraw/zinc/09/22/51/693092251.db2.gz UUBLXDMFUSKDFK-UHFFFAOYSA-N 1 0 289.426 1.625 20 10 CDCDRO CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC000834646323 693095006 /nfs/dbraw/zinc/09/50/06/693095006.db2.gz CLIBLNRAESCSNU-GXTWGEPZSA-N 1 0 261.369 1.397 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000841943965 693114793 /nfs/dbraw/zinc/11/47/93/693114793.db2.gz RXCRAVSUONXAJF-GXFFZTMASA-N 1 0 295.383 1.744 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1C[NH2+]C1 ZINC000841964420 693122424 /nfs/dbraw/zinc/12/24/24/693122424.db2.gz GQTNGIYRTYKXOK-UHFFFAOYSA-N 1 0 290.411 1.504 20 10 CDCDRO OCC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000779202610 693134271 /nfs/dbraw/zinc/13/42/71/693134271.db2.gz QHQUGISGEVBQNV-MRXNPFEDSA-N 1 0 290.407 1.870 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842008700 693146915 /nfs/dbraw/zinc/14/69/15/693146915.db2.gz WNELUTUXWRZDAF-ZDUSSCGKSA-N 1 0 278.400 1.631 20 10 CDCDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1O ZINC000846213827 693163933 /nfs/dbraw/zinc/16/39/33/693163933.db2.gz KTRVIHCSPHPOCK-IUODEOHRSA-N 1 0 265.353 1.974 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000858549107 693212754 /nfs/dbraw/zinc/21/27/54/693212754.db2.gz SDZPHOSELVXRKB-NWDGAFQWSA-N 1 0 280.368 1.118 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)c1O ZINC000858580094 693275220 /nfs/dbraw/zinc/27/52/20/693275220.db2.gz KHRXAUDGMDJSGW-UWVGGRQHSA-N 1 0 282.340 1.460 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(Cl)cc1O ZINC000841765273 693340702 /nfs/dbraw/zinc/34/07/02/693340702.db2.gz WYTLMGVPBKQZRF-ONGXEEELSA-N 1 0 272.776 1.619 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC3=[NH+]CCN3C)C2)cc1 ZINC000849044163 693368274 /nfs/dbraw/zinc/36/82/74/693368274.db2.gz XEWQHVUNIGGSTP-CYBMUJFWSA-N 1 0 288.395 1.413 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000827119122 693393134 /nfs/dbraw/zinc/39/31/34/693393134.db2.gz IJMCOAAIANOLKE-CQSZACIVSA-N 1 0 262.353 1.299 20 10 CDCDRO C[NH+](C)C[C@@](C)(O)CNCc1ccc2c(c1)CCCO2 ZINC000921930208 693409874 /nfs/dbraw/zinc/40/98/74/693409874.db2.gz IIZNOYWGKIEAND-INIZCTEOSA-N 1 0 278.396 1.414 20 10 CDCDRO C/C=C/C[C@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883090042 694687876 /nfs/dbraw/zinc/68/78/76/694687876.db2.gz AUQFGMRGEUIQMN-PGLGOXFNSA-N 1 0 251.326 1.818 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876798689 693436699 /nfs/dbraw/zinc/43/66/99/693436699.db2.gz LLBBFIHRRNYQOM-LLVKDONJSA-N 1 0 250.342 1.515 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825104386 693475987 /nfs/dbraw/zinc/47/59/87/693475987.db2.gz VWDQVZMMHUSDSJ-ZYHUDNBSSA-N 1 0 251.326 1.746 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CC(=O)N(CC)C2)c(O)c1 ZINC000824887366 693478157 /nfs/dbraw/zinc/47/81/57/693478157.db2.gz VDROGZVMNZFZSF-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO CCCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CC[NH2+]C1 ZINC000843052475 694749527 /nfs/dbraw/zinc/74/95/27/694749527.db2.gz LYTSICHITSCJQE-ZDUSSCGKSA-N 1 0 294.395 1.983 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000183614272 694754017 /nfs/dbraw/zinc/75/40/17/694754017.db2.gz AEZPWROXGRCVSV-QWRGUYRKSA-N 1 0 260.337 1.806 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1C ZINC000817418973 694789739 /nfs/dbraw/zinc/78/97/39/694789739.db2.gz MVBUZQBSIXAUKY-CYBMUJFWSA-N 1 0 287.367 1.485 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000322527530 694815776 /nfs/dbraw/zinc/81/57/76/694815776.db2.gz OJCOQAGTHPIMIP-IUCAKERBSA-N 1 0 254.305 1.707 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000093641326 694612573 /nfs/dbraw/zinc/61/25/73/694612573.db2.gz QZRZCHGZEFLGRU-HOTGVXAUSA-N 1 0 275.396 1.267 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CN(C)CC(C)(C)[NH3+])cc1 ZINC000852753440 694617327 /nfs/dbraw/zinc/61/73/27/694617327.db2.gz BCNDJNFOMDDDNO-UHFFFAOYSA-N 1 0 292.427 1.038 20 10 CDCDRO CN(C(=O)CN1CCCc2cc(C[NH3+])ccc21)C1CC1 ZINC000062801610 694628925 /nfs/dbraw/zinc/62/89/25/694628925.db2.gz BSFZJZIZWQHVCQ-UHFFFAOYSA-N 1 0 273.380 1.519 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCNC(=O)CC2)c1 ZINC000396729239 694637686 /nfs/dbraw/zinc/63/76/86/694637686.db2.gz COTRUJLGIVJINC-WDEREUQCSA-N 1 0 278.352 1.720 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c(O)c1 ZINC000858602427 694691684 /nfs/dbraw/zinc/69/16/84/694691684.db2.gz ZBQVFSRYWWYXPX-STQMWFEESA-N 1 0 264.369 1.418 20 10 CDCDRO COc1cc(Cl)cc(CN(C)[C@@H]2CC[NH2+]C2)c1O ZINC000229103453 694731081 /nfs/dbraw/zinc/73/10/81/694731081.db2.gz QHGMXRKPQKKSBQ-LLVKDONJSA-N 1 0 270.760 1.848 20 10 CDCDRO CCC[NH2+]CCNCc1cc(OC)c(OC)cc1O ZINC000841046804 694761642 /nfs/dbraw/zinc/76/16/42/694761642.db2.gz NVKIVSQLQCVHCX-UHFFFAOYSA-N 1 0 268.357 1.499 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886260486 694774714 /nfs/dbraw/zinc/77/47/14/694774714.db2.gz YNLCDRJTJIHXFP-KFKUMKOWSA-N 1 0 285.771 1.800 20 10 CDCDRO C[NH2+]CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817942270 694801470 /nfs/dbraw/zinc/80/14/70/694801470.db2.gz ZSGOIUYVBPUFMN-SNVBAGLBSA-N 1 0 266.341 1.439 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)OC ZINC000921980317 694837066 /nfs/dbraw/zinc/83/70/66/694837066.db2.gz QILKMYCSKCXVPC-CQSZACIVSA-N 1 0 265.353 1.763 20 10 CDCDRO CN(C)c1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1F ZINC000188135959 694843289 /nfs/dbraw/zinc/84/32/89/694843289.db2.gz OQYRVRXNYFEALP-UHFFFAOYSA-N 1 0 291.326 1.873 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)C(=O)N(C)CC)c1O ZINC000709487323 694850721 /nfs/dbraw/zinc/85/07/21/694850721.db2.gz ZZXTYZZCBSIYDF-LLVKDONJSA-N 1 0 264.369 1.911 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1OC ZINC000788268915 694859966 /nfs/dbraw/zinc/85/99/66/694859966.db2.gz INYVAHPWGJCSNW-MWLCHTKSSA-N 1 0 267.325 1.365 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)NCCc1ccc(N)cc1 ZINC000841749085 694862005 /nfs/dbraw/zinc/86/20/05/694862005.db2.gz AARNZWOSHRUVHC-GFCCVEGCSA-N 1 0 278.400 1.451 20 10 CDCDRO CC[C@@]1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000785513130 694881919 /nfs/dbraw/zinc/88/19/19/694881919.db2.gz CYWJMEBRRZYZJP-ZBFHGGJFSA-N 1 0 293.363 1.819 20 10 CDCDRO Oc1c(C[NH+]2CC(N3CC[C@@H](O)C3)C2)ccc2ccccc21 ZINC000846067248 694882507 /nfs/dbraw/zinc/88/25/07/694882507.db2.gz BJEJWOJZBGFTIF-MRXNPFEDSA-N 1 0 298.386 1.796 20 10 CDCDRO C[C@H]1CN(CC[NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000834567218 694886219 /nfs/dbraw/zinc/88/62/19/694886219.db2.gz ZTCFWUZVSKIQEC-JSGCOSHPSA-N 1 0 276.380 1.690 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCN(C)CC(F)F ZINC000858336699 695110080 /nfs/dbraw/zinc/11/00/80/695110080.db2.gz PUQIBYKYCJFXOD-UHFFFAOYSA-N 1 0 274.311 1.687 20 10 CDCDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001576532110 1171448475 /nfs/dbraw/zinc/44/84/75/1171448475.db2.gz ZFPIQGHZJDYADW-IAQYHMDHSA-N 1 0 278.352 1.622 20 10 CDCDRO O=C(Cc1ccc(O)c(O)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC001580570263 1172471281 /nfs/dbraw/zinc/47/12/81/1172471281.db2.gz URYALKBUEIKLAM-UHFFFAOYSA-N 1 0 298.342 1.560 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC(=O)NCC(C)C)c1 ZINC000134653855 1175820204 /nfs/dbraw/zinc/82/02/04/1175820204.db2.gz NRSCEYDNBKHTIH-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN(C)CCN2C)cc1Cl ZINC000825266886 723084365 /nfs/dbraw/zinc/08/43/65/723084365.db2.gz NNEYESHLZGTSOZ-ZDUSSCGKSA-N 1 0 297.830 1.689 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000842005689 723126344 /nfs/dbraw/zinc/12/63/44/723126344.db2.gz JMJOSTDDWSMPPG-UWVGGRQHSA-N 1 0 281.356 1.498 20 10 CDCDRO Cn1ccc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000700903798 723136092 /nfs/dbraw/zinc/13/60/92/723136092.db2.gz GSIMKICGDDLIHE-UHFFFAOYSA-N 1 0 256.353 1.832 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884222957 723209214 /nfs/dbraw/zinc/20/92/14/723209214.db2.gz FTUWQLHDQNRQHV-HNNXBMFYSA-N 1 0 289.423 1.923 20 10 CDCDRO CCc1cccc(C[NH2+]CCNc2cnccn2)c1O ZINC000848898075 723273983 /nfs/dbraw/zinc/27/39/83/723273983.db2.gz PTHZVIRUYNJRDW-UHFFFAOYSA-N 1 0 272.352 1.946 20 10 CDCDRO COC[C@@]1(CN[C@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000817974195 723285856 /nfs/dbraw/zinc/28/58/56/723285856.db2.gz JDRCWKBLFUYMTL-WBMJQRKESA-N 1 0 294.395 1.820 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000069172824 723318813 /nfs/dbraw/zinc/31/88/13/723318813.db2.gz PWVNWPSABVLFFR-UHFFFAOYSA-N 1 0 277.773 1.570 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000834902510 723358134 /nfs/dbraw/zinc/35/81/34/723358134.db2.gz BWMXWULGXGXYQZ-MPKXVKKWSA-N 1 0 251.326 1.847 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN2C)cc1F ZINC000922575905 723360086 /nfs/dbraw/zinc/36/00/86/723360086.db2.gz OGNYYGYXRKOUHI-GFCCVEGCSA-N 1 0 251.349 1.685 20 10 CDCDRO CCn1cccc(C[NH2+]Cc2ccccc2O)c1=O ZINC000788524751 723362395 /nfs/dbraw/zinc/36/23/95/723362395.db2.gz SXWNRMMMQBKXJU-UHFFFAOYSA-N 1 0 258.321 1.864 20 10 CDCDRO CN(C)c1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000846067485 723504786 /nfs/dbraw/zinc/50/47/86/723504786.db2.gz GKCWARQXZJITSQ-MRXNPFEDSA-N 1 0 275.396 1.003 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CNC[C@H]1CCCC[NH2+]1 ZINC000841033197 723593428 /nfs/dbraw/zinc/59/34/28/723593428.db2.gz PBJVCIDZBBLTJK-MRXNPFEDSA-N 1 0 289.423 1.755 20 10 CDCDRO CC(C)OCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299825 723620972 /nfs/dbraw/zinc/62/09/72/723620972.db2.gz JWKQQUNZLSXHAM-OAHLLOKOSA-N 1 0 293.411 1.684 20 10 CDCDRO CCS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000390313131 723628900 /nfs/dbraw/zinc/62/89/00/723628900.db2.gz CZDWLBUKYABFPC-LBPRGKRZSA-N 1 0 299.440 1.343 20 10 CDCDRO C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)[C@H](C[NH3+])C1 ZINC000851666150 723650544 /nfs/dbraw/zinc/65/05/44/723650544.db2.gz ZIWBVAOWOCLWCV-DOMZBBRYSA-N 1 0 290.411 1.580 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnnn1C ZINC000924575237 723654788 /nfs/dbraw/zinc/65/47/88/723654788.db2.gz SSPOGVWWDVUWMH-NSHDSACASA-N 1 0 259.357 1.732 20 10 CDCDRO Nc1ccc(CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000040766867 723659819 /nfs/dbraw/zinc/65/98/19/723659819.db2.gz BYDTXZAORXMYBH-UHFFFAOYSA-N 1 0 275.396 1.804 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843045450 723661650 /nfs/dbraw/zinc/66/16/50/723661650.db2.gz RBIDFZQTNIPKNH-CYBMUJFWSA-N 1 0 279.359 1.195 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841970230 723667286 /nfs/dbraw/zinc/66/72/86/723667286.db2.gz KOELUOOXQNCTOX-MRXNPFEDSA-N 1 0 291.395 1.923 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCOC[C@@H]1C ZINC000877150067 723667735 /nfs/dbraw/zinc/66/77/35/723667735.db2.gz LJBLJHXGAFNSNN-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO OC[C@@H](CCF)[NH2+]Cc1ccc(Br)cc1O ZINC000826143154 723668387 /nfs/dbraw/zinc/66/83/87/723668387.db2.gz TZJPXQUTFDDHKF-SNVBAGLBSA-N 1 0 292.148 1.965 20 10 CDCDRO C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[NH+](C)C ZINC000874154685 723669696 /nfs/dbraw/zinc/66/96/96/723669696.db2.gz JSVLXVKGXZKOGO-CYBMUJFWSA-N 1 0 291.395 1.090 20 10 CDCDRO CN1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CC1=O ZINC000816544422 723681742 /nfs/dbraw/zinc/68/17/42/723681742.db2.gz IDJQQASJBFJFCM-CYBMUJFWSA-N 1 0 270.332 1.866 20 10 CDCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)C[NH2+]1 ZINC000843119761 723690739 /nfs/dbraw/zinc/69/07/39/723690739.db2.gz IROLQJLTTCHIBW-NXEZZACHSA-N 1 0 264.325 1.303 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(O)c1 ZINC000799347937 723144694 /nfs/dbraw/zinc/14/46/94/723144694.db2.gz SLHAOQYWFPRMDX-QMTHXVAHSA-N 1 0 278.352 1.405 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000840916486 723253885 /nfs/dbraw/zinc/25/38/85/723253885.db2.gz AFDODXPLKUZCIV-HNNXBMFYSA-N 1 0 275.396 1.724 20 10 CDCDRO COc1ccc(O)c(CNC(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000806810987 723306817 /nfs/dbraw/zinc/30/68/17/723306817.db2.gz QHPNYXOGANVADF-JTQLQIEISA-N 1 0 281.356 1.150 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C)OCCO1 ZINC000840937499 723349610 /nfs/dbraw/zinc/34/96/10/723349610.db2.gz VGEHAEJXJQSODI-UHFFFAOYSA-N 1 0 264.369 1.914 20 10 CDCDRO CC[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC000804381488 723357598 /nfs/dbraw/zinc/35/75/98/723357598.db2.gz OPDCBJXEZLQYLS-HWPRWLFBSA-N 1 0 290.363 1.664 20 10 CDCDRO O=C(NCc1ccc(O)c(O)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000821070831 723560966 /nfs/dbraw/zinc/56/09/66/723560966.db2.gz OCARDANOAWFKEQ-CYBMUJFWSA-N 1 0 290.363 1.731 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706883663 723639013 /nfs/dbraw/zinc/63/90/13/723639013.db2.gz UCWDVEMWFJQPLD-ZETCQYMHSA-N 1 0 287.157 1.508 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000069140885 723579802 /nfs/dbraw/zinc/57/98/02/723579802.db2.gz JHFXXYDQZDFIBY-LLVKDONJSA-N 1 0 285.365 1.068 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126367860 723583861 /nfs/dbraw/zinc/58/38/61/723583861.db2.gz AJDWQDXNUWGJQY-SNVBAGLBSA-N 1 0 266.341 1.558 20 10 CDCDRO C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000874001278 723666713 /nfs/dbraw/zinc/66/67/13/723666713.db2.gz CQYMXQABBFOIFH-CYBMUJFWSA-N 1 0 275.396 1.853 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000866489828 1164786691 /nfs/dbraw/zinc/78/66/91/1164786691.db2.gz WRAMTCBTUZZEDJ-USWWRNFRSA-N 1 0 251.326 1.965 20 10 CDCDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877048647 1165965268 /nfs/dbraw/zinc/96/52/68/1165965268.db2.gz NRAZQAPSEHQUMZ-GWCFXTLKSA-N 1 0 255.383 1.903 20 10 CDCDRO COCCC[N@H+](CCO)Cc1c(C)cccc1O ZINC000877462732 1166040525 /nfs/dbraw/zinc/04/05/25/1166040525.db2.gz UJGSIFAKINOMEK-UHFFFAOYSA-N 1 0 253.342 1.531 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H](C)O1 ZINC000877465166 1166043186 /nfs/dbraw/zinc/04/31/86/1166043186.db2.gz VNKFYHCCZPIJHV-STQMWFEESA-N 1 0 265.353 1.936 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC2(C[NH3+])CC2)cc1 ZINC000825973989 1166049864 /nfs/dbraw/zinc/04/98/64/1166049864.db2.gz XICBFZOAYSQMAR-UHFFFAOYSA-N 1 0 261.369 1.498 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC001120681581 912330057 /nfs/dbraw/zinc/33/00/57/912330057.db2.gz LOABXQVNTHQXMX-UHFFFAOYSA-N 1 0 288.395 1.649 20 10 CDCDRO Cc1ccc(C)c(CN2CCO[C@@H](C[NH+](C)C)C2)c1O ZINC001140178579 895201214 /nfs/dbraw/zinc/20/12/14/895201214.db2.gz PJNYTVICZJGRSO-AWEZNQCLSA-N 1 0 278.396 1.771 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c(O)c1 ZINC001272626432 914209726 /nfs/dbraw/zinc/20/97/26/914209726.db2.gz XAHQWTNIHXSISD-MRXNPFEDSA-N 1 0 290.363 1.598 20 10 CDCDRO CC(C)(O)C[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000179567792 898076520 /nfs/dbraw/zinc/07/65/20/898076520.db2.gz WZNZGDNFIVWWJC-UHFFFAOYSA-N 1 0 264.369 1.281 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC3(C2)OCCO3)c1O ZINC000093013199 898130319 /nfs/dbraw/zinc/13/03/19/898130319.db2.gz NMHRISWEETXCRW-UHFFFAOYSA-N 1 0 279.336 1.740 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000692838635 900604641 /nfs/dbraw/zinc/60/46/41/900604641.db2.gz KNSBEDRLVAHVIA-LBPRGKRZSA-N 1 0 283.393 1.794 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC001236284181 914853774 /nfs/dbraw/zinc/85/37/74/914853774.db2.gz BAUHWZQBTLGMNL-KOLCDFICSA-N 1 0 268.744 1.458 20 10 CDCDRO [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001137832665 936417919 /nfs/dbraw/zinc/41/79/19/936417919.db2.gz CWWXILAXJJLBGL-MNOVXSKESA-N 1 0 251.301 2.000 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000827141809 936493180 /nfs/dbraw/zinc/49/31/80/936493180.db2.gz YCSDTELEKDGMIF-YPMHNXCESA-N 1 0 290.363 1.501 20 10 CDCDRO CN1CCCc2cc(CN3CC[NH+](C)CC3)ccc21 ZINC001138354045 936525147 /nfs/dbraw/zinc/52/51/47/936525147.db2.gz RWJKCTOQBMBNTJ-UHFFFAOYSA-N 1 0 259.397 1.816 20 10 CDCDRO COc1ccc(CNC(=O)C2CC[NH2+]CC2)c(O)c1 ZINC000832177847 936563315 /nfs/dbraw/zinc/56/33/15/936563315.db2.gz HYZONBITDAOICQ-UHFFFAOYSA-N 1 0 264.325 1.017 20 10 CDCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827321329 936587296 /nfs/dbraw/zinc/58/72/96/936587296.db2.gz VEJMOBCHUDQXCZ-UHFFFAOYSA-N 1 0 293.436 1.466 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000827341032 936587985 /nfs/dbraw/zinc/58/79/85/936587985.db2.gz QNFBSSJWBOZQFX-CQSZACIVSA-N 1 0 261.369 1.511 20 10 CDCDRO COC(=O)CN(C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258953 936611878 /nfs/dbraw/zinc/61/18/78/936611878.db2.gz BWUXXRMZLINMLG-UHFFFAOYSA-N 1 0 296.367 1.067 20 10 CDCDRO Nc1ccc(CC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000392248863 936663642 /nfs/dbraw/zinc/66/36/42/936663642.db2.gz STRADPFOPPCOIB-UHFFFAOYSA-N 1 0 259.353 1.189 20 10 CDCDRO C[N@H+](C1CN(Cc2cc(F)ccc2O)C1)[C@H]1CCOC1 ZINC001140055385 936674566 /nfs/dbraw/zinc/67/45/66/936674566.db2.gz UJJJSOKZDRTIGV-ZDUSSCGKSA-N 1 0 280.343 1.436 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001140056467 936675117 /nfs/dbraw/zinc/67/51/17/936675117.db2.gz YDHZHIGWLZPAKR-CYBMUJFWSA-N 1 0 289.310 1.975 20 10 CDCDRO O=C1NCC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]12 ZINC001140058820 936675281 /nfs/dbraw/zinc/67/52/81/936675281.db2.gz MXKCPXHTVLFGQP-JOYOIKCWSA-N 1 0 264.300 1.099 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1O ZINC001140181669 936684941 /nfs/dbraw/zinc/68/49/41/936684941.db2.gz DWCVAVXOZFDHJG-LBPRGKRZSA-N 1 0 262.353 1.672 20 10 CDCDRO Cc1ccc(C)c(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c1O ZINC001140182061 936685002 /nfs/dbraw/zinc/68/50/02/936685002.db2.gz HJCUNNYEODZIJO-ZDUSSCGKSA-N 1 0 274.364 1.816 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccccc1O ZINC000834851299 936709126 /nfs/dbraw/zinc/70/91/26/936709126.db2.gz WPRVBAMOLFVRGZ-ZIAGYGMSSA-N 1 0 278.396 1.890 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c1O ZINC001140748802 936749727 /nfs/dbraw/zinc/74/97/27/936749727.db2.gz RYNLNKOQIFDBNT-CHWSQXEVSA-N 1 0 290.363 1.601 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001140850040 936764412 /nfs/dbraw/zinc/76/44/12/936764412.db2.gz BFINQPQWNRFQBK-DZGCQCFKSA-N 1 0 282.359 1.753 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(CCCO)CC2)c(O)c1 ZINC001140948194 936782183 /nfs/dbraw/zinc/78/21/83/936782183.db2.gz XTGAUSOPMGUBMW-UHFFFAOYSA-N 1 0 264.369 1.201 20 10 CDCDRO COc1cc(O)c(CN(C)CC[NH+]2CCCC2)c(OC)c1 ZINC001141029445 936794841 /nfs/dbraw/zinc/79/48/41/936794841.db2.gz RTYVDTALKNUIJS-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)CC[C@@H]21 ZINC001141163195 936824093 /nfs/dbraw/zinc/82/40/93/936824093.db2.gz UPZJYUPIUDHCJR-FZMZJTMJSA-N 1 0 290.363 1.541 20 10 CDCDRO C[NH+](C)C1(CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000922986262 923420786 /nfs/dbraw/zinc/42/07/86/923420786.db2.gz GGNJCYDRKRPIPU-UHFFFAOYSA-N 1 0 297.786 1.939 20 10 CDCDRO C[NH+](C)CCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193209644 923534121 /nfs/dbraw/zinc/53/41/21/923534121.db2.gz MTHHCXKTJSWWLT-UHFFFAOYSA-N 1 0 258.705 1.043 20 10 CDCDRO CCOc1ccc(C[NH+]2CC(C(C)(C)O)C2)c(O)c1 ZINC000839140112 936906271 /nfs/dbraw/zinc/90/62/71/936906271.db2.gz NVKHYAXDVKIVFJ-UHFFFAOYSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000840964250 936969970 /nfs/dbraw/zinc/96/99/70/936969970.db2.gz VIEPOXBNNURQAI-RDJZCZTQSA-N 1 0 292.423 1.938 20 10 CDCDRO Oc1c(F)cccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105256 936975940 /nfs/dbraw/zinc/97/59/40/936975940.db2.gz DIXYBRCAEBLCPO-AWEZNQCLSA-N 1 0 250.317 1.859 20 10 CDCDRO COC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000775804373 925274943 /nfs/dbraw/zinc/27/49/43/925274943.db2.gz ITLDIMVSCQEZGP-VIFPVBQESA-N 1 0 255.314 1.534 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832236 937017028 /nfs/dbraw/zinc/01/70/28/937017028.db2.gz LJDOIBHTPVPAGQ-ZDUSSCGKSA-N 1 0 288.395 1.599 20 10 CDCDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406391 927427740 /nfs/dbraw/zinc/42/77/40/927427740.db2.gz FNNCVGFUGYRFKW-SUMWQHHRSA-N 1 0 290.407 1.915 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1CO ZINC000857061806 928657690 /nfs/dbraw/zinc/65/76/90/928657690.db2.gz VWWHBBRYWXVRRV-CMPLNLGQSA-N 1 0 253.317 1.982 20 10 CDCDRO OC[C@@H](CCF)[NH2+]Cc1c(O)cccc1Br ZINC000858184572 928811481 /nfs/dbraw/zinc/81/14/81/928811481.db2.gz SLYFDUWDSZHXMJ-MRVPVSSYSA-N 1 0 292.148 1.965 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858165401 928813058 /nfs/dbraw/zinc/81/30/58/928813058.db2.gz HEMZTAUWJNGBEL-JTQLQIEISA-N 1 0 274.311 1.128 20 10 CDCDRO Cc1nccn1-c1cc(NCc2ccc(O)c(O)c2)ncn1 ZINC001169991057 928864079 /nfs/dbraw/zinc/86/40/79/928864079.db2.gz XLECSNDGLQZXMF-UHFFFAOYSA-N 1 0 297.318 1.994 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000691482116 928997491 /nfs/dbraw/zinc/99/74/91/928997491.db2.gz JMCYVNXNVBFZBD-AWEZNQCLSA-N 1 0 251.326 1.196 20 10 CDCDRO CC[NH2+]CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817942645 930640270 /nfs/dbraw/zinc/64/02/70/930640270.db2.gz BUHCPHWBGUBNSV-JTQLQIEISA-N 1 0 267.329 1.951 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)[NH3+] ZINC000828145100 930670958 /nfs/dbraw/zinc/67/09/58/930670958.db2.gz XUSFFJIFJMQPSY-LLVKDONJSA-N 1 0 250.342 1.868 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1C[NH2+]CCC1(F)F ZINC000717384846 930826872 /nfs/dbraw/zinc/82/68/72/930826872.db2.gz UMDAGSGYDGKAIL-JTQLQIEISA-N 1 0 270.279 1.253 20 10 CDCDRO CCOc1ccc(C[NH+]2CC(C)(C(=O)OC)C2)c(O)c1 ZINC000822534840 931169790 /nfs/dbraw/zinc/16/97/90/931169790.db2.gz YKLYOEYPYHQIED-UHFFFAOYSA-N 1 0 279.336 1.786 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC[C@H](C)CCO ZINC000824515024 931451899 /nfs/dbraw/zinc/45/18/99/931451899.db2.gz CTMJCXIAHLFXJT-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CCn2cncn2)cc1 ZINC000844399453 931594971 /nfs/dbraw/zinc/59/49/71/931594971.db2.gz JWYVYWNGTGZMLU-UHFFFAOYSA-N 1 0 289.383 1.355 20 10 CDCDRO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144503764 931863715 /nfs/dbraw/zinc/86/37/15/931863715.db2.gz CERDOXOKAUJJDX-NSHDSACASA-N 1 0 281.308 1.331 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCCC[C@@H](O)C2)c(O)c1 ZINC001144503863 931863992 /nfs/dbraw/zinc/86/39/92/931863992.db2.gz GIJBHRWNRGWWPN-SECBINFHSA-N 1 0 253.298 1.150 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCCC3(COC3)C2)c(O)c1 ZINC001144503730 931864271 /nfs/dbraw/zinc/86/42/71/931864271.db2.gz BFSJAHSERNTZQB-UHFFFAOYSA-N 1 0 265.309 1.416 20 10 CDCDRO C[N@H+](Cc1cncs1)Cc1c(O)cc(O)cc1O ZINC001144515314 931878682 /nfs/dbraw/zinc/87/86/82/931878682.db2.gz JPSSWKLMXJIODR-UHFFFAOYSA-N 1 0 266.322 1.892 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000846053492 931966390 /nfs/dbraw/zinc/96/63/90/931966390.db2.gz UUKTWHHKXZIBGK-VXGBXAGGSA-N 1 0 255.289 1.113 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC000846092340 931970929 /nfs/dbraw/zinc/97/09/29/931970929.db2.gz CPLXZTMZHFFQRH-CQSZACIVSA-N 1 0 275.396 1.711 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000795582093 934881006 /nfs/dbraw/zinc/88/10/06/934881006.db2.gz ICFSLICDAABHFW-CMPLNLGQSA-N 1 0 285.771 1.780 20 10 CDCDRO CN(CCC[NH+](C)C)C(=O)NCc1ccc(N)cc1 ZINC001120591597 937815079 /nfs/dbraw/zinc/81/50/79/937815079.db2.gz CGJUFLBLGIBOJX-UHFFFAOYSA-N 1 0 264.373 1.362 20 10 CDCDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000796498615 935309022 /nfs/dbraw/zinc/30/90/22/935309022.db2.gz XWIVZEYYGGCKNL-MNOVXSKESA-N 1 0 279.336 1.883 20 10 CDCDRO COc1cccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1O ZINC001203589725 939694778 /nfs/dbraw/zinc/69/47/78/939694778.db2.gz MDOVPIBHSDAAGH-GFCCVEGCSA-N 1 0 283.368 1.355 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c1O ZINC001203614663 939696429 /nfs/dbraw/zinc/69/64/29/939696429.db2.gz DKJFIJZYGMRNGW-CQSZACIVSA-N 1 0 292.379 1.844 20 10 CDCDRO CCOc1cccc(CN2CC(C)([NH+](C)C)C2)c1O ZINC001203613990 939696482 /nfs/dbraw/zinc/69/64/82/939696482.db2.gz LXRPGWZKOAWLNI-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)N1 ZINC001203664705 939700123 /nfs/dbraw/zinc/70/01/23/939700123.db2.gz QZJMABDYRCTWBP-UHFFFAOYSA-N 1 0 295.770 1.693 20 10 CDCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(Cl)ccc1O ZINC001203664473 939700569 /nfs/dbraw/zinc/70/05/69/939700569.db2.gz GLGNFCADBUZOTN-CYBMUJFWSA-N 1 0 284.787 1.808 20 10 CDCDRO COC(=O)CC[N@H+](Cc1ccc(O)c(O)c1)C1CC1 ZINC001203879812 939711020 /nfs/dbraw/zinc/71/10/20/939711020.db2.gz FOZKESBYSIZMND-UHFFFAOYSA-N 1 0 265.309 1.625 20 10 CDCDRO CC(C)(O)CC[NH+]1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881183 939711469 /nfs/dbraw/zinc/71/14/69/939711469.db2.gz MRXSRWFYOXFJLW-UHFFFAOYSA-N 1 0 294.395 1.376 20 10 CDCDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(O)c(O)c1 ZINC001203882494 939711740 /nfs/dbraw/zinc/71/17/40/939711740.db2.gz JGWDZQMKGLSCAA-LBPRGKRZSA-N 1 0 250.342 1.624 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275583 939749798 /nfs/dbraw/zinc/74/97/98/939749798.db2.gz WNLTXNTVKCMKAJ-GFCCVEGCSA-N 1 0 264.325 1.198 20 10 CDCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278864 939751638 /nfs/dbraw/zinc/75/16/38/939751638.db2.gz KYCRRJZMJKDWHX-OAHLLOKOSA-N 1 0 279.336 1.873 20 10 CDCDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCS1 ZINC001204277934 939751755 /nfs/dbraw/zinc/75/17/55/939751755.db2.gz PTBPKNSGUQSNBE-ZDUSSCGKSA-N 1 0 297.376 1.578 20 10 CDCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)CC[C@H]21 ZINC001204281428 939752292 /nfs/dbraw/zinc/75/22/92/939752292.db2.gz FEUIHFHSYJEBHI-BXUZGUMPSA-N 1 0 290.363 1.541 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)cc(O)c1O ZINC001204351073 939759535 /nfs/dbraw/zinc/75/95/35/939759535.db2.gz MQIJCTSOTXJNSA-RYUDHWBXSA-N 1 0 291.347 1.907 20 10 CDCDRO COc1cc(CN2CCn3cncc3C2)cc(O)c1O ZINC001204346331 939759556 /nfs/dbraw/zinc/75/95/56/939759556.db2.gz NBPIMVFFVRZOSM-UHFFFAOYSA-N 1 0 275.308 1.319 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2O)C[C@H]1C[NH3+] ZINC001205146095 939828114 /nfs/dbraw/zinc/82/81/14/939828114.db2.gz OBERFIJMUMVVFA-JOYOIKCWSA-N 1 0 264.325 1.117 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC[C@@H]1C[NH3+] ZINC001205636133 939910956 /nfs/dbraw/zinc/91/09/56/939910956.db2.gz CNFOLDORPONQJZ-DGCLKSJQSA-N 1 0 292.379 1.897 20 10 CDCDRO COc1cc(CN2C[C@H]([NH3+])CC(F)(F)C2)c(O)cc1O ZINC001206140516 939985687 /nfs/dbraw/zinc/98/56/87/939985687.db2.gz ZPZPDQJGBKCDCF-SECBINFHSA-N 1 0 288.294 1.275 20 10 CDCDRO Cc1cccc(O)c1CN1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001206146042 939986850 /nfs/dbraw/zinc/98/68/50/939986850.db2.gz OTYXPBJGJBSULG-JTQLQIEISA-N 1 0 256.296 1.869 20 10 CDCDRO C[N@@H+]1CCC2(CN(Cc3cc(Cl)c(O)cc3O)C2)C1 ZINC001276616627 940437766 /nfs/dbraw/zinc/43/77/66/940437766.db2.gz GPOCEYCXMGNGAN-UHFFFAOYSA-N 1 0 282.771 1.889 20 10 CDCDRO COc1cc(C(=O)Nc2ccc(C[NH3+])cc2)cc(O)c1O ZINC001219352962 941334715 /nfs/dbraw/zinc/33/47/15/941334715.db2.gz IADLTNQROQKMBB-UHFFFAOYSA-N 1 0 288.303 1.817 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000316661120 941491087 /nfs/dbraw/zinc/49/10/87/941491087.db2.gz XCFKRNQIMBZELC-CQSZACIVSA-N 1 0 251.326 1.651 20 10 CDCDRO Oc1cc(Cl)ccc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502276 941604119 /nfs/dbraw/zinc/60/41/19/941604119.db2.gz IDCQFEMGGPJUJV-KBPBESRZSA-N 1 0 295.814 1.571 20 10 CDCDRO [NH3+]CC1(F)CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001222548672 941612903 /nfs/dbraw/zinc/61/29/03/941612903.db2.gz XVACOJRGAXLPCF-UHFFFAOYSA-N 1 0 270.304 1.066 20 10 CDCDRO Oc1ccc(CN2CC[NH2+]C[C@]3(CCCCN3)C2)c(O)c1 ZINC001222667080 941623253 /nfs/dbraw/zinc/62/32/53/941623253.db2.gz DOKZFPOSVDIAJT-MRXNPFEDSA-N 1 0 291.395 1.015 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)Cc2ccnn21 ZINC001277441237 942576128 /nfs/dbraw/zinc/57/61/28/942576128.db2.gz JYZVSYZPFAMOBS-ZDUSSCGKSA-N 1 0 286.335 1.021 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1O ZINC001231592419 942938580 /nfs/dbraw/zinc/93/85/80/942938580.db2.gz QGUGUTIPCNOOOJ-NWANDNLSSA-N 1 0 277.364 1.672 20 10 CDCDRO Cc1cccc(C[NH+]2CC(N(C)C3COC3)C2)c1O ZINC001231594234 942939034 /nfs/dbraw/zinc/93/90/34/942939034.db2.gz ZFLRFMUZJLPDOL-UHFFFAOYSA-N 1 0 262.353 1.215 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(O)cc1O ZINC001231634455 942949293 /nfs/dbraw/zinc/94/92/93/942949293.db2.gz NESHRFROKPVBDD-PWSUYJOCSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(C[NH+]2CC3(C2)CCOC3)c(O)cc1O ZINC001231634006 942949687 /nfs/dbraw/zinc/94/96/87/942949687.db2.gz FVISEVGNIPIIDL-UHFFFAOYSA-N 1 0 265.309 1.329 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231635276 942951271 /nfs/dbraw/zinc/95/12/71/942951271.db2.gz FBOWXFNBHURQJR-UHFFFAOYSA-N 1 0 281.308 1.101 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCNC(=O)C2(C)C)c(O)c1 ZINC001231845539 943026684 /nfs/dbraw/zinc/02/66/84/943026684.db2.gz OUAJFOWFBDQQOI-UHFFFAOYSA-N 1 0 262.353 1.719 20 10 CDCDRO CC[NH+]1CCN(Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231849066 943028767 /nfs/dbraw/zinc/02/87/67/943028767.db2.gz NDAZTVOHYLUVSI-UHFFFAOYSA-N 1 0 277.412 1.899 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)cc1Cl ZINC001231868041 943035758 /nfs/dbraw/zinc/03/57/58/943035758.db2.gz PMTGAZZVNMTPGF-GJZGRUSLSA-N 1 0 299.798 1.919 20 10 CDCDRO CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232838305 943414140 /nfs/dbraw/zinc/41/41/40/943414140.db2.gz CYGCCZYTEWIJTM-HNNXBMFYSA-N 1 0 277.412 1.984 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC3(C2)OCCO3)c(O)c1 ZINC001232838755 943415650 /nfs/dbraw/zinc/41/56/50/943415650.db2.gz IQOGLLWBEKFBIS-UHFFFAOYSA-N 1 0 278.352 1.407 20 10 CDCDRO OCC[C@@H]1CC12CC[NH+](Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233014211 943463030 /nfs/dbraw/zinc/46/30/30/943463030.db2.gz MYWMXMNUDGLYFT-GFCCVEGCSA-N 1 0 293.363 1.788 20 10 CDCDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001233015711 943463171 /nfs/dbraw/zinc/46/31/71/943463171.db2.gz YJWLHVCXKJJFJA-OAHLLOKOSA-N 1 0 278.352 1.331 20 10 CDCDRO CC[N@H+]1C[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]2C1 ZINC001233014966 943463459 /nfs/dbraw/zinc/46/34/59/943463459.db2.gz CNXOUEHMKLMZIF-TXEJJXNPSA-N 1 0 278.352 1.187 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1O ZINC001233482769 943591022 /nfs/dbraw/zinc/59/10/22/943591022.db2.gz BLLBUZSCGYUSJZ-BMIGLBTASA-N 1 0 279.336 1.804 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CCCC[C@@H](O)C2)cc1O ZINC001233483152 943592697 /nfs/dbraw/zinc/59/26/97/943592697.db2.gz PFAFBWOZYIEPQH-SNVBAGLBSA-N 1 0 253.298 1.150 20 10 CDCDRO Nc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000586045115 943870234 /nfs/dbraw/zinc/87/02/34/943870234.db2.gz UCTPDQGHEFDKEG-UHFFFAOYSA-N 1 0 273.380 1.759 20 10 CDCDRO Cc1cc(Cl)cc(CN2CCNC[C@@]23CC[NH2+]C3)c1O ZINC001234994168 944001537 /nfs/dbraw/zinc/00/15/37/944001537.db2.gz PWAMAIOWQDJXGF-HNNXBMFYSA-N 1 0 295.814 1.491 20 10 CDCDRO Cc1cc(O)ccc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000722233128 944186454 /nfs/dbraw/zinc/18/64/54/944186454.db2.gz XKQHKDBQZLNPKS-UHFFFAOYSA-N 1 0 284.381 1.442 20 10 CDCDRO COc1cc(C)c(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988911 944351759 /nfs/dbraw/zinc/35/17/59/944351759.db2.gz IUPBXRATRGZEJD-ABAIWWIYSA-N 1 0 262.353 1.632 20 10 CDCDRO Oc1c(CN2C[C@@H]3C[NH2+]C[C@H]32)ccc2ccccc21 ZINC001236288834 944447844 /nfs/dbraw/zinc/44/78/44/944447844.db2.gz JCDYEMOEMOPJRJ-DZGCQCFKSA-N 1 0 254.333 1.949 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC3(COC3)C2)cc1OC ZINC001236751766 944557994 /nfs/dbraw/zinc/55/79/94/944557994.db2.gz YIXISJVPMGCGQB-UHFFFAOYSA-N 1 0 265.309 1.242 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1OC ZINC001236757956 944559738 /nfs/dbraw/zinc/55/97/38/944559738.db2.gz UFACIJQOAXHPMT-NSODJVPESA-N 1 0 293.363 1.876 20 10 CDCDRO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC001236812843 944577722 /nfs/dbraw/zinc/57/77/22/944577722.db2.gz FMJUIOPRODBDQL-ZDUSSCGKSA-N 1 0 276.380 1.989 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236814144 944578322 /nfs/dbraw/zinc/57/83/22/944578322.db2.gz PLSGPKJVQHLEGN-UHFFFAOYSA-N 1 0 266.341 1.277 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237045907 944645888 /nfs/dbraw/zinc/64/58/88/944645888.db2.gz MWMOHEYTTLXGLQ-CABCVRRESA-N 1 0 279.380 1.691 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001237487655 944814358 /nfs/dbraw/zinc/81/43/58/944814358.db2.gz CWCKZRLSQUHICC-YPMHNXCESA-N 1 0 260.337 1.221 20 10 CDCDRO COc1cc(C[N@@H+]2CCOC[C@@H](C)C2)c(O)c(OC)c1 ZINC001237671575 944918273 /nfs/dbraw/zinc/91/82/73/944918273.db2.gz COHBHEUBLWTGTQ-NSHDSACASA-N 1 0 281.352 1.878 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(O)c(OC)c1 ZINC001237675653 944918640 /nfs/dbraw/zinc/91/86/40/944918640.db2.gz CIXTVKRARCLKLX-CMPLNLGQSA-N 1 0 281.352 1.755 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCN(C2CC2)C1=O ZINC001261491924 946140884 /nfs/dbraw/zinc/14/08/84/946140884.db2.gz KTLVXFHLQGEMQE-MRXNPFEDSA-N 1 0 285.391 1.661 20 10 CDCDRO COc1ccc(C[NH2+]C[C@](C)(O)C(C)C)c(O)c1OC ZINC001262361986 946608835 /nfs/dbraw/zinc/60/88/35/946608835.db2.gz CPRKVLXLUYHOIK-HNNXBMFYSA-N 1 0 283.368 1.906 20 10 CDCDRO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001262603732 946759491 /nfs/dbraw/zinc/75/94/91/946759491.db2.gz SWIRIQQNZOFQAP-NSHDSACASA-N 1 0 276.384 1.538 20 10 CDCDRO COC(=O)c1cnc(C2=CC[NH2+]C2)c2ccn(C)c21 ZINC001243110828 947021417 /nfs/dbraw/zinc/02/14/17/947021417.db2.gz RKLHIKRQHJHGIM-UHFFFAOYSA-N 1 0 257.293 1.347 20 10 CDCDRO O=C1C[C@@H]2CC([NH2+]C[C@@H](O)c3ccc(O)c(O)c3)C[C@H]2C1 ZINC001254913761 947650961 /nfs/dbraw/zinc/65/09/61/947650961.db2.gz GIDNROBMUJWGLB-XMZIXOGTSA-N 1 0 291.347 1.479 20 10 CDCDRO C[C@@H](Cc1ccccn1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001256395067 948299753 /nfs/dbraw/zinc/29/97/53/948299753.db2.gz CTPLEULLLVYQHR-ZBEGNZNMSA-N 1 0 288.347 1.747 20 10 CDCDRO CSCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258199250 948730371 /nfs/dbraw/zinc/73/03/71/948730371.db2.gz WSWFPJRGOLCWTL-ZANVPECISA-N 1 0 271.382 1.862 20 10 CDCDRO CCN1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249173604 949439254 /nfs/dbraw/zinc/43/92/54/949439254.db2.gz UFKWPXCBLSHJJD-UHFFFAOYSA-N 1 0 292.379 1.245 20 10 CDCDRO CCC[N@H+](CCOC)Cc1ccc(CC(=O)OC)cc1O ZINC001249173253 949441447 /nfs/dbraw/zinc/44/14/47/949441447.db2.gz SHSLFHWXTNUOAJ-UHFFFAOYSA-N 1 0 295.379 1.966 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)CCSC)c(O)c1 ZINC001249214219 949460420 /nfs/dbraw/zinc/46/04/20/949460420.db2.gz IBOPTFZAADYQKS-UHFFFAOYSA-N 1 0 283.393 1.903 20 10 CDCDRO CN(C)c1ccc(CNc2cc(N)ncn2)cc1F ZINC001251645385 950739338 /nfs/dbraw/zinc/73/93/38/950739338.db2.gz LSZHEVPCHOIVCL-UHFFFAOYSA-N 1 0 261.304 1.876 20 10 CDCDRO CCOC[C@@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252028777 951069982 /nfs/dbraw/zinc/06/99/82/951069982.db2.gz JNICYRKMGBDVPC-ZDUSSCGKSA-N 1 0 281.352 1.243 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(=O)NC ZINC001328758499 955460154 /nfs/dbraw/zinc/46/01/54/955460154.db2.gz HBNUGCLPCXWSEW-LLVKDONJSA-N 1 0 270.760 1.968 20 10 CDCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(Cl)cc1O ZINC001308797118 956582602 /nfs/dbraw/zinc/58/26/02/956582602.db2.gz CCNMWPQEXDYYGT-UHFFFAOYSA-N 1 0 292.788 1.027 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001308927588 956600108 /nfs/dbraw/zinc/60/01/08/956600108.db2.gz JVOXZHBGBCNTCX-UHFFFAOYSA-N 1 0 298.770 1.935 20 10 CDCDRO COc1cc(C)c(C[NH2+]C2CC(CCO)C2)c(O)c1 ZINC001308973856 956608375 /nfs/dbraw/zinc/60/83/75/956608375.db2.gz HFCRVTJXQRVMCX-UHFFFAOYSA-N 1 0 265.353 1.960 20 10 CDCDRO Nc1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001334753192 959329705 /nfs/dbraw/zinc/32/97/05/959329705.db2.gz BBLLOMGFCJKYHZ-MRXNPFEDSA-N 1 0 275.396 1.565 20 10 CDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N)cc2)CCCC1 ZINC001335910044 960095827 /nfs/dbraw/zinc/09/58/27/960095827.db2.gz DHQYUWZYRVCMJP-UHFFFAOYSA-N 1 0 290.411 1.942 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC001336284506 960287527 /nfs/dbraw/zinc/28/75/27/960287527.db2.gz AEPMLSWHNFCQFO-UHFFFAOYSA-N 1 0 273.380 1.713 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001336909290 960731963 /nfs/dbraw/zinc/73/19/63/960731963.db2.gz OKRYQXAUPJTZSF-KCQAQPDRSA-N 1 0 288.395 1.456 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC001338625376 961915995 /nfs/dbraw/zinc/91/59/95/961915995.db2.gz INJIBXMRRDWRHO-OAHLLOKOSA-N 1 0 290.411 1.595 20 10 CDCDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001343566241 964042672 /nfs/dbraw/zinc/04/26/72/964042672.db2.gz GSEMCVIFYRZXLO-ZDUSSCGKSA-N 1 0 263.385 1.896 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CN(C)C(=O)O1)c1ccc(N(C)C)cc1 ZINC001347648643 965637144 /nfs/dbraw/zinc/63/71/44/965637144.db2.gz UKFBUWPWSFXVHR-SMDDNHRTSA-N 1 0 277.368 1.854 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001573569274 1170694425 /nfs/dbraw/zinc/69/44/25/1170694425.db2.gz SXIGGSREJKPENE-RTXFEEFZSA-N 1 0 261.369 1.667 20 10 CDCDRO C[C@](C[NH3+])(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001575976941 1171309349 /nfs/dbraw/zinc/30/93/49/1171309349.db2.gz YZAJAZOTIOKUDV-CQSZACIVSA-N 1 0 289.339 1.706 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069135532 282289953 /nfs/dbraw/zinc/28/99/53/282289953.db2.gz DITLMUNHQLVVQO-CYBMUJFWSA-N 1 0 282.409 1.419 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC001579166371 1172111459 /nfs/dbraw/zinc/11/14/59/1172111459.db2.gz GSHODGPBTPPQBX-CMPLNLGQSA-N 1 0 278.352 1.203 20 10 CDCDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1O ZINC000179904361 357229277 /nfs/dbraw/zinc/22/92/77/357229277.db2.gz OVXZUIFGCHNTET-NSHDSACASA-N 1 0 283.393 1.868 20 10 CDCDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180787307 357289446 /nfs/dbraw/zinc/28/94/46/357289446.db2.gz IQJWBXCGIYFIRN-LBPRGKRZSA-N 1 0 259.346 1.735 20 10 CDCDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185819794 357581333 /nfs/dbraw/zinc/58/13/33/357581333.db2.gz XJVALCGRQLZDPR-KXMPLOMGSA-N 1 0 265.309 1.538 20 10 CDCDRO Cc1cc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)ccc1N(C)C ZINC000294417018 199031737 /nfs/dbraw/zinc/03/17/37/199031737.db2.gz DGJQNRKAFOSQGF-ZIAGYGMSSA-N 1 0 280.412 1.625 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1O ZINC000191182340 358118005 /nfs/dbraw/zinc/11/80/05/358118005.db2.gz NPJCSLCDWRIIMU-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1O ZINC000191727940 358149707 /nfs/dbraw/zinc/14/97/07/358149707.db2.gz IYAUGUGKZSFDAI-PWSUYJOCSA-N 1 0 251.326 1.461 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1O ZINC000156066091 361712259 /nfs/dbraw/zinc/71/22/59/361712259.db2.gz QCGNLESAVYTDRH-LBPRGKRZSA-N 1 0 291.351 1.000 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000282498992 364125815 /nfs/dbraw/zinc/12/58/15/364125815.db2.gz WMABHIUHLJGSFV-LJQANCHMSA-N 1 0 283.393 1.792 20 10 CDCDRO CCN(Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179557966 364992898 /nfs/dbraw/zinc/99/28/98/364992898.db2.gz YXBNCDSUVZSCET-GFCCVEGCSA-N 1 0 269.366 1.401 20 10 CDCDRO C[N@@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272378153 365213212 /nfs/dbraw/zinc/21/32/12/365213212.db2.gz FIEUYUJERDZFQX-PYEVWLCESA-N 1 0 276.336 1.179 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CCc2cnccn2)c1 ZINC000272725802 365366491 /nfs/dbraw/zinc/36/64/91/365366491.db2.gz GEZYWUQYFKGVBN-UHFFFAOYSA-N 1 0 273.336 1.865 20 10 CDCDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000183359151 365433470 /nfs/dbraw/zinc/43/34/70/365433470.db2.gz QLSCANNIEAUUKI-ZDUSSCGKSA-N 1 0 291.395 1.262 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCC2(O)CCOCC2)cc1 ZINC000285535322 368640462 /nfs/dbraw/zinc/64/04/62/368640462.db2.gz PLYQYGJHWUJSTE-UHFFFAOYSA-N 1 0 278.396 1.774 20 10 CDCDRO C[C@@H]([NH2+]CCN(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287183168 369113897 /nfs/dbraw/zinc/11/38/97/369113897.db2.gz VJKIDHDPIACPOA-CYBMUJFWSA-N 1 0 295.402 1.875 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2cnnn2C)c(O)c1 ZINC000294364376 371054959 /nfs/dbraw/zinc/05/49/59/371054959.db2.gz QNJLTNQHMIXHOC-NSHDSACASA-N 1 0 260.341 1.988 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000296082336 371407308 /nfs/dbraw/zinc/40/73/08/371407308.db2.gz XLONPFJBMSXHSQ-LERXQTSPSA-N 1 0 250.342 1.163 20 10 CDCDRO CCOC[C@@H]1CN(Cc2cc(C)cc(OC)c2O)CCO1 ZINC000530103964 374475677 /nfs/dbraw/zinc/47/56/77/374475677.db2.gz AKHVSNHSFCWCFI-AWEZNQCLSA-N 1 0 295.379 1.947 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261711275 377891032 /nfs/dbraw/zinc/89/10/32/377891032.db2.gz KLTLDSHHBWBFAQ-DLBZAZTESA-N 1 0 295.386 1.765 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293802122 378613159 /nfs/dbraw/zinc/61/31/59/378613159.db2.gz VEGJVLPSTCBVHJ-RTXFEEFZSA-N 1 0 281.352 1.591 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(N(C)C)cc1 ZINC000068801757 390388415 /nfs/dbraw/zinc/38/84/15/390388415.db2.gz RSIGQQIYGCUPFT-YOEHRIQHSA-N 1 0 290.455 1.649 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[NH+](C)C)cc1F ZINC000133553886 390936632 /nfs/dbraw/zinc/93/66/32/390936632.db2.gz MYAAIIMVEONRNJ-UHFFFAOYSA-N 1 0 282.363 1.253 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000093809037 390904328 /nfs/dbraw/zinc/90/43/28/390904328.db2.gz OEJSVRAEYUELGE-LLVKDONJSA-N 1 0 278.352 1.488 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(O)c1O ZINC000182582966 391236990 /nfs/dbraw/zinc/23/69/90/391236990.db2.gz DAIWXOMGYKHBBA-WDEREUQCSA-N 1 0 290.363 1.761 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)[C@H](C)C[NH3+])CC2)cc1 ZINC000375825133 391200206 /nfs/dbraw/zinc/20/02/06/391200206.db2.gz PIBKUQOJQVZQGH-CYBMUJFWSA-N 1 0 291.395 1.329 20 10 CDCDRO CCC[NH+]1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179440255 391205576 /nfs/dbraw/zinc/20/55/76/391205576.db2.gz VOXKQLYUOUQVES-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000179490273 391207660 /nfs/dbraw/zinc/20/76/60/391207660.db2.gz SCOAMNKPHGXDSC-CQSZACIVSA-N 1 0 274.364 1.944 20 10 CDCDRO CC(=O)N(C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179563961 391211498 /nfs/dbraw/zinc/21/14/98/391211498.db2.gz ZXWOYIWFLPZUDR-UHFFFAOYSA-N 1 0 262.353 1.835 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(O)c1 ZINC000193679904 391344057 /nfs/dbraw/zinc/34/40/57/391344057.db2.gz XIFZEAFHFHLCCD-NHYWBVRUSA-N 1 0 292.379 1.795 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1O ZINC000038044056 174051445 /nfs/dbraw/zinc/05/14/45/174051445.db2.gz HEVXQJRPADQNJI-NSHDSACASA-N 1 0 251.326 1.917 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2COCCO2)c1O ZINC000038060365 174071073 /nfs/dbraw/zinc/07/10/73/174071073.db2.gz FUSRDMSRHMCVSC-LBPRGKRZSA-N 1 0 267.325 1.296 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159826652 261195180 /nfs/dbraw/zinc/19/51/80/261195180.db2.gz UYHFSHCRIXYZSS-UHFFFAOYSA-N 1 0 292.379 1.878 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCOC1 ZINC000176088376 261265083 /nfs/dbraw/zinc/26/50/83/261265083.db2.gz IAKQSHZOSXBHCP-SNVBAGLBSA-N 1 0 265.309 1.589 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)[C@@H](C)[NH3+])CC2)cc1 ZINC000165751109 264689829 /nfs/dbraw/zinc/68/98/29/264689829.db2.gz SNJPVWXPOOXZHS-GFCCVEGCSA-N 1 0 277.368 1.081 20 10 CDCDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(F)ccc1O ZINC000368132745 267146380 /nfs/dbraw/zinc/14/63/80/267146380.db2.gz GVNLUFMFACPWSU-SECBINFHSA-N 1 0 252.289 1.242 20 10 CDCDRO CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(N)=O ZINC000282517906 276233672 /nfs/dbraw/zinc/23/36/72/276233672.db2.gz SRHLJFOFCXQMQG-LLVKDONJSA-N 1 0 293.367 1.578 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268870742 328075236 /nfs/dbraw/zinc/07/52/36/328075236.db2.gz UIZHOOZHMLLITG-DGCLKSJQSA-N 1 0 261.369 1.634 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1OC ZINC000377889772 329033643 /nfs/dbraw/zinc/03/36/43/329033643.db2.gz QKDXRBBDHPLKJD-SNVBAGLBSA-N 1 0 294.351 1.120 20 10 CDCDRO CC[C@]1(C(=O)NCCc2ccc(N)cc2)CC[NH2+]C1 ZINC000378221695 329043365 /nfs/dbraw/zinc/04/33/65/329043365.db2.gz LXUGFXQFXXHNGX-HNNXBMFYSA-N 1 0 261.369 1.317 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1O ZINC000378555494 329054601 /nfs/dbraw/zinc/05/46/01/329054601.db2.gz DFKXDSCPCCZQRU-VXGBXAGGSA-N 1 0 290.363 1.763 20 10 CDCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)[NH+](C)C ZINC000130671876 519788751 /nfs/dbraw/zinc/78/87/51/519788751.db2.gz PCWHEGVHPZVWAH-AWEZNQCLSA-N 1 0 264.369 1.937 20 10 CDCDRO CCCN1CCC[N@H+](Cc2cccc(OC)c2O)CC1=O ZINC000189211940 519852344 /nfs/dbraw/zinc/85/23/44/519852344.db2.gz BTIXNIIIDQBXEA-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280315872 521150993 /nfs/dbraw/zinc/15/09/93/521150993.db2.gz OVFQZDCUUMITDZ-TZMCWYRMSA-N 1 0 295.379 1.526 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276548155 521878132 /nfs/dbraw/zinc/87/81/32/521878132.db2.gz JYOZZPODKLHDNB-SECBINFHSA-N 1 0 282.315 1.261 20 10 CDCDRO C[NH2+]CCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000237180584 521989009 /nfs/dbraw/zinc/98/90/09/521989009.db2.gz YXVHZSDVCJTVDD-UHFFFAOYSA-N 1 0 267.348 1.508 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000093529312 522506592 /nfs/dbraw/zinc/50/65/92/522506592.db2.gz LSBBDSNNJNIQHQ-ZDUSSCGKSA-N 1 0 251.326 1.548 20 10 CDCDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc(N)cc1 ZINC000237122653 523115315 /nfs/dbraw/zinc/11/53/15/523115315.db2.gz ZYSMDMASYCLPMA-AWEZNQCLSA-N 1 0 275.396 1.612 20 10 CDCDRO COc1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1C ZINC000278541129 524097406 /nfs/dbraw/zinc/09/74/06/524097406.db2.gz XJWUVEHYEDTPTJ-OAHLLOKOSA-N 1 0 265.353 1.635 20 10 CDCDRO C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@H](C)[NH3+] ZINC000192098318 524209063 /nfs/dbraw/zinc/20/90/63/524209063.db2.gz ZABZMIGZZFWCCD-OLZOCXBDSA-N 1 0 275.396 1.886 20 10 CDCDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000292969177 524226711 /nfs/dbraw/zinc/22/67/11/524226711.db2.gz KCIOQQXZFUUKGF-BONVTDFDSA-N 1 0 279.336 1.762 20 10 CDCDRO Cc1cccc(C[NH2+]CCN2CCCOCC2)c1O ZINC000289427022 524432419 /nfs/dbraw/zinc/43/24/19/524432419.db2.gz JZPOFQMYACOLGI-UHFFFAOYSA-N 1 0 264.369 1.513 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCc2cnn(C)c2)c1 ZINC000128109050 524753681 /nfs/dbraw/zinc/75/36/81/524753681.db2.gz BZHZFWGCZRWZDT-UHFFFAOYSA-N 1 0 261.325 1.467 20 10 CDCDRO Cc1n[nH]cc1CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000050182865 525497344 /nfs/dbraw/zinc/49/73/44/525497344.db2.gz GEZIDZUUOQYFBO-UHFFFAOYSA-N 1 0 289.335 1.875 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(O)c1 ZINC000280875754 525922555 /nfs/dbraw/zinc/92/25/55/525922555.db2.gz NZQJQXFOUNTIOY-MJBXVCDLSA-N 1 0 279.380 1.996 20 10 CDCDRO c1cc(C[NH2+]CCN2CCCOCC2)cc2c1OCC2 ZINC000289407029 526427461 /nfs/dbraw/zinc/42/74/61/526427461.db2.gz HIJUYLDBQFVLLT-UHFFFAOYSA-N 1 0 276.380 1.433 20 10 CDCDRO OCC[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000278593138 527566421 /nfs/dbraw/zinc/56/64/21/527566421.db2.gz FCRNCGWKXMTAGH-CYBMUJFWSA-N 1 0 255.289 1.162 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC1(F)F ZINC000291028444 527595360 /nfs/dbraw/zinc/59/53/60/527595360.db2.gz BCABOPHLYYMZBR-JTQLQIEISA-N 1 0 275.270 1.981 20 10 CDCDRO CN(Cc1ccccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000749297047 574534554 /nfs/dbraw/zinc/53/45/54/574534554.db2.gz JVJORLPSKRAJFQ-CQSZACIVSA-N 1 0 264.369 1.281 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@]1(C)CCOC1 ZINC000733327640 575114974 /nfs/dbraw/zinc/11/49/74/575114974.db2.gz JZNHFTYKIOPXMA-AWEZNQCLSA-N 1 0 251.326 1.917 20 10 CDCDRO CN1CCC(CCO)([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000765920052 576063220 /nfs/dbraw/zinc/06/32/20/576063220.db2.gz BXPULUCNIYVPSV-UHFFFAOYSA-N 1 0 298.814 1.982 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NC)c(O)c1 ZINC000768346475 576273806 /nfs/dbraw/zinc/27/38/06/576273806.db2.gz OKHKYCTZRDMRRK-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCOC1 ZINC000768462701 576287307 /nfs/dbraw/zinc/28/73/07/576287307.db2.gz BXVMTAOLFMAOIP-YGRLFVJLSA-N 1 0 279.336 1.286 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1 ZINC000756490225 576991913 /nfs/dbraw/zinc/99/19/13/576991913.db2.gz MJUKKJRCWKYFPQ-ZDUSSCGKSA-N 1 0 291.395 1.125 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc2c(cc1O)CCCC2 ZINC000756554566 576995429 /nfs/dbraw/zinc/99/54/29/576995429.db2.gz IIPNLLLUEPQFPK-WFASDCNBSA-N 1 0 292.423 1.844 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CCC(N)=O)CC2)cc1 ZINC000757887686 577059405 /nfs/dbraw/zinc/05/94/05/577059405.db2.gz DVLXIRZYDTUMNF-UHFFFAOYSA-N 1 0 277.368 1.129 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000759173065 577156957 /nfs/dbraw/zinc/15/69/57/577156957.db2.gz MJKSDYNRISMDPS-OCCSQVGLSA-N 1 0 281.352 1.684 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000892017586 617414133 /nfs/dbraw/zinc/41/41/33/617414133.db2.gz WDKDGOLEVIVMIC-WDEREUQCSA-N 1 0 263.341 1.504 20 10 CDCDRO COc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)c(O)c1OC ZINC000892033833 617427213 /nfs/dbraw/zinc/42/72/13/617427213.db2.gz INWXWQMDPFVULB-LBPRGKRZSA-N 1 0 294.395 1.793 20 10 CDCDRO O=C(NCCC[C@@H]1CCC[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000892159781 617514485 /nfs/dbraw/zinc/51/44/85/617514485.db2.gz SUXQDZDGAOLLRH-ZDUSSCGKSA-N 1 0 289.379 1.950 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(OC)c(OC)c1O ZINC000891776233 617581757 /nfs/dbraw/zinc/58/17/57/617581757.db2.gz YJZHSOALYZVQTF-UHFFFAOYSA-N 1 0 297.351 1.794 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000045072043 617589136 /nfs/dbraw/zinc/58/91/36/617589136.db2.gz IQBRRZDPEDLUIZ-UHFFFAOYSA-N 1 0 266.341 1.407 20 10 CDCDRO C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000891812328 617602926 /nfs/dbraw/zinc/60/29/26/617602926.db2.gz AFSZIWVVWJVFQJ-SGMGOOAPSA-N 1 0 290.411 1.945 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000840963087 617848423 /nfs/dbraw/zinc/84/84/23/617848423.db2.gz PZNIGEUGKTZXJK-WFASDCNBSA-N 1 0 295.379 1.668 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H]2CCO)c(O)c1OC ZINC000893715639 617954801 /nfs/dbraw/zinc/95/48/01/617954801.db2.gz CLCMPANOIMQFME-LBPRGKRZSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(C[N@H+](C)C[C@H](C)O)c(O)c1OC ZINC000893545832 618092646 /nfs/dbraw/zinc/09/26/46/618092646.db2.gz NCXWGOKACGJWHE-VIFPVBQESA-N 1 0 255.314 1.222 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CCN2CCOCC2)c1O ZINC000893995242 618236150 /nfs/dbraw/zinc/23/61/50/618236150.db2.gz IMZIFSCNEAZHJJ-UHFFFAOYSA-N 1 0 294.395 1.473 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000894166572 618644953 /nfs/dbraw/zinc/64/49/53/618644953.db2.gz YJUZLHQFOYQKOB-LLVKDONJSA-N 1 0 299.392 1.234 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000894170622 618653428 /nfs/dbraw/zinc/65/34/28/618653428.db2.gz WWSQSHQCVSDUFL-GFCCVEGCSA-N 1 0 278.352 1.468 20 10 CDCDRO COC[C@]1(CNCc2cccc(C)c2O)CCC[NH2+]1 ZINC000841066948 618680083 /nfs/dbraw/zinc/68/00/83/618680083.db2.gz HDCWECWOHHAJOU-OAHLLOKOSA-N 1 0 264.369 1.559 20 10 CDCDRO COC(=O)c1c(C[NH2+]C[C@@H](C)O)c2cc(F)ccc2n1C ZINC000894358555 618818478 /nfs/dbraw/zinc/81/84/78/618818478.db2.gz GYNFZTPVWUARKD-SECBINFHSA-N 1 0 294.326 1.574 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000894918606 619143283 /nfs/dbraw/zinc/14/32/83/619143283.db2.gz YAXNHUMNMPPJKY-ZYHUDNBSSA-N 1 0 251.326 1.664 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c(O)c1 ZINC000895749393 619821420 /nfs/dbraw/zinc/82/14/20/619821420.db2.gz QSKIHHPCBGPFBR-ZIAGYGMSSA-N 1 0 265.353 1.720 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897681484 621070512 /nfs/dbraw/zinc/07/05/12/621070512.db2.gz VWFSETCYZZBRGY-LDYMZIIASA-N 1 0 271.744 1.867 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@H]1Cc3ccccc3[C@@H]1O)OCO2 ZINC000898392470 621718928 /nfs/dbraw/zinc/71/89/28/621718928.db2.gz IBYBWQBOBAGQQL-GUYCJALGSA-N 1 0 299.326 1.869 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(N)=O)[NH+](C)C)cc1 ZINC000899462624 622266903 /nfs/dbraw/zinc/26/69/03/622266903.db2.gz JZSFXIRDMPIVQJ-LBPRGKRZSA-N 1 0 250.346 1.024 20 10 CDCDRO CN(C)c1ccc([C@H](C[NH2+]CC2(O)CCC2)N(C)C)cc1 ZINC000905704269 626932912 /nfs/dbraw/zinc/93/29/12/626932912.db2.gz MRTQMQUDKFEFGP-INIZCTEOSA-N 1 0 291.439 1.860 20 10 CDCDRO O=C(NCc1ccc(O)cc1O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000910946934 629126425 /nfs/dbraw/zinc/12/64/25/629126425.db2.gz WDRLSBYARYFLLA-ZDUSSCGKSA-N 1 0 276.336 1.341 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CN)C(C)(C)C)c1O ZINC000841087637 695364647 /nfs/dbraw/zinc/36/46/47/695364647.db2.gz OOKNIZCFLQPIDY-LBPRGKRZSA-N 1 0 252.358 1.864 20 10 CDCDRO C[NH2+]CCCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841914650 695382827 /nfs/dbraw/zinc/38/28/27/695382827.db2.gz HZEAXXVSRHIBEH-SNVBAGLBSA-N 1 0 281.356 1.371 20 10 CDCDRO [NH3+][C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709469 695385006 /nfs/dbraw/zinc/38/50/06/695385006.db2.gz GWDQAPBNPNLECD-AWEZNQCLSA-N 1 0 288.395 1.529 20 10 CDCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(Br)cc3O)C[C@H]12 ZINC000825962989 695408803 /nfs/dbraw/zinc/40/88/03/695408803.db2.gz DIXGIZMPTBJBHT-GDNZZTSVSA-N 1 0 298.180 1.825 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123254918 695420580 /nfs/dbraw/zinc/42/05/80/695420580.db2.gz NPTDOGPYZIHKQI-UHFFFAOYSA-N 1 0 293.386 1.992 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000777222836 695492522 /nfs/dbraw/zinc/49/25/22/695492522.db2.gz UMRJVILNJHEUER-LLVKDONJSA-N 1 0 274.324 1.439 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000851680598 695522519 /nfs/dbraw/zinc/52/25/19/695522519.db2.gz IQKIXNTZLVBUNH-SNVBAGLBSA-N 1 0 251.330 1.142 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1O ZINC000843352076 695527438 /nfs/dbraw/zinc/52/74/38/695527438.db2.gz RAQBLZGUUMBRSV-AOOOYVTPSA-N 1 0 280.343 1.916 20 10 CDCDRO OCCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834851272 695584685 /nfs/dbraw/zinc/58/46/85/695584685.db2.gz WBTGTMCZIWTVGK-HUUCEWRRSA-N 1 0 290.407 1.816 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C[C@H]2CCCO2)c1 ZINC000886670460 695586112 /nfs/dbraw/zinc/58/61/12/695586112.db2.gz PQJUZNTZMGSTCX-SGMGOOAPSA-N 1 0 295.379 1.981 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c1 ZINC000814172921 695603856 /nfs/dbraw/zinc/60/38/56/695603856.db2.gz DDQFOMMCUDBEAC-NHAGDIPZSA-N 1 0 291.347 1.642 20 10 CDCDRO C[C@H](NC(=O)NCc1ccccc1O)C1=CC[N@H+](C)CC1 ZINC000781370302 695615782 /nfs/dbraw/zinc/61/57/82/695615782.db2.gz IJKBJPAKJIUBMS-LBPRGKRZSA-N 1 0 289.379 1.842 20 10 CDCDRO C[NH2+]Cc1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999328 695620768 /nfs/dbraw/zinc/62/07/68/695620768.db2.gz KYWFDVGPSJKNBO-UHFFFAOYSA-N 1 0 294.742 1.607 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c(O)c1 ZINC000799347936 695636945 /nfs/dbraw/zinc/63/69/45/695636945.db2.gz SLHAOQYWFPRMDX-IINYFYTJSA-N 1 0 278.352 1.405 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000839196365 695641246 /nfs/dbraw/zinc/64/12/46/695641246.db2.gz VAAOPQZOQFAZBL-ZDUSSCGKSA-N 1 0 260.337 1.237 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](NC(C)=O)C2)c1 ZINC000228356407 695759901 /nfs/dbraw/zinc/75/99/01/695759901.db2.gz DLEVDSUFSXKDBL-LBPRGKRZSA-N 1 0 264.325 1.111 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CSC)c1 ZINC000188224500 695790073 /nfs/dbraw/zinc/79/00/73/695790073.db2.gz LEQDZOKPCXRVIX-ZJUUUORDSA-N 1 0 271.382 1.775 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000934945182 695804997 /nfs/dbraw/zinc/80/49/97/695804997.db2.gz XHRDBABSCSTUNH-LBPRGKRZSA-N 1 0 278.352 1.587 20 10 CDCDRO C[NH2+]CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841037770 695821955 /nfs/dbraw/zinc/82/19/55/695821955.db2.gz VHRFVDNUHFZVAM-UHFFFAOYSA-N 1 0 292.383 1.894 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)CCF)c1O ZINC000846096769 695822300 /nfs/dbraw/zinc/82/23/00/695822300.db2.gz BCCRYEVGTJLBJD-JTQLQIEISA-N 1 0 277.723 1.864 20 10 CDCDRO CCN1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000391527334 695823477 /nfs/dbraw/zinc/82/34/77/695823477.db2.gz FMYMCCZVBXXSIV-VXGBXAGGSA-N 1 0 260.337 1.590 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843433836 695823790 /nfs/dbraw/zinc/82/37/90/695823790.db2.gz DZSRJBXOVYCMKW-ZIAGYGMSSA-N 1 0 293.363 1.365 20 10 CDCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944258 695836334 /nfs/dbraw/zinc/83/63/34/695836334.db2.gz YNQMTKDYVOHDKG-WFASDCNBSA-N 1 0 287.411 1.837 20 10 CDCDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1O ZINC000876781030 695847153 /nfs/dbraw/zinc/84/71/53/695847153.db2.gz IQXRJDDEBRTZAE-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000883110817 695848124 /nfs/dbraw/zinc/84/81/24/695848124.db2.gz LJGPPGXWOIYAEZ-SNVBAGLBSA-N 1 0 273.760 1.841 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000848426268 695852533 /nfs/dbraw/zinc/85/25/33/695852533.db2.gz BTOXSUUUROEHAL-SWLSCSKDSA-N 1 0 260.337 1.398 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN[C@H]1C[NH2+]CCOC1 ZINC000925497560 695857141 /nfs/dbraw/zinc/85/71/41/695857141.db2.gz HSUUWWRBSQXFJS-AWEZNQCLSA-N 1 0 263.385 1.139 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000843490084 695864228 /nfs/dbraw/zinc/86/42/28/695864228.db2.gz XMJYNXIEYFCEQL-XFOOOJQKSA-N 1 0 276.336 1.043 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)cc1C ZINC000848567495 695871155 /nfs/dbraw/zinc/87/11/55/695871155.db2.gz WYLJEPWKBDJXBX-CYBMUJFWSA-N 1 0 286.379 1.779 20 10 CDCDRO OC[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000886670233 695889709 /nfs/dbraw/zinc/88/97/09/695889709.db2.gz LDWFDWDVSJEDNB-IHRRRGAJSA-N 1 0 277.364 1.899 20 10 CDCDRO CN(CCCCS(C)(=O)=O)c1ccc(N)cc1 ZINC000706552508 695895761 /nfs/dbraw/zinc/89/57/61/695895761.db2.gz MGDANMVYYXOMNR-UHFFFAOYSA-N 1 0 256.371 1.530 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000709404006 695899736 /nfs/dbraw/zinc/89/97/36/695899736.db2.gz ADRHSURPTSIUIO-CYBMUJFWSA-N 1 0 298.408 1.078 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c(O)c1 ZINC000831217623 695933355 /nfs/dbraw/zinc/93/33/55/695933355.db2.gz DBPUELMGUXJEKO-NXEZZACHSA-N 1 0 281.356 1.326 20 10 CDCDRO C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1ccccc1O ZINC000875523706 695943072 /nfs/dbraw/zinc/94/30/72/695943072.db2.gz GNOMHNSOYDHQRQ-GFCCVEGCSA-N 1 0 295.383 1.331 20 10 CDCDRO Nc1ccc(CCNC(=O)NCCCCCC[NH3+])cc1 ZINC000831178375 695960771 /nfs/dbraw/zinc/96/07/71/695960771.db2.gz PQZHICDDSMEJDU-UHFFFAOYSA-N 1 0 278.400 1.630 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000877021935 695967262 /nfs/dbraw/zinc/96/72/62/695967262.db2.gz WUXGREKWVFAEPN-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037782476 696028970 /nfs/dbraw/zinc/02/89/70/696028970.db2.gz HIUMPHIQYDNYKA-CYBMUJFWSA-N 1 0 275.396 1.853 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000841956079 696036094 /nfs/dbraw/zinc/03/60/94/696036094.db2.gz UMDBRJSBCDPECQ-OAHLLOKOSA-N 1 0 290.411 1.628 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cocn2)cc1 ZINC000832272256 696052284 /nfs/dbraw/zinc/05/22/84/696052284.db2.gz DCBQUXCYGCQAEY-LBPRGKRZSA-N 1 0 274.324 1.170 20 10 CDCDRO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000841929223 696062412 /nfs/dbraw/zinc/06/24/12/696062412.db2.gz UYQPAEWMBSVCRK-STQMWFEESA-N 1 0 291.395 1.922 20 10 CDCDRO COCCOc1ccccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000863556426 696107133 /nfs/dbraw/zinc/10/71/33/696107133.db2.gz ROVLEGHVGKBTIH-AWEZNQCLSA-N 1 0 294.395 1.580 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)[NH3+])cc1 ZINC000841717642 696174440 /nfs/dbraw/zinc/17/44/40/696174440.db2.gz MBOAUKSSQGAJMM-LBPRGKRZSA-N 1 0 278.400 1.679 20 10 CDCDRO COc1ccc(O)c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000793586191 696206411 /nfs/dbraw/zinc/20/64/11/696206411.db2.gz GQEATZZQLWNLOZ-OLZOCXBDSA-N 1 0 294.395 1.288 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266760 696212145 /nfs/dbraw/zinc/21/21/45/696212145.db2.gz BJCUXMSMLAKBHU-OCCSQVGLSA-N 1 0 294.370 1.617 20 10 CDCDRO CC[C@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CCO1 ZINC001170171725 1162299050 /nfs/dbraw/zinc/29/90/50/1162299050.db2.gz ZRDHPYDPFFOWJA-RYUDHWBXSA-N 1 0 281.352 1.893 20 10 CDCDRO [NH3+]Cc1cccc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170315170 1162334909 /nfs/dbraw/zinc/33/49/09/1162334909.db2.gz RKQGTWPVRHWEPM-UHFFFAOYSA-N 1 0 272.304 1.851 20 10 CDCDRO C=Cn1cc(C[NH2+]Cc2ccc(OC)cc2O)cn1 ZINC000793388462 1162418231 /nfs/dbraw/zinc/41/82/31/1162418231.db2.gz OMEAZDGUVNDBPI-UHFFFAOYSA-N 1 0 259.309 1.988 20 10 CDCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C[NH+](C)C ZINC000237638946 1161243571 /nfs/dbraw/zinc/24/35/71/1161243571.db2.gz SEMSCGHLMKYHTL-GFCCVEGCSA-N 1 0 277.412 1.904 20 10 CDCDRO C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(C(=O)[O-])ccc1O ZINC001609774963 1165075608 /nfs/dbraw/zinc/07/56/08/1165075608.db2.gz XSSIJJDAFBGYEX-QMMMGPOBSA-N 1 0 252.314 1.478 20 10 CDCDRO CCNC(=O)C(C)(C)C[NH2+]Cc1c(C)cccc1O ZINC000877115640 1165978607 /nfs/dbraw/zinc/97/86/07/1165978607.db2.gz SDFTVKWODVHPIT-UHFFFAOYSA-N 1 0 264.369 1.953 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1 ZINC000878984629 1166279012 /nfs/dbraw/zinc/27/90/12/1166279012.db2.gz VYLQBCXTOIMZLC-CABCVRRESA-N 1 0 264.369 1.070 20 10 CDCDRO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001573569275 1170694848 /nfs/dbraw/zinc/69/48/48/1170694848.db2.gz SXIGGSREJKPENE-WCFLWFBJSA-N 1 0 261.369 1.667 20 10 CDCDRO C[C@@]1(NCc2c(O)cccc2Br)CC[NH2+]C1 ZINC001576545383 1171451880 /nfs/dbraw/zinc/45/18/80/1171451880.db2.gz LDZKAXOSNILKRM-GFCCVEGCSA-N 1 0 285.185 1.996 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@]2(C)CNCCO2)c(O)c1 ZINC001579145359 1172105370 /nfs/dbraw/zinc/10/53/70/1172105370.db2.gz ZBJHIEHSPLAHCK-HNNXBMFYSA-N 1 0 280.368 1.177 20 10 CDCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001580886037 1172564356 /nfs/dbraw/zinc/56/43/56/1172564356.db2.gz VNZVIIHEEABZHQ-QWRGUYRKSA-N 1 0 291.178 1.511 20 10 CDCDRO Nc1ccc(CNC(=O)[C@@H]([NH3+])C2CCCCC2)cc1 ZINC000083449302 1173461977 /nfs/dbraw/zinc/46/19/77/1173461977.db2.gz MGTYWCNCSKCDAO-AWEZNQCLSA-N 1 0 261.369 1.793 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C)c1O ZINC000846052606 725274449 /nfs/dbraw/zinc/27/44/49/725274449.db2.gz HRVAMGOTIWLAEM-CHWSQXEVSA-N 1 0 251.326 1.282 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000114375568 725347377 /nfs/dbraw/zinc/34/73/77/725347377.db2.gz BMPLLNNVJAJSHA-SNVBAGLBSA-N 1 0 285.438 1.836 20 10 CDCDRO C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964501 724401103 /nfs/dbraw/zinc/40/11/03/724401103.db2.gz AQHPGRNGWOUSDV-UFBFGSQYSA-N 1 0 265.313 1.688 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000857084364 725381453 /nfs/dbraw/zinc/38/14/53/725381453.db2.gz OKZBVGTVFCMUFD-JOYOIKCWSA-N 1 0 266.316 1.803 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000799163881 724412304 /nfs/dbraw/zinc/41/23/04/724412304.db2.gz OAMDSFCUXKIHLJ-WFASDCNBSA-N 1 0 293.363 1.819 20 10 CDCDRO CN(Cc1cc(Br)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000220106919 724430230 /nfs/dbraw/zinc/43/02/30/724430230.db2.gz XSZIZBAODXDWJC-LLVKDONJSA-N 1 0 285.185 1.948 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000846697558 723704299 /nfs/dbraw/zinc/70/42/99/723704299.db2.gz RVRPOVBSOWILMC-BETUJISGSA-N 1 0 291.395 1.327 20 10 CDCDRO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(N)cc1 ZINC000876503882 723712161 /nfs/dbraw/zinc/71/21/61/723712161.db2.gz GMYBGKSNWCFRNZ-AWEZNQCLSA-N 1 0 299.378 1.951 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000388089432 723727320 /nfs/dbraw/zinc/72/73/20/723727320.db2.gz CRWJOQMZBQSRKT-OQPBUACISA-N 1 0 267.300 1.547 20 10 CDCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877587864 723736224 /nfs/dbraw/zinc/73/62/24/723736224.db2.gz SEABURJFVSTREA-CQSZACIVSA-N 1 0 292.379 1.237 20 10 CDCDRO CCc1cccc(C[NH2+]CCCS(=O)(=O)CC)c1O ZINC000848917282 723740667 /nfs/dbraw/zinc/74/06/67/723740667.db2.gz FDYZHDXVWJHXEB-UHFFFAOYSA-N 1 0 285.409 1.869 20 10 CDCDRO Cc1ccc(C[NH2+]CC(C)(C)S(C)(=O)=O)c(O)c1 ZINC000877075896 723741247 /nfs/dbraw/zinc/74/12/47/723741247.db2.gz RUNDRFMKXRESEN-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817945047 723750090 /nfs/dbraw/zinc/75/00/90/723750090.db2.gz SCOLEXYJONDUJK-LLVKDONJSA-N 1 0 267.348 1.087 20 10 CDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873136388 723750752 /nfs/dbraw/zinc/75/07/52/723750752.db2.gz ABUJTCCIICQZOD-OAHLLOKOSA-N 1 0 289.379 1.801 20 10 CDCDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cc(F)ccc1O ZINC000817981288 723790031 /nfs/dbraw/zinc/79/00/31/723790031.db2.gz IKLSAESWJCZRQO-ZYHUDNBSSA-N 1 0 268.332 1.560 20 10 CDCDRO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000827634716 723824924 /nfs/dbraw/zinc/82/49/24/723824924.db2.gz ZQJAOYMSDWFMAI-CYBMUJFWSA-N 1 0 274.364 1.837 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1O ZINC000825023659 723928354 /nfs/dbraw/zinc/92/83/54/723928354.db2.gz GDWLPGFIEGXCCB-ZYHUDNBSSA-N 1 0 287.743 1.246 20 10 CDCDRO C[C@@H](NC(=O)CCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237554826 723946586 /nfs/dbraw/zinc/94/65/86/723946586.db2.gz QMTKXIFLXTZLGP-CYBMUJFWSA-N 1 0 291.395 1.439 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1F ZINC000862353758 723956903 /nfs/dbraw/zinc/95/69/03/723956903.db2.gz ZCATXEYDQZXKDU-HNNXBMFYSA-N 1 0 297.349 1.728 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNCCO2)c(O)c1C ZINC000817983604 723970724 /nfs/dbraw/zinc/97/07/24/723970724.db2.gz OOFIKZGLGXPUEF-QWHCGFSZSA-N 1 0 264.369 1.648 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H](C[NH3+])C2)c1O ZINC000843347921 724197816 /nfs/dbraw/zinc/19/78/16/724197816.db2.gz YEDILQGCUQDQCX-NSHDSACASA-N 1 0 280.343 1.905 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cccc(OC)c3O)C[C@@H]21 ZINC000814173291 724348865 /nfs/dbraw/zinc/34/88/65/724348865.db2.gz MQDAFTXNUWWHDX-PJXYFTJBSA-N 1 0 277.320 1.252 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000852816615 724351884 /nfs/dbraw/zinc/35/18/84/724351884.db2.gz AEQVWHJGEUQFPO-CYBMUJFWSA-N 1 0 262.353 1.739 20 10 CDCDRO Cc1cccc(O)c1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000876516021 724371691 /nfs/dbraw/zinc/37/16/91/724371691.db2.gz ISFKXQRZOYRVGS-ZDUSSCGKSA-N 1 0 264.369 1.463 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000122880225 724445127 /nfs/dbraw/zinc/44/51/27/724445127.db2.gz OVZHXFUBTYLCIE-AWEZNQCLSA-N 1 0 281.308 1.016 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000857068476 724454083 /nfs/dbraw/zinc/45/40/83/724454083.db2.gz VYWVNZPOSLXMSM-OAHLLOKOSA-N 1 0 275.396 1.771 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N(C)CC[NH3+])cc1F ZINC000841797336 724458802 /nfs/dbraw/zinc/45/88/02/724458802.db2.gz YTGLFEQIHJRMQF-UHFFFAOYSA-N 1 0 296.390 1.772 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000876748724 724467745 /nfs/dbraw/zinc/46/77/45/724467745.db2.gz GYOYJBXGXBEPLI-GFCCVEGCSA-N 1 0 251.326 1.548 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H](C)CCCC[NH3+])c(O)c1 ZINC000841994092 724484082 /nfs/dbraw/zinc/48/40/82/724484082.db2.gz HXFRQFAOVBFPNO-NSHDSACASA-N 1 0 295.383 1.718 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)C(=O)N1CCOCC1 ZINC000877077168 724505312 /nfs/dbraw/zinc/50/53/12/724505312.db2.gz YJJCVKUCGHKYFT-AWEZNQCLSA-N 1 0 292.379 1.428 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000842752340 724522714 /nfs/dbraw/zinc/52/27/14/724522714.db2.gz LMWHBRXVFZWCSI-ZYHUDNBSSA-N 1 0 257.717 1.549 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000840941436 724536713 /nfs/dbraw/zinc/53/67/13/724536713.db2.gz AKGNHMUXBPBKLQ-XJKSGUPXSA-N 1 0 278.396 1.643 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c(O)c1 ZINC000876556580 724581452 /nfs/dbraw/zinc/58/14/52/724581452.db2.gz SPDDOIGRCNDZGQ-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO [O-]c1c(Cl)cccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000775746898 724589206 /nfs/dbraw/zinc/58/92/06/724589206.db2.gz HKIBIYJXKQVVAC-GHMZBOCLSA-N 1 0 252.745 1.697 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000827377053 724607246 /nfs/dbraw/zinc/60/72/46/724607246.db2.gz OHRRKUZONBXDJQ-UHFFFAOYSA-N 1 0 279.384 1.849 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000842472402 724615505 /nfs/dbraw/zinc/61/55/05/724615505.db2.gz GIUHRRFSSUWDBY-YGRLFVJLSA-N 1 0 278.327 1.528 20 10 CDCDRO CCC[NH2+]CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841962149 724638594 /nfs/dbraw/zinc/63/85/94/724638594.db2.gz WZPNAACIDZQRDP-NSHDSACASA-N 1 0 295.383 1.761 20 10 CDCDRO C[C@@H]([NH3+])CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843356124 724649706 /nfs/dbraw/zinc/64/97/06/724649706.db2.gz GEEJTWITIMSWMS-TZMCWYRMSA-N 1 0 264.369 1.720 20 10 CDCDRO CC(C)[C@H](C[NH+](C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779523000 724680129 /nfs/dbraw/zinc/68/01/29/724680129.db2.gz XTNGYLWQKJBLMA-WOLRVDTOSA-N 1 0 292.379 1.813 20 10 CDCDRO CCOc1cccc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1O ZINC000252685365 724716051 /nfs/dbraw/zinc/71/60/51/724716051.db2.gz IAKWVHRIEWHOCA-FZMZJTMJSA-N 1 0 280.368 1.339 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000852920448 724723962 /nfs/dbraw/zinc/72/39/62/724723962.db2.gz BTTOEXUZIFCGKM-LLVKDONJSA-N 1 0 286.379 1.827 20 10 CDCDRO Cn1nccc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000381742745 724731767 /nfs/dbraw/zinc/73/17/67/724731767.db2.gz PNFYBTKYNSGXOE-CYBMUJFWSA-N 1 0 257.337 1.945 20 10 CDCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000817940121 724747614 /nfs/dbraw/zinc/74/76/14/724747614.db2.gz FJZPVDAQUZGCIC-SWLSCSKDSA-N 1 0 287.411 1.837 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1F ZINC000840974691 724754466 /nfs/dbraw/zinc/75/44/66/724754466.db2.gz FGFGZZGJFWSMFH-DOMZBBRYSA-N 1 0 282.359 1.067 20 10 CDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000777219939 724770967 /nfs/dbraw/zinc/77/09/67/724770967.db2.gz OHTFBGRSILLOPY-LSDHHAIUSA-N 1 0 295.379 1.611 20 10 CDCDRO COc1cc(C[NH2+]C[C@H](O)CO)c(O)c(C(C)(C)C)c1 ZINC000850282210 724775813 /nfs/dbraw/zinc/77/58/13/724775813.db2.gz RTXJEJYPZFQVJF-NSHDSACASA-N 1 0 283.368 1.141 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000832450103 725043944 /nfs/dbraw/zinc/04/39/44/725043944.db2.gz BINOVCOAXGWDKI-ZIAGYGMSSA-N 1 0 297.326 1.627 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1Cc1cccc(OC)c1O ZINC000133012319 725143727 /nfs/dbraw/zinc/14/37/27/725143727.db2.gz RGTFPTKHMCGBDW-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(C)cc1O ZINC000877326030 723739859 /nfs/dbraw/zinc/73/98/59/723739859.db2.gz RHCMKTCJRMXILI-HNNXBMFYSA-N 1 0 281.352 1.758 20 10 CDCDRO Cn1cc(CN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000700905317 723778092 /nfs/dbraw/zinc/77/80/92/723778092.db2.gz PVDFEWXUKLRVAN-UHFFFAOYSA-N 1 0 256.353 1.832 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000846704192 723975612 /nfs/dbraw/zinc/97/56/12/723975612.db2.gz SEBVHONTJIRYEI-ZYHUDNBSSA-N 1 0 280.368 1.721 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCC2)c1 ZINC000775362678 723991668 /nfs/dbraw/zinc/99/16/68/723991668.db2.gz HLTYRTYNDQWLQI-JTQLQIEISA-N 1 0 264.325 1.284 20 10 CDCDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(N)cc2)cn1 ZINC000841301593 724024649 /nfs/dbraw/zinc/02/46/49/724024649.db2.gz VXDHXJFMUHSXSC-UHFFFAOYSA-N 1 0 288.355 1.671 20 10 CDCDRO [NH3+]C1(CNCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000841051046 724037637 /nfs/dbraw/zinc/03/76/37/724037637.db2.gz MZQSHLUHUKSIIE-UHFFFAOYSA-N 1 0 293.386 1.633 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C[NH2+]C ZINC000092134360 724064689 /nfs/dbraw/zinc/06/46/89/724064689.db2.gz WGPNHXHQHRWOPE-CYBMUJFWSA-N 1 0 277.412 1.957 20 10 CDCDRO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])N1CC[NH+](C)CC1 ZINC000882984434 724115484 /nfs/dbraw/zinc/11/54/84/724115484.db2.gz HSSQOIADSPEJOK-NSHDSACASA-N 1 0 299.365 1.396 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+](CC(N)=O)C(C)C ZINC000840910588 724180604 /nfs/dbraw/zinc/18/06/04/724180604.db2.gz SLNHGVMZRZLJEV-UHFFFAOYSA-N 1 0 263.385 1.757 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]([NH3+])CC1CC1 ZINC000884232112 724301940 /nfs/dbraw/zinc/30/19/40/724301940.db2.gz ISOOOPJNFALCMA-CYBMUJFWSA-N 1 0 289.379 1.605 20 10 CDCDRO COC(=O)C[C@H]1COCCN1Cc1ccc(C)cc1O ZINC000877530124 725056292 /nfs/dbraw/zinc/05/62/92/725056292.db2.gz QXQICMIWMGBKJN-ZDUSSCGKSA-N 1 0 279.336 1.465 20 10 CDCDRO COc1c(O)c(CN2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843044524 725060476 /nfs/dbraw/zinc/06/04/76/725060476.db2.gz GGMSVITXJAOYAI-UHFFFAOYSA-N 1 0 281.312 1.104 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1c(C)cccc1O ZINC000877563334 725067746 /nfs/dbraw/zinc/06/77/46/725067746.db2.gz JNUSBHMXKXWREA-WFASDCNBSA-N 1 0 265.353 1.842 20 10 CDCDRO COc1cccc(C[NH2+]CC2(CO)CCC2)c1O ZINC000184372159 725123812 /nfs/dbraw/zinc/12/38/12/725123812.db2.gz UWFJXSVAFWEIRN-UHFFFAOYSA-N 1 0 251.326 1.653 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000846173478 725131875 /nfs/dbraw/zinc/13/18/75/725131875.db2.gz SHLIMEDGKZQXNW-JTQLQIEISA-N 1 0 278.352 1.707 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)CCNC(=O)C(C)C ZINC000876815975 725139386 /nfs/dbraw/zinc/13/93/86/725139386.db2.gz FNZUSKOGXKDQLQ-UHFFFAOYSA-N 1 0 264.369 1.905 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000840930883 725150434 /nfs/dbraw/zinc/15/04/34/725150434.db2.gz PRIHSQUQQADEIQ-KRWDZBQOSA-N 1 0 291.439 1.607 20 10 CDCDRO CCCN1C[C@@H](C[NH2+]Cc2c(O)cccc2OC)CC1=O ZINC000817410940 725192701 /nfs/dbraw/zinc/19/27/01/725192701.db2.gz KGRVIMGWMNUQST-GFCCVEGCSA-N 1 0 292.379 1.749 20 10 CDCDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc(N)cc1 ZINC000832082504 725246652 /nfs/dbraw/zinc/24/66/52/725246652.db2.gz NWNCOMHBRFZWFX-UHFFFAOYSA-N 1 0 261.369 1.364 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000826995116 725251491 /nfs/dbraw/zinc/25/14/91/725251491.db2.gz QSOYWVNIOOJUFI-GFCCVEGCSA-N 1 0 292.335 1.427 20 10 CDCDRO O=C1NC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CCN12 ZINC000816520053 725253816 /nfs/dbraw/zinc/25/38/16/725253816.db2.gz DXSOUCSWNQUKRV-CQSZACIVSA-N 1 0 297.358 1.755 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(CO)(OC)CC2)c1 ZINC000775203453 725256274 /nfs/dbraw/zinc/25/62/74/725256274.db2.gz KWQFXQHQAPRTNT-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000843487867 725257657 /nfs/dbraw/zinc/25/76/57/725257657.db2.gz KXPPQCXJHVHWSL-INIZCTEOSA-N 1 0 293.386 1.803 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)NCCCSc1nccs1 ZINC000851657435 725269992 /nfs/dbraw/zinc/26/99/92/725269992.db2.gz AXNKDGLDHYQEIG-SECBINFHSA-N 1 0 288.442 1.532 20 10 CDCDRO CN1CCCc2cc(CNC(=O)N[C@@H]3CC[NH2+]C3)ccc21 ZINC000841760695 725294201 /nfs/dbraw/zinc/29/42/01/725294201.db2.gz YLEOXXFAFORDSM-CQSZACIVSA-N 1 0 288.395 1.230 20 10 CDCDRO O=C(C[NH2+]C1CC1)NCCCSc1nccs1 ZINC000238163922 725296835 /nfs/dbraw/zinc/29/68/35/725296835.db2.gz YVEIBFLOLWHFLE-UHFFFAOYSA-N 1 0 271.411 1.494 20 10 CDCDRO C[C@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)[NH+](C)C ZINC000855415441 725306376 /nfs/dbraw/zinc/30/63/76/725306376.db2.gz ICMLLSPWIKIZRL-JPVGGKMYSA-N 1 0 278.352 1.567 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846143470 725310347 /nfs/dbraw/zinc/31/03/47/725310347.db2.gz GABHCFYRJQOMBO-HZMBPMFUSA-N 1 0 269.341 1.449 20 10 CDCDRO CC[C@](C)(O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876914720 725320092 /nfs/dbraw/zinc/32/00/92/725320092.db2.gz HBNMPYIZPHAEHY-KRWDZBQOSA-N 1 0 292.423 1.898 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c(O)c1 ZINC000717355855 725327570 /nfs/dbraw/zinc/32/75/70/725327570.db2.gz XALNTWXVPWQRDB-NWDGAFQWSA-N 1 0 252.358 1.274 20 10 CDCDRO COC[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCOC1 ZINC000883184369 725329205 /nfs/dbraw/zinc/32/92/05/725329205.db2.gz VELQAHMLPHWUOM-ZIAGYGMSSA-N 1 0 265.353 1.923 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000828666218 725385401 /nfs/dbraw/zinc/38/54/01/725385401.db2.gz BWCSXIAAENVEPG-TVQRCGJNSA-N 1 0 278.352 1.576 20 10 CDCDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654035 725402004 /nfs/dbraw/zinc/40/20/04/725402004.db2.gz LYIGJCBVUWMDQJ-TZMCWYRMSA-N 1 0 290.411 1.631 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c(O)c1 ZINC000840962713 725410240 /nfs/dbraw/zinc/41/02/40/725410240.db2.gz MYNILTUHVCGEPW-HIFRSBDPSA-N 1 0 295.379 1.668 20 10 CDCDRO CCc1cccc(C[NH2+]CCCc2cnn(C)n2)c1O ZINC000848914452 725411303 /nfs/dbraw/zinc/41/13/03/725411303.db2.gz NEIGLDRFMCITIC-UHFFFAOYSA-N 1 0 274.368 1.806 20 10 CDCDRO Cn1ncc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000700925830 725412920 /nfs/dbraw/zinc/41/29/20/725412920.db2.gz WTKWSUSQISPFFW-UHFFFAOYSA-N 1 0 257.341 1.227 20 10 CDCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(O)c1O ZINC000126473718 725417825 /nfs/dbraw/zinc/41/78/25/725417825.db2.gz UXJHHJKQOMIWHH-SNVBAGLBSA-N 1 0 264.325 1.264 20 10 CDCDRO O[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000188847764 725418493 /nfs/dbraw/zinc/41/84/93/725418493.db2.gz FFAMVTFIBYEPEC-NVXWUHKLSA-N 1 0 290.407 1.774 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842010852 725423214 /nfs/dbraw/zinc/42/32/14/725423214.db2.gz OTLAGWOVUJXZCW-AAEUAGOBSA-N 1 0 277.368 1.661 20 10 CDCDRO CN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740670 725435242 /nfs/dbraw/zinc/43/52/42/725435242.db2.gz ATTGMTOEWDXILD-UHFFFAOYSA-N 1 0 276.384 1.210 20 10 CDCDRO C[NH2+]CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843356447 725443593 /nfs/dbraw/zinc/44/35/93/725443593.db2.gz PYAUOFIPXIIREW-HNNXBMFYSA-N 1 0 278.396 1.983 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2cccnn2)CC1 ZINC000876665536 725446705 /nfs/dbraw/zinc/44/67/05/725446705.db2.gz WZQCDVBHGADLES-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC[C@H]2O)cc1C ZINC000858299877 725523199 /nfs/dbraw/zinc/52/31/99/725523199.db2.gz BMCNSOAXASMUNT-TZMCWYRMSA-N 1 0 251.326 1.248 20 10 CDCDRO C[C@H]([NH3+])CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000827913943 725564449 /nfs/dbraw/zinc/56/44/49/725564449.db2.gz TWTCAFCVQISYJN-NSHDSACASA-N 1 0 261.369 1.423 20 10 CDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c(C)cccc1O ZINC000877563333 725569775 /nfs/dbraw/zinc/56/97/75/725569775.db2.gz JNUSBHMXKXWREA-SWLSCSKDSA-N 1 0 265.353 1.842 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)OC)c1O ZINC000858588605 725578067 /nfs/dbraw/zinc/57/80/67/725578067.db2.gz KHRXAUDGMDJSGW-VHSXEESVSA-N 1 0 282.340 1.460 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1O ZINC000841746211 725586881 /nfs/dbraw/zinc/58/68/81/725586881.db2.gz DCPXFLGVGNIXQX-SCZZXKLOSA-N 1 0 268.744 1.927 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)c(O)c1 ZINC000841976935 725594896 /nfs/dbraw/zinc/59/48/96/725594896.db2.gz JEDHNLKPQDQNMA-LBPRGKRZSA-N 1 0 293.367 1.342 20 10 CDCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000886257505 725626747 /nfs/dbraw/zinc/62/67/47/725626747.db2.gz BUWSRBJPHCPGTE-ACHSLPGTSA-N 1 0 290.407 1.651 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCNC(=O)CC2)cc1 ZINC000396728727 725682361 /nfs/dbraw/zinc/68/23/61/725682361.db2.gz NVKGUVKGLLFMLI-CYBMUJFWSA-N 1 0 261.369 1.511 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877494625 725692611 /nfs/dbraw/zinc/69/26/11/725692611.db2.gz MQDRJUWEJGVNNT-OAHLLOKOSA-N 1 0 262.353 1.659 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](CN)C(C)(C)C)cc1OC ZINC000841086978 725907766 /nfs/dbraw/zinc/90/77/66/725907766.db2.gz GSXLRKITYPFUEU-AWEZNQCLSA-N 1 0 282.384 1.872 20 10 CDCDRO C[NH+]1CCC(C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000778916543 725956839 /nfs/dbraw/zinc/95/68/39/725956839.db2.gz KNYNBLHSOITGOW-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000861567317 725965683 /nfs/dbraw/zinc/96/56/83/725965683.db2.gz CSAZZAQUCKYKIZ-GFCCVEGCSA-N 1 0 290.411 1.558 20 10 CDCDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000796498619 725978833 /nfs/dbraw/zinc/97/88/33/725978833.db2.gz XWIVZEYYGGCKNL-WDEREUQCSA-N 1 0 279.336 1.883 20 10 CDCDRO COC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839131326 725982076 /nfs/dbraw/zinc/98/20/76/725982076.db2.gz RZYWIDWBATYJTI-UHFFFAOYSA-N 1 0 275.396 1.269 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCOC2)cc1Cn1cccn1 ZINC000873095079 726005522 /nfs/dbraw/zinc/00/55/22/726005522.db2.gz RCWHBHSVALVXBY-OAHLLOKOSA-N 1 0 287.363 1.819 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000228422563 726005845 /nfs/dbraw/zinc/00/58/45/726005845.db2.gz JBCVTKLTPRTOHW-GFCCVEGCSA-N 1 0 288.269 1.550 20 10 CDCDRO C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1ccccc1O ZINC000867834857 1164872546 /nfs/dbraw/zinc/87/25/46/1164872546.db2.gz PTOZTLVCYYECBY-LLVKDONJSA-N 1 0 286.397 1.324 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(C(=O)[O-])ccc1O ZINC001604131665 1167851402 /nfs/dbraw/zinc/85/14/02/1167851402.db2.gz BJOVOMYTAGULDJ-VHSXEESVSA-N 1 0 266.341 1.868 20 10 CDCDRO CCSC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001173283959 912412022 /nfs/dbraw/zinc/41/20/22/912412022.db2.gz AXNYOTGMWNYEAI-NOZJJQNGSA-N 1 0 271.382 1.862 20 10 CDCDRO Oc1ccc(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)cc1O ZINC001173754991 912797683 /nfs/dbraw/zinc/79/76/83/912797683.db2.gz FQBBONMANIYKMI-VXGBXAGGSA-N 1 0 289.339 1.358 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)cc1O ZINC001233483366 912822572 /nfs/dbraw/zinc/82/25/72/912822572.db2.gz XGMXBCWTTHJNMN-UWVGGRQHSA-N 1 0 271.288 1.098 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235044985 913986320 /nfs/dbraw/zinc/98/63/20/913986320.db2.gz PGTUSFSNRTUBNB-NWDGAFQWSA-N 1 0 282.771 1.990 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1O ZINC001140742796 898164598 /nfs/dbraw/zinc/16/45/98/898164598.db2.gz ZPKKLGPCYXLJDI-AAEUAGOBSA-N 1 0 269.316 1.701 20 10 CDCDRO O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000694584271 898555860 /nfs/dbraw/zinc/55/58/60/898555860.db2.gz MMKFIYFCAVOMNL-CQSZACIVSA-N 1 0 295.404 1.678 20 10 CDCDRO O=C1OCCN1C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159280 899830505 /nfs/dbraw/zinc/83/05/05/899830505.db2.gz CCFMZMDTXRAJQO-UHFFFAOYSA-N 1 0 292.335 1.514 20 10 CDCDRO CCc1cccc(C[NH2+]Cc2nnc(C)n2C)c1O ZINC000709459462 900131767 /nfs/dbraw/zinc/13/17/67/900131767.db2.gz ADKZHONSELDNFC-UHFFFAOYSA-N 1 0 260.341 1.681 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000125684243 900763596 /nfs/dbraw/zinc/76/35/96/900763596.db2.gz SSHODECMCXOQAX-UHFFFAOYSA-N 1 0 291.395 1.091 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000894270207 903674071 /nfs/dbraw/zinc/67/40/71/903674071.db2.gz UIIJTYSTMFWHSI-GFCCVEGCSA-N 1 0 251.326 1.570 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC001143103559 921258984 /nfs/dbraw/zinc/25/89/84/921258984.db2.gz FMSUWTHXNFHPPP-OCCSQVGLSA-N 1 0 279.380 1.475 20 10 CDCDRO CCN1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC1=O ZINC001172027995 911141634 /nfs/dbraw/zinc/14/16/34/911141634.db2.gz DWVDOGULXXNUGV-NSHDSACASA-N 1 0 264.325 1.198 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)COC(C)C)cc1C ZINC001124437533 936317222 /nfs/dbraw/zinc/31/72/22/936317222.db2.gz XNFJUMUNWLUVHP-UHFFFAOYSA-N 1 0 294.395 1.634 20 10 CDCDRO CC[NH+](CC)CC(=O)N1CCc2cccc(O)c2C1 ZINC001180389939 916307944 /nfs/dbraw/zinc/30/79/44/916307944.db2.gz RIOPVCWPBOJGHP-UHFFFAOYSA-N 1 0 262.353 1.619 20 10 CDCDRO COc1cc(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)cc(O)c1O ZINC001204344919 917953105 /nfs/dbraw/zinc/95/31/05/917953105.db2.gz LHDYOTBHSLLAJE-STQMWFEESA-N 1 0 292.379 1.632 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCOC[C@@](C)(O)C3)ccc21 ZINC001138354232 936525541 /nfs/dbraw/zinc/52/55/41/936525541.db2.gz BRBXGVAQILIMBU-KRWDZBQOSA-N 1 0 290.407 1.652 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(O)c1 ZINC001203629211 919792497 /nfs/dbraw/zinc/79/24/97/919792497.db2.gz SWAXYAVRVAKRHL-SMDDNHRTSA-N 1 0 262.353 1.537 20 10 CDCDRO CC[N@H+](Cc1ccc(O)c(C)c1O)C1CN(C)C1 ZINC001140749635 936749567 /nfs/dbraw/zinc/74/95/67/936749567.db2.gz HFMVWOJLCCNLST-UHFFFAOYSA-N 1 0 250.342 1.542 20 10 CDCDRO COCC[NH+](CCOC)Cc1c(O)cc(OC)cc1OC ZINC001141031885 936795748 /nfs/dbraw/zinc/79/57/48/936795748.db2.gz NLZLBCJETKWPNE-UHFFFAOYSA-N 1 0 299.367 1.504 20 10 CDCDRO CN1CCOc2cc(CN3CC[NH+]4CCC3CC4)ccc21 ZINC001141143915 936819569 /nfs/dbraw/zinc/81/95/69/936819569.db2.gz NKVULOGZDPHGBZ-UHFFFAOYSA-N 1 0 287.407 1.795 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156761 936821427 /nfs/dbraw/zinc/82/14/27/936821427.db2.gz UEXSEKBHZNBLHC-MFKMUULPSA-N 1 0 251.326 1.691 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@H]1O ZINC001141140694 936818440 /nfs/dbraw/zinc/81/84/40/936818440.db2.gz OKUAEZCOQYKTCE-WFASDCNBSA-N 1 0 276.380 1.718 20 10 CDCDRO CC[N@H+](CCn1cccn1)Cc1cc(O)ccc1O ZINC001141161226 936822681 /nfs/dbraw/zinc/82/26/81/936822681.db2.gz PKLHMYZNDBREGG-UHFFFAOYSA-N 1 0 261.325 1.816 20 10 CDCDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162321 936822684 /nfs/dbraw/zinc/82/26/84/936822684.db2.gz PGMFSYWFLOGXNA-CYBMUJFWSA-N 1 0 262.353 1.766 20 10 CDCDRO C[N@@H+]1CCN(Cc2cc(O)ccc2O)CC1(C)C ZINC001141161507 936822824 /nfs/dbraw/zinc/82/28/24/936822824.db2.gz SOPNQRDWIZFAMR-UHFFFAOYSA-N 1 0 250.342 1.624 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(O)ccc2O)[C@H](C)C1 ZINC001141163134 936823609 /nfs/dbraw/zinc/82/36/09/936823609.db2.gz QOBPYPVIWOBKHK-LLVKDONJSA-N 1 0 250.342 1.624 20 10 CDCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(O)c(O)c2)C1 ZINC001205807056 925171460 /nfs/dbraw/zinc/17/14/60/925171460.db2.gz XQFABYXRLXMOMC-CMPLNLGQSA-N 1 0 250.342 1.657 20 10 CDCDRO [NH3+]CCN(c1cccnc1)c1nccc2c1NC(=O)C2 ZINC001168830377 927476645 /nfs/dbraw/zinc/47/66/45/927476645.db2.gz LNLLFUVOGIKUIF-UHFFFAOYSA-N 1 0 269.308 1.068 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1O ZINC000697619649 937284641 /nfs/dbraw/zinc/28/46/41/937284641.db2.gz FJFMZESZXUCJSY-VHSXEESVSA-N 1 0 257.355 1.476 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)C(=O)N(C)C)c1O ZINC000691483066 929005798 /nfs/dbraw/zinc/00/57/98/929005798.db2.gz NPGJVQALQDDNJJ-SNVBAGLBSA-N 1 0 250.342 1.521 20 10 CDCDRO CCOC(=O)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144503977 931865658 /nfs/dbraw/zinc/86/56/58/931865658.db2.gz GUPBDRQHSRQBKM-UHFFFAOYSA-N 1 0 295.335 1.579 20 10 CDCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCCOC1 ZINC001144520170 931871409 /nfs/dbraw/zinc/87/14/09/931871409.db2.gz ISIWBTOFHQGEBS-SECBINFHSA-N 1 0 253.298 1.414 20 10 CDCDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@H]1CCCCO1 ZINC001144509246 931874742 /nfs/dbraw/zinc/87/47/42/931874742.db2.gz QGLUBOIFMOWQLY-LLVKDONJSA-N 1 0 267.325 1.804 20 10 CDCDRO C[NH+](C)CCCCCNC(=O)c1cc(O)c(O)c(O)c1 ZINC001148589873 932753997 /nfs/dbraw/zinc/75/39/97/932753997.db2.gz OPFHTOJQLZGVFS-UHFFFAOYSA-N 1 0 282.340 1.265 20 10 CDCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203593420 939694684 /nfs/dbraw/zinc/69/46/84/939694684.db2.gz MEKJDQWUFPIGMO-CZUORRHYSA-N 1 0 293.363 1.496 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCOC[C@](C)(O)C2)c1O ZINC001203603273 939696179 /nfs/dbraw/zinc/69/61/79/939696179.db2.gz MGWAAGYJENFWDT-OAHLLOKOSA-N 1 0 281.352 1.374 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1 ZINC001203670347 939700593 /nfs/dbraw/zinc/70/05/93/939700593.db2.gz OJHLFJKQEXCWKI-CMPLNLGQSA-N 1 0 269.316 1.553 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(C3COC3)CC2)cc1 ZINC001203929828 939714930 /nfs/dbraw/zinc/71/49/30/939714930.db2.gz GLLMKGOWJNDKJU-UHFFFAOYSA-N 1 0 275.396 1.269 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1c(O)ccc(F)c1F ZINC001205083759 939820862 /nfs/dbraw/zinc/82/08/62/939820862.db2.gz YUSWMQGUOZYATJ-IUCAKERBSA-N 1 0 256.296 1.982 20 10 CDCDRO Cc1ccc(O)c(CN2C[C@H]([NH3+])CC(F)(F)C2)c1 ZINC001206132373 939984179 /nfs/dbraw/zinc/98/41/79/939984179.db2.gz OIEBXAIYMJPCEK-LLVKDONJSA-N 1 0 256.296 1.869 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001277456893 942623048 /nfs/dbraw/zinc/62/30/48/942623048.db2.gz DDSBUNUOLQFFCU-LBPRGKRZSA-N 1 0 294.782 1.956 20 10 CDCDRO CN1CCC[C@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565967 942930043 /nfs/dbraw/zinc/93/00/43/942930043.db2.gz FYFCJWGWLZACDP-GXTWGEPZSA-N 1 0 290.363 1.616 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c1O ZINC001231593036 942937597 /nfs/dbraw/zinc/93/75/97/942937597.db2.gz XHNMBOAFIMBPQU-HNNXBMFYSA-N 1 0 260.337 1.413 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1O ZINC001231593579 942937710 /nfs/dbraw/zinc/93/77/10/942937710.db2.gz KEELQRYBIQTLMQ-AAEUAGOBSA-N 1 0 260.337 1.269 20 10 CDCDRO Cc1cccc(C[N@H+]2CCc3nccn3CC2)c1O ZINC001231592098 942938397 /nfs/dbraw/zinc/93/83/97/942938397.db2.gz BHORFGDFTJZOQI-UHFFFAOYSA-N 1 0 257.337 1.955 20 10 CDCDRO Cc1cccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1O ZINC001231593050 942939367 /nfs/dbraw/zinc/93/93/67/942939367.db2.gz XTAUVHLXALJJBM-AWEZNQCLSA-N 1 0 277.364 1.816 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H]2CO)c(O)cc1O ZINC001231633125 942949111 /nfs/dbraw/zinc/94/91/11/942949111.db2.gz INGIYEQRPXFXJO-JTQLQIEISA-N 1 0 253.298 1.063 20 10 CDCDRO COc1cc(C[NH+]2CCC(CO)CC2)c(O)cc1O ZINC001231633464 942949942 /nfs/dbraw/zinc/94/99/42/942949942.db2.gz OYGFIZKGBBDWIK-UHFFFAOYSA-N 1 0 267.325 1.311 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(O)cc1O ZINC001231636826 942951239 /nfs/dbraw/zinc/95/12/39/942951239.db2.gz AIYOWCLNXKXRRG-GXSJLCMTSA-N 1 0 267.325 1.452 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)cc1O ZINC001231636969 942952310 /nfs/dbraw/zinc/95/23/10/942952310.db2.gz BWHNDLZSDIWWRL-JQWIXIFHSA-N 1 0 279.336 1.575 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(O)cc1O ZINC001231635351 942952329 /nfs/dbraw/zinc/95/23/29/942952329.db2.gz XEVFLWSOMDEKMT-ZUZCIYMTSA-N 1 0 281.352 1.699 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231640135 942957124 /nfs/dbraw/zinc/95/71/24/942957124.db2.gz OVEBSRLADFEERH-OAHLLOKOSA-N 1 0 295.335 1.491 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001231843521 943025363 /nfs/dbraw/zinc/02/53/63/943025363.db2.gz ZWEJJBLEYBUFBB-JKSUJKDBSA-N 1 0 279.380 1.574 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CC(N(C)[C@H]3CCOC3)C2)c(O)c1 ZINC001231846180 943026986 /nfs/dbraw/zinc/02/69/86/943026986.db2.gz HOAIWFVGYKYHNE-AWEZNQCLSA-N 1 0 290.407 1.914 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263599 943195515 /nfs/dbraw/zinc/19/55/15/943195515.db2.gz SKZYBWVNEHYSNS-LLVKDONJSA-N 1 0 298.770 1.852 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233015317 943463658 /nfs/dbraw/zinc/46/36/58/943463658.db2.gz KJOBUYYEACQTIC-NEPJUHHUSA-N 1 0 278.352 1.329 20 10 CDCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233017738 943465935 /nfs/dbraw/zinc/46/59/35/943465935.db2.gz ZTDZFBGBVAEUSQ-ONGXEEELSA-N 1 0 295.335 1.434 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233335741 943548304 /nfs/dbraw/zinc/54/83/04/943548304.db2.gz JKHNPXHLUXAQGL-UHFFFAOYSA-N 1 0 259.252 1.665 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485759 943593781 /nfs/dbraw/zinc/59/37/81/943593781.db2.gz JUXMSDBGCNDVPP-MWLCHTKSSA-N 1 0 295.335 1.434 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)cc1O)CC1(C)COC1 ZINC001233485957 943594634 /nfs/dbraw/zinc/59/46/34/943594634.db2.gz RTCICJISGQJNTM-UHFFFAOYSA-N 1 0 253.298 1.272 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C)c(O)c1O ZINC001262652799 943657072 /nfs/dbraw/zinc/65/70/72/943657072.db2.gz QDSOLLCRQZAZEW-LLVKDONJSA-N 1 0 278.352 1.620 20 10 CDCDRO Nc1ccc(CN2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023766 944014618 /nfs/dbraw/zinc/01/46/18/944014618.db2.gz WYIFIZFGXPLJEW-INIZCTEOSA-N 1 0 275.396 1.471 20 10 CDCDRO CN1CCOc2cc(CN3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235998726 944366684 /nfs/dbraw/zinc/36/66/84/944366684.db2.gz ZDUSNTWVPUDBAK-CJNGLKHVSA-N 1 0 273.380 1.438 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3C[C@@]3([NH3+])C2)c(Cl)c1 ZINC001236027014 944382092 /nfs/dbraw/zinc/38/20/92/944382092.db2.gz MYZGOZUJSGIXAP-AMIZOPFISA-N 1 0 268.744 1.587 20 10 CDCDRO COc1cc(C)c(CN(C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236121937 944409642 /nfs/dbraw/zinc/40/96/42/944409642.db2.gz HLDJSHJFKSZFRN-LBPRGKRZSA-N 1 0 264.369 1.893 20 10 CDCDRO CN1CCCc2cc(CN3C[C@@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001236286844 944446283 /nfs/dbraw/zinc/44/62/83/944446283.db2.gz LUJRIOZRURGCRJ-HOCLYGCPSA-N 1 0 257.381 1.473 20 10 CDCDRO Oc1cc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)cc1Br ZINC001236288952 944447395 /nfs/dbraw/zinc/44/73/95/944447395.db2.gz HBBNQOUTXKUEJO-PSASIEDQSA-N 1 0 299.168 1.264 20 10 CDCDRO COc1cc(C)c(C[N@H+](C)[C@H]2CCN(C)C2)c(O)c1 ZINC001236814981 944578231 /nfs/dbraw/zinc/57/82/31/944578231.db2.gz YMXUTPPIIHWEFE-LBPRGKRZSA-N 1 0 264.369 1.845 20 10 CDCDRO CN1C[C@@H]2C[N@H+](Cc3c(O)ccc(F)c3Cl)C[C@@H]2C1=O ZINC001237124609 944660499 /nfs/dbraw/zinc/66/04/99/944660499.db2.gz OCQNEGSWVNWACL-BDAKNGLRSA-N 1 0 298.745 1.705 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3c(C)cccc3O)C2)C1 ZINC001237489148 944813521 /nfs/dbraw/zinc/81/35/21/944813521.db2.gz WAMMBYWJXPAOJP-UHFFFAOYSA-N 1 0 274.364 1.755 20 10 CDCDRO COc1cc(C[N@H+](C)C2CCN(C)CC2)c(O)c(OC)c1 ZINC001237674426 944918295 /nfs/dbraw/zinc/91/82/95/944918295.db2.gz HCTUHYFCXXVVMT-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c(OC)c1 ZINC001237675007 944921481 /nfs/dbraw/zinc/92/14/81/944921481.db2.gz PXKYLINQJSPEPD-LBPRGKRZSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1cc(C[N@H+](C)CCC(=O)N(C)C)c(O)c(OC)c1 ZINC001237679755 944922464 /nfs/dbraw/zinc/92/24/64/944922464.db2.gz ZJWPZPWPBNJEBZ-UHFFFAOYSA-N 1 0 296.367 1.320 20 10 CDCDRO CC[NH+]1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238056158 945040917 /nfs/dbraw/zinc/04/09/17/945040917.db2.gz DZDDNFPBLNULCG-UHFFFAOYSA-N 1 0 252.333 1.977 20 10 CDCDRO Cn1ccc(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)cc1=O ZINC001241002185 946143367 /nfs/dbraw/zinc/14/33/67/946143367.db2.gz VJFBTXLPADNZLM-LBPRGKRZSA-N 1 0 295.346 1.172 20 10 CDCDRO Cn1ccc2c1nccc2-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241900105 946501416 /nfs/dbraw/zinc/50/14/16/946501416.db2.gz MLEUOOAKQWPKLZ-UHFFFAOYSA-N 1 0 294.362 1.440 20 10 CDCDRO Cc1ccc(C)c(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c1O ZINC001278355740 946941194 /nfs/dbraw/zinc/94/11/94/946941194.db2.gz XIHHIHWUJQMZMK-PAPYEOQZSA-N 1 0 288.391 1.999 20 10 CDCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC001255733102 948086874 /nfs/dbraw/zinc/08/68/74/948086874.db2.gz LZZVAQXQDUBWQG-QWRGUYRKSA-N 1 0 293.319 1.552 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CN1 ZINC001246899617 948508803 /nfs/dbraw/zinc/50/88/03/948508803.db2.gz FGJOVIQAUUJOJR-CABCVRRESA-N 1 0 291.395 1.088 20 10 CDCDRO CCC[N@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001249173130 949439792 /nfs/dbraw/zinc/43/97/92/949439792.db2.gz QUDMPTQDJQGKLD-UHFFFAOYSA-N 1 0 251.326 1.950 20 10 CDCDRO Oc1cc(O)c(CC[NH2+]C[C@@H](O)c2ccccc2)cc1O ZINC001252003345 951042858 /nfs/dbraw/zinc/04/28/58/951042858.db2.gz QMXJHCISJFDIQZ-MRXNPFEDSA-N 1 0 289.331 1.669 20 10 CDCDRO C[NH+]1CCC(COc2ccccc2NC[C@H](O)CO)CC1 ZINC001252066527 951114025 /nfs/dbraw/zinc/11/40/25/951114025.db2.gz DYJGYMJLEAWUDF-AWEZNQCLSA-N 1 0 294.395 1.172 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H](O)C(=O)OC(C)(C)C)c1O ZINC001253705803 952051184 /nfs/dbraw/zinc/05/11/84/952051184.db2.gz DTHXKGZXSCLMDB-LBPRGKRZSA-N 1 0 281.352 1.493 20 10 CDCDRO CCOc1ccc(N2CC[NH+]([C@H](CC)CO)CC2)cc1 ZINC001333144689 958105722 /nfs/dbraw/zinc/10/57/22/958105722.db2.gz UAJPDVTYFQUVLT-CQSZACIVSA-N 1 0 278.396 1.978 20 10 CDCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001334160803 958891715 /nfs/dbraw/zinc/89/17/15/958891715.db2.gz HEVGGSPDSVKFDP-AAEUAGOBSA-N 1 0 276.384 1.384 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3nc[nH]n3)CC2)c1 ZINC001334383949 959072027 /nfs/dbraw/zinc/07/20/27/959072027.db2.gz JJDDQGQCTQMTFA-UHFFFAOYSA-N 1 0 287.367 1.137 20 10 CDCDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334773915 959346868 /nfs/dbraw/zinc/34/68/68/959346868.db2.gz AYSVRIIXBRBYOU-OAHLLOKOSA-N 1 0 264.369 1.896 20 10 CDCDRO CC[C@@]1(C(=O)N[C@H](C)c2ccccc2O)CC[NH2+]C1 ZINC001335789815 960026556 /nfs/dbraw/zinc/02/65/56/960026556.db2.gz WOOCIVIMEUOQQB-IAQYHMDHSA-N 1 0 262.353 1.959 20 10 CDCDRO CN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(N)cc1 ZINC001337069844 960907540 /nfs/dbraw/zinc/90/75/40/960907540.db2.gz DEZGDNVUYXQDMU-UHFFFAOYSA-N 1 0 290.411 1.896 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC001338792343 961994869 /nfs/dbraw/zinc/99/48/69/961994869.db2.gz DNQVDCCPDGJAFR-UHFFFAOYSA-N 1 0 276.384 1.506 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]CCN1C ZINC001340021550 962691638 /nfs/dbraw/zinc/69/16/38/962691638.db2.gz ZLKZKFLACSIUIK-AWEZNQCLSA-N 1 0 291.395 1.034 20 10 CDCDRO Nc1ccc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC001356228061 969361691 /nfs/dbraw/zinc/36/16/91/969361691.db2.gz NKMYEYAOEJYJND-SFHVURJKSA-N 1 0 295.386 1.816 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001357792175 969655996 /nfs/dbraw/zinc/65/59/96/969655996.db2.gz UDLOXPMNIBKKDQ-CHWSQXEVSA-N 1 0 262.357 1.338 20 10 CDCDRO CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001575839110 1171280461 /nfs/dbraw/zinc/28/04/61/1171280461.db2.gz PBVGOOKVXZIZNY-GFCCVEGCSA-N 1 0 267.329 1.763 20 10 CDCDRO C[C@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C[NH2+]1 ZINC001576666347 1171484287 /nfs/dbraw/zinc/48/42/87/1171484287.db2.gz MOMBSSSLJRMVTC-ONGXEEELSA-N 1 0 297.786 1.985 20 10 CDCDRO C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[NH+](C)C ZINC000635627880 362205534 /nfs/dbraw/zinc/20/55/34/362205534.db2.gz DLKMFQKCZXELTN-LLVKDONJSA-N 1 0 277.368 1.428 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000295124862 199358563 /nfs/dbraw/zinc/35/85/63/199358563.db2.gz NTVXABGPUHFNNL-GFCCVEGCSA-N 1 0 294.351 1.673 20 10 CDCDRO OCCCN1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000295130168 199362165 /nfs/dbraw/zinc/36/21/65/199362165.db2.gz OLHQDJFCVOVWCY-GFCCVEGCSA-N 1 0 298.814 1.982 20 10 CDCDRO COc1ccc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000019505156 1172114544 /nfs/dbraw/zinc/11/45/44/1172114544.db2.gz MTVIXVMVXRKZNV-HNNXBMFYSA-N 1 0 289.423 1.817 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(C)(=O)=O)c(O)c1 ZINC000293868071 198804316 /nfs/dbraw/zinc/80/43/16/198804316.db2.gz UVFXCURVKFIYSS-LLVKDONJSA-N 1 0 271.382 1.704 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C[N@@H+]1C1CC1 ZINC000185819923 357581720 /nfs/dbraw/zinc/58/17/20/357581720.db2.gz AWOWDZAFPOIYCB-VHSXEESVSA-N 1 0 276.336 1.453 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1O ZINC000191729947 358149747 /nfs/dbraw/zinc/14/97/47/358149747.db2.gz NSQWWRJZTUVJAJ-YPMHNXCESA-N 1 0 265.353 1.851 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)[C@H](CO)SC)c1O ZINC000152486915 361281578 /nfs/dbraw/zinc/28/15/78/361281578.db2.gz AIPRDVJCJDGSGZ-MFKMUULPSA-N 1 0 285.409 1.993 20 10 CDCDRO C[C@H]([NH2+]CCCO)c1ccc(N2CCOCC2)cc1 ZINC000268726985 364086227 /nfs/dbraw/zinc/08/62/27/364086227.db2.gz RMHNMCXWCWEKNO-ZDUSSCGKSA-N 1 0 264.369 1.556 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)O ZINC000270792134 364761400 /nfs/dbraw/zinc/76/14/00/364761400.db2.gz RSQHCNNBTWXIRS-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000271187930 364966309 /nfs/dbraw/zinc/96/63/09/364966309.db2.gz KMXLFRHWQURZMV-LLVKDONJSA-N 1 0 264.325 1.063 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000271856236 365002446 /nfs/dbraw/zinc/00/24/46/365002446.db2.gz UZRDZSHURSJBBA-GFCCVEGCSA-N 1 0 284.787 1.856 20 10 CDCDRO CC[C@@H]([NH2+]CC1(CO)COC1)c1ccccc1O ZINC000271689740 364993928 /nfs/dbraw/zinc/99/39/28/364993928.db2.gz KAQSWBKMLOALQD-GFCCVEGCSA-N 1 0 251.326 1.442 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272473037 365254653 /nfs/dbraw/zinc/25/46/53/365254653.db2.gz AVFYSPLWLKZZBR-VXGBXAGGSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(F)ccc1O ZINC000273526916 365503971 /nfs/dbraw/zinc/50/39/71/365503971.db2.gz VKPHFRXHCYTQDC-TVQRCGJNSA-N 1 0 279.315 1.649 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000273576941 365508795 /nfs/dbraw/zinc/50/87/95/365508795.db2.gz MBBUUYQKYLQZNM-PSASIEDQSA-N 1 0 268.744 1.927 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)NCCF)c(O)c1 ZINC000282568708 367944895 /nfs/dbraw/zinc/94/48/95/367944895.db2.gz FGOOGCAWRCYXRJ-LLVKDONJSA-N 1 0 298.358 1.745 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000529641378 368085711 /nfs/dbraw/zinc/08/57/11/368085711.db2.gz YHCRYTZUPPHIPJ-UHFFFAOYSA-N 1 0 292.339 1.311 20 10 CDCDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000284278510 368509699 /nfs/dbraw/zinc/50/96/99/368509699.db2.gz HKNBGAHIQMJJRL-NEPJUHHUSA-N 1 0 282.359 1.418 20 10 CDCDRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccccc2O)nn1 ZINC000284293135 368510237 /nfs/dbraw/zinc/51/02/37/368510237.db2.gz IHAONNSXXIUPJQ-JTQLQIEISA-N 1 0 290.323 1.121 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCC1(O)CCOCC1)OCO2 ZINC000285365419 368617601 /nfs/dbraw/zinc/61/76/01/368617601.db2.gz BTVIYHBRZOMVLT-UHFFFAOYSA-N 1 0 295.335 1.142 20 10 CDCDRO Oc1ccccc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000288570457 369468470 /nfs/dbraw/zinc/46/84/70/369468470.db2.gz MYDKWFCEEPWVCU-CJNGLKHVSA-N 1 0 271.316 1.976 20 10 CDCDRO CCOc1cccc(CN(CCOC)CC[NH+](C)C)c1O ZINC000289179819 369528705 /nfs/dbraw/zinc/52/87/05/369528705.db2.gz AIIHUDPQMFQCTG-UHFFFAOYSA-N 1 0 296.411 1.801 20 10 CDCDRO C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+](C2CC2)C1 ZINC000295479724 371300106 /nfs/dbraw/zinc/30/01/06/371300106.db2.gz ZAAFYIMDERIYCV-NSHDSACASA-N 1 0 290.363 1.654 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191666321 373507535 /nfs/dbraw/zinc/50/75/35/373507535.db2.gz DQMNWLLWFDCUNU-UHFFFAOYSA-N 1 0 261.369 1.417 20 10 CDCDRO O=C1CO[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2N1 ZINC000366771118 374130849 /nfs/dbraw/zinc/13/08/49/374130849.db2.gz JYNINJNWHQCRDF-AAEUAGOBSA-N 1 0 296.754 1.135 20 10 CDCDRO Cc1cc(C[N@@H+](CCO)C[C@H](C)O)ccc1N(C)C ZINC000293652649 378593795 /nfs/dbraw/zinc/59/37/95/378593795.db2.gz SNFCJGUMEJNZAA-ZDUSSCGKSA-N 1 0 266.385 1.236 20 10 CDCDRO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1O ZINC000109773363 390648094 /nfs/dbraw/zinc/64/80/94/390648094.db2.gz JBVXMGVCTNQPAK-UHFFFAOYSA-N 1 0 293.367 1.448 20 10 CDCDRO C[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000139743899 390944327 /nfs/dbraw/zinc/94/43/27/390944327.db2.gz YWWUIBIVZKOVBV-UHFFFAOYSA-N 1 0 285.185 1.902 20 10 CDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000133051171 390900748 /nfs/dbraw/zinc/90/07/48/390900748.db2.gz DZLQLCXWUMNROF-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO CCN(CCS(C)(=O)=O)Cc1cc(C)ccc1O ZINC000093816195 390904824 /nfs/dbraw/zinc/90/48/24/390904824.db2.gz JWIDYYBBEQUYEG-UHFFFAOYSA-N 1 0 271.382 1.567 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)c(C)n1-c1ccccn1 ZINC000178766757 391191563 /nfs/dbraw/zinc/19/15/63/391191563.db2.gz HBNVWLLSDGRSMT-AWEZNQCLSA-N 1 0 298.390 1.971 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000179581603 391212556 /nfs/dbraw/zinc/21/25/56/391212556.db2.gz SNZFFHMTUZTVET-LBPRGKRZSA-N 1 0 264.325 1.241 20 10 CDCDRO Oc1ccccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179583195 391212869 /nfs/dbraw/zinc/21/28/69/391212869.db2.gz FABWQCLSFJWXRT-AWEZNQCLSA-N 1 0 276.380 1.546 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OC ZINC000194538973 391361161 /nfs/dbraw/zinc/36/11/61/391361161.db2.gz RATNEPNJTIXJID-BETUJISGSA-N 1 0 292.379 1.403 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296618231 392441297 /nfs/dbraw/zinc/44/12/97/392441297.db2.gz YZVASYJXAWVAGV-VXGBXAGGSA-N 1 0 251.326 1.367 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000662753542 413430612 /nfs/dbraw/zinc/43/06/12/413430612.db2.gz SUZXALYFQJBYAC-LBPRGKRZSA-N 1 0 277.368 1.476 20 10 CDCDRO CCN1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000038097915 174111942 /nfs/dbraw/zinc/11/19/42/174111942.db2.gz HWJANMJBGNLLKD-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1O ZINC000036932839 260157096 /nfs/dbraw/zinc/15/70/96/260157096.db2.gz VFNAWOLCRQTDRF-LBPRGKRZSA-N 1 0 250.342 1.203 20 10 CDCDRO C[NH+](C)C1(CNC(=O)c2cccc(O)c2O)CCCC1 ZINC000126519755 260352602 /nfs/dbraw/zinc/35/26/02/260352602.db2.gz RJZZLWWITRXWCZ-UHFFFAOYSA-N 1 0 278.352 1.702 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1O ZINC000155547626 261103617 /nfs/dbraw/zinc/10/36/17/261103617.db2.gz QICNMKDGPXWHID-CYBMUJFWSA-N 1 0 292.379 1.749 20 10 CDCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166473685 261390782 /nfs/dbraw/zinc/39/07/82/261390782.db2.gz BKSNKHGIOIRLJI-OAHLLOKOSA-N 1 0 275.396 1.669 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000037782217 276380495 /nfs/dbraw/zinc/38/04/95/276380495.db2.gz LVEUYSGDGCNBOX-GFCCVEGCSA-N 1 0 292.379 1.891 20 10 CDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000278748261 280062761 /nfs/dbraw/zinc/06/27/61/280062761.db2.gz WBSNWOJQPHYRLP-IAQYHMDHSA-N 1 0 282.359 1.521 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296703853 290346054 /nfs/dbraw/zinc/34/60/54/290346054.db2.gz HVTDIIQRMYDCMU-LLVKDONJSA-N 1 0 262.353 1.741 20 10 CDCDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000289561381 328255489 /nfs/dbraw/zinc/25/54/89/328255489.db2.gz LAHHIRWOCQLBMZ-ZFWWWQNUSA-N 1 0 276.380 1.985 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(OC)c1O ZINC000093899379 327146052 /nfs/dbraw/zinc/14/60/52/327146052.db2.gz SMFBWAWIONKSAX-JTQLQIEISA-N 1 0 266.341 1.215 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000377888443 329033352 /nfs/dbraw/zinc/03/33/52/329033352.db2.gz JTZKFWKLKYRPCM-JTQLQIEISA-N 1 0 264.325 1.111 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000231604509 329377376 /nfs/dbraw/zinc/37/73/76/329377376.db2.gz FBMXZDFXLFHRFA-AWEZNQCLSA-N 1 0 252.358 1.240 20 10 CDCDRO C[C@@H]([NH2+]CCn1cncn1)c1ccc(N(C)C)cc1 ZINC000268867171 334717702 /nfs/dbraw/zinc/71/77/02/334717702.db2.gz WUTMKMOTWRRFFX-GFCCVEGCSA-N 1 0 259.357 1.695 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC2(O)CC(OCC)C2)c1 ZINC000277633396 521151272 /nfs/dbraw/zinc/15/12/72/521151272.db2.gz CODKXXUBXTXWDQ-UHFFFAOYSA-N 1 0 295.379 1.811 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276664076 522095842 /nfs/dbraw/zinc/09/58/42/522095842.db2.gz YHYPLWXASLFTEP-VIFPVBQESA-N 1 0 282.315 1.403 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CC(=O)N2CCOCC2)cc1 ZINC000102675103 522170243 /nfs/dbraw/zinc/17/02/43/522170243.db2.gz RFCRUQNAPLBCGT-UHFFFAOYSA-N 1 0 291.395 1.043 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)CO)c1O ZINC000289393876 522535080 /nfs/dbraw/zinc/53/50/80/522535080.db2.gz FKIMJDQYKNHADL-MRVPVSSYSA-N 1 0 259.733 1.867 20 10 CDCDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000061375877 523607241 /nfs/dbraw/zinc/60/72/41/523607241.db2.gz SREQXLWGCSNNMX-ZDUSSCGKSA-N 1 0 266.385 1.929 20 10 CDCDRO COCC[N@H+](CCO)Cc1c(O)cccc1Cl ZINC000130892240 523706824 /nfs/dbraw/zinc/70/68/24/523706824.db2.gz HJZQJDBZDPZUCS-UHFFFAOYSA-N 1 0 259.733 1.486 20 10 CDCDRO CN(C)C(=O)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000163842478 524003145 /nfs/dbraw/zinc/00/31/45/524003145.db2.gz MWWSFRSBXNMKKN-UHFFFAOYSA-N 1 0 277.368 1.628 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CCCOCC2)cc1C ZINC000289452766 524070429 /nfs/dbraw/zinc/07/04/29/524070429.db2.gz NLCPQPRSZWEFDG-UHFFFAOYSA-N 1 0 278.396 1.816 20 10 CDCDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000263732610 524284041 /nfs/dbraw/zinc/28/40/41/524284041.db2.gz QBGRBMNOZPSEFF-ZDUSSCGKSA-N 1 0 275.396 1.711 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280445570 524749630 /nfs/dbraw/zinc/74/96/30/524749630.db2.gz KUVWJUQKLGBIJX-ZDUSSCGKSA-N 1 0 251.326 1.604 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000279671216 525100143 /nfs/dbraw/zinc/10/01/43/525100143.db2.gz HTPWWHMSTKFLPN-UHFFFAOYSA-N 1 0 281.377 1.288 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)NCCF ZINC000282783118 525526945 /nfs/dbraw/zinc/52/69/45/525526945.db2.gz VWDYHQPGZXDGIR-SNVBAGLBSA-N 1 0 285.338 1.456 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227981468 525600017 /nfs/dbraw/zinc/60/00/17/525600017.db2.gz BGLGKQJGVFRIIT-NHYWBVRUSA-N 1 0 263.337 1.251 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000368646313 527478330 /nfs/dbraw/zinc/47/83/30/527478330.db2.gz IWJGFTORGHIBAP-ZDUSSCGKSA-N 1 0 259.353 1.070 20 10 CDCDRO Cn1ncc(CCC[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000292973783 527569505 /nfs/dbraw/zinc/56/95/05/527569505.db2.gz MNSHTANDGDPMKP-UHFFFAOYSA-N 1 0 272.352 1.472 20 10 CDCDRO CCOc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC000772597531 575726792 /nfs/dbraw/zinc/72/67/92/575726792.db2.gz APJAKCRFNHQQPY-HNNXBMFYSA-N 1 0 294.395 1.553 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000773816560 575839237 /nfs/dbraw/zinc/83/92/37/575839237.db2.gz LADAOLJRPRZRFL-LSDHHAIUSA-N 1 0 264.369 1.070 20 10 CDCDRO OCC[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000764678241 575933592 /nfs/dbraw/zinc/93/35/92/575933592.db2.gz LJFXBEMGQZRIHQ-CQSZACIVSA-N 1 0 283.343 1.799 20 10 CDCDRO CCOCCN1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768243287 576266441 /nfs/dbraw/zinc/26/64/41/576266441.db2.gz JVHSJBQBHVSZBC-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCCOC1 ZINC000768453588 576285572 /nfs/dbraw/zinc/28/55/72/576285572.db2.gz ZCLPKCMGFKVOBJ-XHDPSFHLSA-N 1 0 293.363 1.676 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000768519562 576292270 /nfs/dbraw/zinc/29/22/70/576292270.db2.gz QXBRVPPHGBBUSX-VXGBXAGGSA-N 1 0 265.353 1.994 20 10 CDCDRO OC[C@H](CC1CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000754834802 576918017 /nfs/dbraw/zinc/91/80/17/576918017.db2.gz OJJFGKDYJLCDFG-INIZCTEOSA-N 1 0 290.407 1.774 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000749125908 576936259 /nfs/dbraw/zinc/93/62/59/576936259.db2.gz JHBZLXGLAPJJKU-LBPRGKRZSA-N 1 0 293.436 1.593 20 10 CDCDRO CSCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891257241 617391789 /nfs/dbraw/zinc/39/17/89/617391789.db2.gz GDGSBWRYWVLBBH-CQSZACIVSA-N 1 0 295.452 1.835 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000892039403 617434662 /nfs/dbraw/zinc/43/46/62/617434662.db2.gz STFDZUKIUUDWDK-ZBFHGGJFSA-N 1 0 288.395 1.395 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1O ZINC000892050944 617444145 /nfs/dbraw/zinc/44/41/45/617444145.db2.gz JJYBGULMPUHNDP-BXKDBHETSA-N 1 0 263.341 1.490 20 10 CDCDRO C[C@@H](CCCC[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892133288 617498796 /nfs/dbraw/zinc/49/87/96/617498796.db2.gz ACZBOVLQMDSZBJ-NSHDSACASA-N 1 0 277.368 1.935 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1O ZINC000892167788 617522327 /nfs/dbraw/zinc/52/23/27/617522327.db2.gz GSYFRGCJEWRRAI-VXGBXAGGSA-N 1 0 293.367 1.131 20 10 CDCDRO COc1ccc(CN2CCC([NH+](C)C)CC2)c(O)c1OC ZINC000891666777 617528986 /nfs/dbraw/zinc/52/89/86/617528986.db2.gz XKKONBOCTXUPSC-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000892208373 617552082 /nfs/dbraw/zinc/55/20/82/617552082.db2.gz ZILFPPQLARRAJR-SNVBAGLBSA-N 1 0 296.367 1.223 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000892305800 617729800 /nfs/dbraw/zinc/72/98/00/617729800.db2.gz MCOXDUPHQQCBDF-JFGNBEQYSA-N 1 0 263.341 1.503 20 10 CDCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000892792205 617753491 /nfs/dbraw/zinc/75/34/91/617753491.db2.gz RJGAULLTXAKTLR-JQWIXIFHSA-N 1 0 269.366 1.305 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893078689 618130555 /nfs/dbraw/zinc/13/05/55/618130555.db2.gz FICSWXMDLVRVMS-NSHDSACASA-N 1 0 299.367 1.551 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933531 618140865 /nfs/dbraw/zinc/14/08/65/618140865.db2.gz GMKYGMOUYYORBK-OAHLLOKOSA-N 1 0 266.385 1.548 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cnnn1C ZINC000924861079 618393620 /nfs/dbraw/zinc/39/36/20/618393620.db2.gz HJFFUMMXXCGCKU-SNVBAGLBSA-N 1 0 277.347 1.871 20 10 CDCDRO COc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c(O)c1OC ZINC000894148752 618628970 /nfs/dbraw/zinc/62/89/70/618628970.db2.gz LVERZABNVZRZIK-GFCCVEGCSA-N 1 0 293.363 1.878 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000843057544 618691333 /nfs/dbraw/zinc/69/13/33/618691333.db2.gz JOQXPUUAZIXDEN-IUODEOHRSA-N 1 0 264.369 1.557 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894213394 618729401 /nfs/dbraw/zinc/72/94/01/618729401.db2.gz BLEOGGKBNFYAPZ-UHFFFAOYSA-N 1 0 282.384 1.377 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCNC(=O)C(C)C)c1O ZINC000894360822 618820179 /nfs/dbraw/zinc/82/01/79/618820179.db2.gz AUEMBNPOOPSYJR-UHFFFAOYSA-N 1 0 294.395 1.961 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)C2CC2)c1O ZINC000894766832 619051861 /nfs/dbraw/zinc/05/18/61/619051861.db2.gz VCXOFQCLMVGFLT-GFCCVEGCSA-N 1 0 251.326 1.570 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000894967740 619166044 /nfs/dbraw/zinc/16/60/44/619166044.db2.gz QUDUTHMVHXXJFP-OAHLLOKOSA-N 1 0 278.352 1.468 20 10 CDCDRO CCCOc1ccc(C[NH2+]CC(=O)N(C)OC)cc1C ZINC000895046617 619217857 /nfs/dbraw/zinc/21/78/57/619217857.db2.gz QFDAVGNFHYHJOH-UHFFFAOYSA-N 1 0 280.368 1.893 20 10 CDCDRO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1O ZINC000895131340 619330061 /nfs/dbraw/zinc/33/00/61/619330061.db2.gz WZUCLEUFFLUDHW-LLVKDONJSA-N 1 0 273.336 1.970 20 10 CDCDRO OC[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000895151907 619363323 /nfs/dbraw/zinc/36/33/23/619363323.db2.gz MYKDKZNAELBUMH-LBPRGKRZSA-N 1 0 279.336 1.858 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000895389195 619628353 /nfs/dbraw/zinc/62/83/53/619628353.db2.gz NTXHJPNFPOBFLM-CYBMUJFWSA-N 1 0 292.379 1.762 20 10 CDCDRO O=C1NCCN1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000895814557 619858346 /nfs/dbraw/zinc/85/83/46/619858346.db2.gz PAXAWRKWSXDCHB-UHFFFAOYSA-N 1 0 287.722 1.300 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896383839 620080242 /nfs/dbraw/zinc/08/02/42/620080242.db2.gz FNKCPQDKMWISRB-ZDUSSCGKSA-N 1 0 293.363 1.986 20 10 CDCDRO CC[C@@H]1C(=O)NCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000898545067 621787622 /nfs/dbraw/zinc/78/76/22/621787622.db2.gz HKMRMPGXWJCXJC-CQSZACIVSA-N 1 0 293.386 1.992 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccc(O)c(O)c1)C1CCC1 ZINC000901131345 623891072 /nfs/dbraw/zinc/89/10/72/623891072.db2.gz IZDDUUNDTAQTHG-UHFFFAOYSA-N 1 0 264.325 1.198 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1 ZINC000902525731 624926781 /nfs/dbraw/zinc/92/67/81/624926781.db2.gz YYWCZDIUUGKCHR-LBPRGKRZSA-N 1 0 298.408 1.119 20 10 CDCDRO Nc1ccc(NCc2ccc(N3CC[NH2+]CC3)o2)cc1 ZINC000904353576 626262759 /nfs/dbraw/zinc/26/27/59/626262759.db2.gz NTABZYRVRHVHSI-UHFFFAOYSA-N 1 0 272.352 1.884 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000044685551 630554083 /nfs/dbraw/zinc/55/40/83/630554083.db2.gz GZEXWFYPJJPVME-LBPRGKRZSA-N 1 0 262.353 1.727 20 10 CDCDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000045072216 630571416 /nfs/dbraw/zinc/57/14/16/630571416.db2.gz HCWDGGRHCVORKD-LLVKDONJSA-N 1 0 250.342 1.959 20 10 CDCDRO CC[S@@](=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921720575 633239227 /nfs/dbraw/zinc/23/92/27/633239227.db2.gz BGOODFJZBDTNOI-GOSISDBHSA-N 1 0 267.394 1.870 20 10 CDCDRO Nc1[nH]c2ccc(NCC(=O)c3ccc(O)c(O)c3)cc2[nH+]1 ZINC001170322648 1162337092 /nfs/dbraw/zinc/33/70/92/1162337092.db2.gz KHORURVIOKZWQT-UHFFFAOYSA-N 1 0 298.302 1.851 20 10 CDCDRO C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140057705 1158540260 /nfs/dbraw/zinc/54/02/60/1158540260.db2.gz KTUYEFSPYVHERQ-UONOGXRCSA-N 1 0 269.316 1.097 20 10 CDCDRO [NH3+]C1(CNC(=O)Cc2ccc(O)c(O)c2)CCCC1 ZINC001580147653 1172362319 /nfs/dbraw/zinc/36/23/19/1172362319.db2.gz WBGBOIISESEKLM-UHFFFAOYSA-N 1 0 264.325 1.028 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H]2CN(C)C)c(O)c1 ZINC000133866153 1175809597 /nfs/dbraw/zinc/80/95/97/1175809597.db2.gz XNRDTDYSSSHLCF-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000155011905 1178153946 /nfs/dbraw/zinc/15/39/46/1178153946.db2.gz XUDVMCGORBPTOS-LLVKDONJSA-N 1 0 264.325 1.098 20 10 CDCDRO CC[C@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398714 726842788 /nfs/dbraw/zinc/84/27/88/726842788.db2.gz ACHMTZXNEYYKSE-AWEZNQCLSA-N 1 0 266.385 1.834 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)NCCCSc1nccs1 ZINC000841856705 726984760 /nfs/dbraw/zinc/98/47/60/726984760.db2.gz KFWKAUZPPDJNBD-VIFPVBQESA-N 1 0 288.442 1.662 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2c(C)cccc2O)CC1=O ZINC000877613961 727300095 /nfs/dbraw/zinc/30/00/95/727300095.db2.gz STZUYWKQLQQCFE-LBPRGKRZSA-N 1 0 262.353 1.659 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921596655 726017472 /nfs/dbraw/zinc/01/74/72/726017472.db2.gz ZVQKGQHLVJDAIK-UHFFFAOYSA-N 1 0 276.380 1.970 20 10 CDCDRO CC(C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662560 726017582 /nfs/dbraw/zinc/01/75/82/726017582.db2.gz BVYRNMVFPFPNBZ-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO c1cc2c(cc1C[NH2+]CCN1CCOCC1)CCCO2 ZINC000312179467 726021905 /nfs/dbraw/zinc/02/19/05/726021905.db2.gz SQANJNFTQLDLOA-UHFFFAOYSA-N 1 0 276.380 1.433 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)c(C)c1 ZINC000815120348 726066881 /nfs/dbraw/zinc/06/68/81/726066881.db2.gz HDNQMMKNQWLMPK-UHFFFAOYSA-N 1 0 263.385 1.758 20 10 CDCDRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1O ZINC000827937159 726079840 /nfs/dbraw/zinc/07/98/40/726079840.db2.gz MPTHVINMRFLBCO-LLVKDONJSA-N 1 0 262.353 1.911 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000848875620 726081977 /nfs/dbraw/zinc/08/19/77/726081977.db2.gz BVUJAWWOPJSPCS-ZDUSSCGKSA-N 1 0 262.353 1.652 20 10 CDCDRO CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(N)cc1 ZINC000877077436 726134481 /nfs/dbraw/zinc/13/44/81/726134481.db2.gz ICVMPXXQPDLGHD-ZDUSSCGKSA-N 1 0 259.353 1.621 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@H](O)C2)cc1F ZINC000858196216 726146128 /nfs/dbraw/zinc/14/61/28/726146128.db2.gz KCPLHYMDRRUDEK-MGCOHNPYSA-N 1 0 256.296 1.644 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1=O ZINC000834890731 726157512 /nfs/dbraw/zinc/15/75/12/726157512.db2.gz PBBCAAICPHGWJP-WPRPVWTQSA-N 1 0 284.306 1.942 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccco2)cc1 ZINC000832285215 726168259 /nfs/dbraw/zinc/16/82/59/726168259.db2.gz PSTMSHKCDAEMOO-ZDUSSCGKSA-N 1 0 273.336 1.775 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816601116 726176701 /nfs/dbraw/zinc/17/67/01/726176701.db2.gz SAMWOJIXXFOVOQ-CYBMUJFWSA-N 1 0 261.321 1.642 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000877313050 726181415 /nfs/dbraw/zinc/18/14/15/726181415.db2.gz PQOPTYLVWYAEGL-UHFFFAOYSA-N 1 0 276.336 1.775 20 10 CDCDRO CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817935607 726194257 /nfs/dbraw/zinc/19/42/57/726194257.db2.gz KARMZMTVZNHZAU-OAHLLOKOSA-N 1 0 295.402 1.867 20 10 CDCDRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(O)c1O ZINC000837187237 726200314 /nfs/dbraw/zinc/20/03/14/726200314.db2.gz YDIZLTWMDLNXSR-GFCCVEGCSA-N 1 0 292.379 1.961 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CC)[C@@H]2CCNC2=O)cc1 ZINC000815107612 726206823 /nfs/dbraw/zinc/20/68/23/726206823.db2.gz MBJKLSGDTOMIEI-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922110620 726256288 /nfs/dbraw/zinc/25/62/88/726256288.db2.gz PZJKCDUNPMIYNA-CYBMUJFWSA-N 1 0 251.326 1.109 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C[C@@H](O)C2CC2)c1O ZINC000809752939 726258171 /nfs/dbraw/zinc/25/81/71/726258171.db2.gz XVQYSUFJFJSCTL-CYBMUJFWSA-N 1 0 265.353 1.994 20 10 CDCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000775995355 726271823 /nfs/dbraw/zinc/27/18/23/726271823.db2.gz NVYDILAIEODKFM-DLBZAZTESA-N 1 0 299.370 1.987 20 10 CDCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000096478678 726283312 /nfs/dbraw/zinc/28/33/12/726283312.db2.gz UXHUHXGESJJZBR-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO Cc1ccc(C[NH2+]CC(=O)NC2CCCC2)c(O)c1 ZINC000877010213 726290604 /nfs/dbraw/zinc/29/06/04/726290604.db2.gz PWIXFSKMAGHDSM-UHFFFAOYSA-N 1 0 262.353 1.849 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846143475 726310204 /nfs/dbraw/zinc/31/02/04/726310204.db2.gz GABHCFYRJQOMBO-QMTHXVAHSA-N 1 0 269.341 1.449 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1OC ZINC000250054349 726378720 /nfs/dbraw/zinc/37/87/20/726378720.db2.gz MHJGXWXKKDRSNZ-ZYHUDNBSSA-N 1 0 281.352 1.612 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418982 726827523 /nfs/dbraw/zinc/82/75/23/726827523.db2.gz NHULMPAIKBGWKQ-NSHDSACASA-N 1 0 277.303 1.013 20 10 CDCDRO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045713 726866684 /nfs/dbraw/zinc/86/66/84/726866684.db2.gz OTJMIFVVWQPSAE-CQDKDKBSSA-N 1 0 263.385 1.519 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000828666898 726881620 /nfs/dbraw/zinc/88/16/20/726881620.db2.gz JWJAGARYYDKTMU-MNOVXSKESA-N 1 0 278.352 1.578 20 10 CDCDRO CCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)COC1 ZINC000832267286 726888116 /nfs/dbraw/zinc/88/81/16/726888116.db2.gz POBKETQPVAQJCM-CQSZACIVSA-N 1 0 291.395 1.295 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[NH2+]CC ZINC000843413294 726891087 /nfs/dbraw/zinc/89/10/87/726891087.db2.gz NTDBIUUKOLGBPW-UHFFFAOYSA-N 1 0 250.342 1.740 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c(O)c1 ZINC000876812276 726903969 /nfs/dbraw/zinc/90/39/69/726903969.db2.gz KNFYWYMMECUVLF-YPMHNXCESA-N 1 0 251.326 1.282 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC[C@H](O)C1)OCO2 ZINC000230667417 726907639 /nfs/dbraw/zinc/90/76/39/726907639.db2.gz ATGKNDLAMUYFSB-JQWIXIFHSA-N 1 0 279.336 1.762 20 10 CDCDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000876911134 726911944 /nfs/dbraw/zinc/91/19/44/726911944.db2.gz VYJCYIQQKSKLCS-LAPROLRISA-N 1 0 290.363 1.429 20 10 CDCDRO CNC(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876769054 726913774 /nfs/dbraw/zinc/91/37/74/726913774.db2.gz QTRJPMQRJTWASQ-UHFFFAOYSA-N 1 0 263.341 1.158 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)c(O)c1 ZINC000846683444 726967208 /nfs/dbraw/zinc/96/72/08/726967208.db2.gz ZOOPNISINIKFQM-LLVKDONJSA-N 1 0 278.352 1.407 20 10 CDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC000848566632 726986171 /nfs/dbraw/zinc/98/61/71/726986171.db2.gz CTCFNWJVIKKIDG-LLVKDONJSA-N 1 0 258.325 1.168 20 10 CDCDRO OC1CCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922167245 727003626 /nfs/dbraw/zinc/00/36/26/727003626.db2.gz YXXDRKCNSXGYHE-UHFFFAOYSA-N 1 0 290.407 1.558 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000876768491 727005556 /nfs/dbraw/zinc/00/55/56/727005556.db2.gz WIDYZQYBANPBSQ-OAHLLOKOSA-N 1 0 290.407 1.855 20 10 CDCDRO C[C@H]([NH2+]CCN1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000808748537 727030881 /nfs/dbraw/zinc/03/08/81/727030881.db2.gz RNTOZIXYZMJIQP-LBPRGKRZSA-N 1 0 276.384 1.428 20 10 CDCDRO CC[C@H](C(N)=O)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399443 727034006 /nfs/dbraw/zinc/03/40/06/727034006.db2.gz JLTLICNGNDVEDU-CQSZACIVSA-N 1 0 279.384 1.327 20 10 CDCDRO CC[NH2+]CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818613674 727065702 /nfs/dbraw/zinc/06/57/02/727065702.db2.gz XEWYKFAAVUFTPJ-ZDUSSCGKSA-N 1 0 291.395 1.247 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CNCCO1)c1ccccc1O ZINC000817982541 727069818 /nfs/dbraw/zinc/06/98/18/727069818.db2.gz DZMQYRSDBGJOEE-YPMHNXCESA-N 1 0 250.342 1.421 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000856073272 727147001 /nfs/dbraw/zinc/14/70/01/727147001.db2.gz MSRMOGKMQSAQTB-BPJJOFIESA-N 1 0 290.363 1.712 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000877021163 727258630 /nfs/dbraw/zinc/25/86/30/727258630.db2.gz RFCRATBVPYVMET-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ncn1 ZINC000846663721 727277519 /nfs/dbraw/zinc/27/75/19/727277519.db2.gz MSGQUSOSQVCRJW-CQSZACIVSA-N 1 0 299.378 1.281 20 10 CDCDRO O=C1C[N@H+](Cc2ccc3ccccc3c2O)CCCN1 ZINC000816496628 727298148 /nfs/dbraw/zinc/29/81/48/727298148.db2.gz QBNINSMKECDNLZ-UHFFFAOYSA-N 1 0 270.332 1.867 20 10 CDCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)O1 ZINC000398126559 727307728 /nfs/dbraw/zinc/30/77/28/727307728.db2.gz TXKDBNJUUWZHEQ-MWLCHTKSSA-N 1 0 265.309 1.778 20 10 CDCDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000779389505 727317671 /nfs/dbraw/zinc/31/76/71/727317671.db2.gz BJSFFICVIYAJFN-GFCCVEGCSA-N 1 0 296.386 1.647 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000071122529 727326564 /nfs/dbraw/zinc/32/65/64/727326564.db2.gz VYOWQNCPPSRAGP-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c(O)c1 ZINC000877100211 727333358 /nfs/dbraw/zinc/33/33/58/727333358.db2.gz QSVPCJHKSQZWOC-IUODEOHRSA-N 1 0 264.369 1.509 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CN3CCC[C@H]3CO1)CC2 ZINC000386753993 727343573 /nfs/dbraw/zinc/34/35/73/727343573.db2.gz FAAGUCOJEFLZBH-RRFJBIMHSA-N 1 0 288.391 1.832 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000123550006 727351098 /nfs/dbraw/zinc/35/10/98/727351098.db2.gz BYJAHZAARQAMIN-MRXNPFEDSA-N 1 0 293.363 1.679 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1 ZINC000827368169 727351933 /nfs/dbraw/zinc/35/19/33/727351933.db2.gz KQDBVQQCMGQQQA-OAHLLOKOSA-N 1 0 264.369 1.600 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000866497836 727351960 /nfs/dbraw/zinc/35/19/60/727351960.db2.gz MKQGVNRKFGCYNT-ARFHVFGLSA-N 1 0 278.396 1.943 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)N(C)OC)c1O ZINC000858320656 727352419 /nfs/dbraw/zinc/35/24/19/727352419.db2.gz YFJJVPQMOQUUAS-JTQLQIEISA-N 1 0 282.340 1.289 20 10 CDCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC000846209716 727369132 /nfs/dbraw/zinc/36/91/32/727369132.db2.gz SMKXFTCBTJBBKZ-NWDGAFQWSA-N 1 0 262.353 1.911 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)c2c1c(F)ccc2O ZINC000886745233 727380252 /nfs/dbraw/zinc/38/02/52/727380252.db2.gz RKEXEXHEVXRKAO-ONGXEEELSA-N 1 0 293.342 1.694 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C(=O)NC ZINC000840952462 727382004 /nfs/dbraw/zinc/38/20/04/727382004.db2.gz AETBVLIHTRCLES-AWEZNQCLSA-N 1 0 263.385 1.675 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1O ZINC000824707939 727390666 /nfs/dbraw/zinc/39/06/66/727390666.db2.gz BSVDOEPSPAEGPS-SMDDNHRTSA-N 1 0 281.352 1.542 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)cc1C ZINC000872786299 727412542 /nfs/dbraw/zinc/41/25/42/727412542.db2.gz XZNREFAKAJILTF-BETUJISGSA-N 1 0 263.337 1.787 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1C ZINC000037282813 727433194 /nfs/dbraw/zinc/43/31/94/727433194.db2.gz WTGWLBOGOSCAEG-ZDUSSCGKSA-N 1 0 262.353 1.762 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](C(=O)OC)C2)c1O ZINC000827812229 727436489 /nfs/dbraw/zinc/43/64/89/727436489.db2.gz GMCFUPBGJNKMSK-HAQNSBGRSA-N 1 0 279.336 1.832 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1F ZINC000846674295 727445098 /nfs/dbraw/zinc/44/50/98/727445098.db2.gz WEYXNPYUZYLJKP-ZDUSSCGKSA-N 1 0 293.386 1.898 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000824903745 727451854 /nfs/dbraw/zinc/45/18/54/727451854.db2.gz CCFVRNMVYIWWMS-UHFFFAOYSA-N 1 0 262.353 1.659 20 10 CDCDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1c(F)ccc(O)c1O ZINC000857270066 727465331 /nfs/dbraw/zinc/46/53/31/727465331.db2.gz NCEOOURYDHOLEM-WPRPVWTQSA-N 1 0 282.315 1.402 20 10 CDCDRO C[NH2+]CCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882339 727467148 /nfs/dbraw/zinc/46/71/48/727467148.db2.gz JLZPSCMQALUTDG-LBPRGKRZSA-N 1 0 278.400 1.674 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1O ZINC000925430918 727471073 /nfs/dbraw/zinc/47/10/73/727471073.db2.gz ZTRGZWZPZNVVJX-GHMZBOCLSA-N 1 0 263.341 1.457 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817410293 727823544 /nfs/dbraw/zinc/82/35/44/727823544.db2.gz ADZVIMBABRNDHJ-UHFFFAOYSA-N 1 0 264.325 1.146 20 10 CDCDRO COc1cc(N(C)CCC[NH3+])cc(OC)c1OC ZINC000020239955 727824837 /nfs/dbraw/zinc/82/48/37/727824837.db2.gz RMTLZDAXKXWVDR-UHFFFAOYSA-N 1 0 254.330 1.497 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H]3CCC(=O)O3)CC2)cc1 ZINC000821387233 727828602 /nfs/dbraw/zinc/82/86/02/727828602.db2.gz RLHZDCPHFMPALU-HNNXBMFYSA-N 1 0 290.363 1.523 20 10 CDCDRO CNC(=O)CCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846141717 727830041 /nfs/dbraw/zinc/83/00/41/727830041.db2.gz MXZCCDWRERCYOM-JTQLQIEISA-N 1 0 266.341 1.578 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000230393153 727868949 /nfs/dbraw/zinc/86/89/49/727868949.db2.gz AAFMKQWYHWJZPY-NSHDSACASA-N 1 0 251.326 1.917 20 10 CDCDRO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000790937142 727896948 /nfs/dbraw/zinc/89/69/48/727896948.db2.gz KBGNFZMXZUMSKO-MRXNPFEDSA-N 1 0 290.407 1.726 20 10 CDCDRO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(F)ccc1O ZINC000840882152 727935989 /nfs/dbraw/zinc/93/59/89/727935989.db2.gz GJSROWDZTJVHOO-VIFPVBQESA-N 1 0 287.356 1.759 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2COC[C@@H]2O)ccc1OC ZINC000865666844 727945260 /nfs/dbraw/zinc/94/52/60/727945260.db2.gz PBZPWTKPFBTZDS-KGLIPLIRSA-N 1 0 281.352 1.081 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000843045913 727961521 /nfs/dbraw/zinc/96/15/21/727961521.db2.gz LSURCZVODUNGJM-PWSUYJOCSA-N 1 0 278.352 1.823 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825278896 728000037 /nfs/dbraw/zinc/00/00/37/728000037.db2.gz KTIZJJSADZDOMF-AWEZNQCLSA-N 1 0 291.395 1.936 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000079927448 728027660 /nfs/dbraw/zinc/02/76/60/728027660.db2.gz DFIDABGVKULCFD-YPMHNXCESA-N 1 0 261.369 1.682 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCNC(=O)C(C)C)c1O ZINC000846136486 728029817 /nfs/dbraw/zinc/02/98/17/728029817.db2.gz IWDCEHXIZDQYMT-LLVKDONJSA-N 1 0 280.368 1.824 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CC[S@](C)=O ZINC000877088228 728034927 /nfs/dbraw/zinc/03/49/27/728034927.db2.gz DHOGUKDYUIPSMZ-GTNSWQLSSA-N 1 0 255.383 1.947 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530451 728035935 /nfs/dbraw/zinc/03/59/35/728035935.db2.gz KUQKAPHEMDSXQT-UWVGGRQHSA-N 1 0 257.305 1.579 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000817412330 728076288 /nfs/dbraw/zinc/07/62/88/728076288.db2.gz IVTSJGNFRZOJHG-RYUDHWBXSA-N 1 0 265.353 1.851 20 10 CDCDRO COCCN(C[C@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000843359234 728086189 /nfs/dbraw/zinc/08/61/89/728086189.db2.gz OAMCIECGSDZSSC-ZDUSSCGKSA-N 1 0 294.395 1.766 20 10 CDCDRO COc1ccc(N(C)CCOCC[NH3+])cc1Cl ZINC000843359411 728094418 /nfs/dbraw/zinc/09/44/18/728094418.db2.gz TYKZUOFMYYRZNC-UHFFFAOYSA-N 1 0 258.749 1.760 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(CO)(CO)CC2)c1 ZINC000877797089 728101459 /nfs/dbraw/zinc/10/14/59/728101459.db2.gz APPGPKFXPCIUNC-UHFFFAOYSA-N 1 0 295.379 1.358 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000840921489 728191580 /nfs/dbraw/zinc/19/15/80/728191580.db2.gz TYUKZIJDFNYRGR-CYBMUJFWSA-N 1 0 276.384 1.304 20 10 CDCDRO Cc1ccc(O)c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000132605594 728198185 /nfs/dbraw/zinc/19/81/85/728198185.db2.gz DHMACDULHZNZAU-RISCZKNCSA-N 1 0 250.342 1.249 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c(O)c1 ZINC000877368395 728229934 /nfs/dbraw/zinc/22/99/34/728229934.db2.gz HUXQQDRXSXVSSJ-MRXNPFEDSA-N 1 0 295.379 1.883 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c1O ZINC000228356339 728274571 /nfs/dbraw/zinc/27/45/71/728274571.db2.gz VDCHGXIYMQENDN-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccccc1O ZINC000706722343 728365421 /nfs/dbraw/zinc/36/54/21/728365421.db2.gz IVTVOBCKNLZANU-OUCADQQQSA-N 1 0 251.326 1.583 20 10 CDCDRO CN(C)c1ccc(CNCC2([NH3+])CCC2)cc1F ZINC000841050456 728371441 /nfs/dbraw/zinc/37/14/41/728371441.db2.gz FTMQJYCVMYZCAK-UHFFFAOYSA-N 1 0 251.349 1.863 20 10 CDCDRO Cc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c(O)c1 ZINC000877560065 1166058311 /nfs/dbraw/zinc/05/83/11/1166058311.db2.gz FRMQVONCRFUDMU-UHFFFAOYSA-N 1 0 258.325 1.986 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1Cl ZINC000826064665 1166231647 /nfs/dbraw/zinc/23/16/47/1166231647.db2.gz MUUBBZZZVMBAOJ-AOOOYVTPSA-N 1 0 294.738 1.058 20 10 CDCDRO CCN1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001173352663 912450331 /nfs/dbraw/zinc/45/03/31/912450331.db2.gz TXUAJRZBEFPGRI-LBPRGKRZSA-N 1 0 250.342 1.324 20 10 CDCDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001272385750 912985650 /nfs/dbraw/zinc/98/56/50/912985650.db2.gz DOGXQGYWRIHABD-ZDUSSCGKSA-N 1 0 290.363 1.446 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC001140178769 895202780 /nfs/dbraw/zinc/20/27/80/895202780.db2.gz XEDMFYYOASJXTD-CQSZACIVSA-N 1 0 253.317 1.915 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)c1 ZINC001272636569 914239406 /nfs/dbraw/zinc/23/94/06/914239406.db2.gz GRVKSCJGJFMDFB-INIZCTEOSA-N 1 0 290.363 1.598 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000312895729 900277319 /nfs/dbraw/zinc/27/73/19/900277319.db2.gz NNKZBILOTYYDSS-UHFFFAOYSA-N 1 0 266.341 1.405 20 10 CDCDRO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cccc(O)c1O ZINC000710414291 903242183 /nfs/dbraw/zinc/24/21/83/903242183.db2.gz PVOFQRVMUBXWKG-JTQLQIEISA-N 1 0 264.325 1.312 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001269607769 903975594 /nfs/dbraw/zinc/97/55/94/903975594.db2.gz JQJMOTUZRZAMSZ-QWRGUYRKSA-N 1 0 262.309 1.016 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CN(C)CCN1C ZINC000840934884 906718558 /nfs/dbraw/zinc/71/85/58/906718558.db2.gz ZHFPQVPETSZZON-KRWDZBQOSA-N 1 0 290.455 1.396 20 10 CDCDRO CO[C@@H]1CC[N@H+](CCOc2ccc(N(C)C)cc2)C1 ZINC001227939509 906782816 /nfs/dbraw/zinc/78/28/16/906782816.db2.gz XPPHFTQEBXIYNL-OAHLLOKOSA-N 1 0 264.369 1.852 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC000093612239 908268701 /nfs/dbraw/zinc/26/87/01/908268701.db2.gz LMWYGVBGRSCZSY-LBPRGKRZSA-N 1 0 291.269 1.900 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NCCC[NH3+])cc1F ZINC000841799336 908334191 /nfs/dbraw/zinc/33/41/91/908334191.db2.gz SMPQJDAQRIAXEJ-UHFFFAOYSA-N 1 0 296.390 1.820 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2ccc(O)c(O)c2)CC[C@H]1F ZINC001206152806 911053882 /nfs/dbraw/zinc/05/38/82/911053882.db2.gz AZPJQEICVYISHW-MNOVXSKESA-N 1 0 254.305 1.359 20 10 CDCDRO CCO[C@@H]1C[C@H]2CN(Cc3c(O)cccc3F)CC[N@@H+]2C1 ZINC001137836102 936419365 /nfs/dbraw/zinc/41/93/65/936419365.db2.gz VOPZLNKUNVYJFT-QWHCGFSZSA-N 1 0 294.370 1.826 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(F)cc(C)c2O)C[C@@H]1OC ZINC001238055743 917776722 /nfs/dbraw/zinc/77/67/22/917776722.db2.gz CZTJLLRJALFEQT-BETUJISGSA-N 1 0 269.316 1.685 20 10 CDCDRO O=C1C[C@@H]2CC([NH2+]Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001254938255 936470380 /nfs/dbraw/zinc/47/03/80/936470380.db2.gz YQAMGJZHZQFVNM-QWRGUYRKSA-N 1 0 261.321 1.945 20 10 CDCDRO COc1cc(CN2CCC[C@](C)([NH3+])CC2)cc(O)c1O ZINC001205263818 918432006 /nfs/dbraw/zinc/43/20/06/918432006.db2.gz CNLIQVOZYVEKAL-HNNXBMFYSA-N 1 0 280.368 1.810 20 10 CDCDRO C[NH+](C)CCCCC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001184061283 918856013 /nfs/dbraw/zinc/85/60/13/918856013.db2.gz HWVDQYIIIBYCFZ-UHFFFAOYSA-N 1 0 294.351 1.129 20 10 CDCDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499454 936543237 /nfs/dbraw/zinc/54/32/37/936543237.db2.gz KTGJSIDBLKPPRW-INIZCTEOSA-N 1 0 288.391 1.934 20 10 CDCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000831944232 936548407 /nfs/dbraw/zinc/54/84/07/936548407.db2.gz RDKWQSLBIZKMPG-JTQLQIEISA-N 1 0 296.342 1.841 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000827812141 936607829 /nfs/dbraw/zinc/60/78/29/936607829.db2.gz DDVQIKIBDCUOPO-JOCQHMNTSA-N 1 0 262.353 1.794 20 10 CDCDRO Oc1ccc(F)cc1CN1CC(N2CC(F)C2)C1 ZINC001140058213 936674807 /nfs/dbraw/zinc/67/48/07/936674807.db2.gz UZOSJJQDVJEEEO-UHFFFAOYSA-N 1 0 254.280 1.369 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000834299388 936682267 /nfs/dbraw/zinc/68/22/67/936682267.db2.gz QCBVXFQRBVSKDC-UHFFFAOYSA-N 1 0 291.395 1.168 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001140178489 936684253 /nfs/dbraw/zinc/68/42/53/936684253.db2.gz MPLFYRMGTWDULQ-GDBMZVCRSA-N 1 0 279.380 1.574 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c1O ZINC001140178491 936684330 /nfs/dbraw/zinc/68/43/30/936684330.db2.gz MPLFYRMGTWDULQ-HOCLYGCPSA-N 1 0 279.380 1.574 20 10 CDCDRO COC(=O)N1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140178819 936684382 /nfs/dbraw/zinc/68/43/82/936684382.db2.gz YLPFENYQHFDOJH-UHFFFAOYSA-N 1 0 278.352 1.893 20 10 CDCDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001140466200 936712515 /nfs/dbraw/zinc/71/25/15/936712515.db2.gz AWRCEBPGIBSFSH-AWEZNQCLSA-N 1 0 296.798 1.952 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001140464606 936712582 /nfs/dbraw/zinc/71/25/82/936712582.db2.gz WUKNQNFFMPYCEK-ZDUSSCGKSA-N 1 0 299.754 1.810 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1 ZINC000835060875 936715569 /nfs/dbraw/zinc/71/55/69/936715569.db2.gz OQUJCOOMKJXQFR-HNNXBMFYSA-N 1 0 278.352 1.549 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1 ZINC001140619915 936731497 /nfs/dbraw/zinc/73/14/97/936731497.db2.gz UZDYHWZICKUQMT-LSDHHAIUSA-N 1 0 265.353 1.266 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3cncnc3)CC2)c1 ZINC001140623776 936732028 /nfs/dbraw/zinc/73/20/28/936732028.db2.gz RAUDXXQVCLPRDF-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCc3cnn(C)c3C2)c1 ZINC001140622835 936732035 /nfs/dbraw/zinc/73/20/35/936732035.db2.gz BFOBVIYJPYSHCS-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC001140623182 936732247 /nfs/dbraw/zinc/73/22/47/936732247.db2.gz IVXRGOSIRMPBFH-GFCCVEGCSA-N 1 0 262.353 1.753 20 10 CDCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140662125 936736751 /nfs/dbraw/zinc/73/67/51/936736751.db2.gz GLEJONJWVHZHCW-CQSZACIVSA-N 1 0 280.343 1.229 20 10 CDCDRO Cc1c(O)ccc(C[N@H+](C)CCN2CCOCC2)c1O ZINC001140742396 936748350 /nfs/dbraw/zinc/74/83/50/936748350.db2.gz MPYHSVMZVIBKFI-UHFFFAOYSA-N 1 0 280.368 1.170 20 10 CDCDRO Cc1c(O)ccc(CN2CCOC[C@@H]2C[NH+](C)C)c1O ZINC001140747992 936749797 /nfs/dbraw/zinc/74/97/97/936749797.db2.gz QHFSMFKLIMJNDN-ZDUSSCGKSA-N 1 0 280.368 1.169 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001140954297 936783617 /nfs/dbraw/zinc/78/36/17/936783617.db2.gz OYDWSWRCZDCKPZ-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCOC2)c(OC)c1 ZINC001141028230 936794031 /nfs/dbraw/zinc/79/40/31/936794031.db2.gz GRHQECMWUPAMHG-JTQLQIEISA-N 1 0 267.325 1.630 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC001141026752 936794179 /nfs/dbraw/zinc/79/41/79/936794179.db2.gz BHQJNXHLBUEVQI-GFCCVEGCSA-N 1 0 292.379 1.689 20 10 CDCDRO N=C(NC(=O)c1ccc(O)c(O)c1Cl)SCC[NH3+] ZINC001193236864 923556968 /nfs/dbraw/zinc/55/69/68/923556968.db2.gz SBRBSYAGHCXOMA-UHFFFAOYSA-N 1 0 289.744 1.108 20 10 CDCDRO [NH3+][C@H]1CCN(c2ccc3c(c2)C(=O)N(C2CC2)C3)C1 ZINC001164281401 924744342 /nfs/dbraw/zinc/74/43/42/924744342.db2.gz AWNOHSYIHMTHBI-NSHDSACASA-N 1 0 257.337 1.342 20 10 CDCDRO COc1cccc(CN[C@H](CC[NH3+])C(F)F)c1O ZINC000841072921 936974420 /nfs/dbraw/zinc/97/44/20/936974420.db2.gz CUUPTKUMBLEWAZ-SECBINFHSA-N 1 0 260.284 1.473 20 10 CDCDRO OC[C@@H]1CCn2nccc2CN1Cc1ccc(O)c(O)c1 ZINC001203880808 925182983 /nfs/dbraw/zinc/18/29/83/925182983.db2.gz ISJDBRLCHDFSCO-ZDUSSCGKSA-N 1 0 289.335 1.061 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H](O)c2ccco2)cc1OC ZINC000775918503 925567940 /nfs/dbraw/zinc/56/79/40/925567940.db2.gz RIHQPELMYUYVSU-LBPRGKRZSA-N 1 0 293.319 1.826 20 10 CDCDRO COc1cc(CN2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855033 925574473 /nfs/dbraw/zinc/57/44/73/925574473.db2.gz LJSAKJKVTAQERW-DGCLKSJQSA-N 1 0 294.395 1.969 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000841720282 937012680 /nfs/dbraw/zinc/01/26/80/937012680.db2.gz UCSGADXNOOHUBS-CQSZACIVSA-N 1 0 290.411 1.775 20 10 CDCDRO CC[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142502703 937023289 /nfs/dbraw/zinc/02/32/89/937023289.db2.gz UWAYCDKYJAGNHJ-UHFFFAOYSA-N 1 0 256.296 1.808 20 10 CDCDRO CCOCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350507 937141440 /nfs/dbraw/zinc/14/14/40/937141440.db2.gz OJMXRQVNPQPNCK-UHFFFAOYSA-N 1 0 291.395 1.051 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+][C@H](C)[C@H]2C)c1O ZINC000843378042 937144390 /nfs/dbraw/zinc/14/43/90/937144390.db2.gz YGVLLOKNUTYAEP-NXEZZACHSA-N 1 0 280.343 1.916 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c1O ZINC000843385986 937144992 /nfs/dbraw/zinc/14/49/92/937144992.db2.gz GJGSTYYHBCFERE-IAQYHMDHSA-N 1 0 292.354 1.918 20 10 CDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113330102 928418932 /nfs/dbraw/zinc/41/89/32/928418932.db2.gz BTDMUGUFVHDQFZ-LLVKDONJSA-N 1 0 277.347 1.662 20 10 CDCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)S(C)(=O)=O ZINC000697641010 937285644 /nfs/dbraw/zinc/28/56/44/937285644.db2.gz ILXDTWLITSMISL-MRVPVSSYSA-N 1 0 277.773 1.568 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](CCO)COC)c1O ZINC000691493785 929065691 /nfs/dbraw/zinc/06/56/91/929065691.db2.gz LDTBFOOSKUHSCE-ZDUSSCGKSA-N 1 0 253.342 1.442 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000862757758 929465475 /nfs/dbraw/zinc/46/54/75/929465475.db2.gz DESYXQKJIXEMDD-CQSZACIVSA-N 1 0 264.369 1.903 20 10 CDCDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001170090237 929604543 /nfs/dbraw/zinc/60/45/43/929604543.db2.gz JRHWIDNMMREMCX-PUYPPJJSSA-N 1 0 251.326 1.909 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000815101381 929946196 /nfs/dbraw/zinc/94/61/96/929946196.db2.gz XTTMHBPKLQKUFE-GDBMZVCRSA-N 1 0 278.396 1.318 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1F ZINC000886226677 930831950 /nfs/dbraw/zinc/83/19/50/930831950.db2.gz PTHRUVOBFCZGRD-KGLIPLIRSA-N 1 0 296.386 1.911 20 10 CDCDRO COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC001275267015 931718726 /nfs/dbraw/zinc/71/87/26/931718726.db2.gz IIJAKTGRBNPMNT-GASCZTMLSA-N 1 0 292.379 1.271 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCCC1=O ZINC001144499858 931858493 /nfs/dbraw/zinc/85/84/93/931858493.db2.gz MITTWPSILURRFL-VIFPVBQESA-N 1 0 265.309 1.604 20 10 CDCDRO CCOC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144508961 931874970 /nfs/dbraw/zinc/87/49/70/931874970.db2.gz FQLXPVSXZCIOCQ-UHFFFAOYSA-N 1 0 267.325 1.804 20 10 CDCDRO O=C1C[N@@H+](Cc2c(O)cc(O)cc2O)CC2(CCCC2)N1 ZINC001144515615 931880126 /nfs/dbraw/zinc/88/01/26/931880126.db2.gz CNAHGDOPPRJZPD-UHFFFAOYSA-N 1 0 292.335 1.048 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000846145096 931987356 /nfs/dbraw/zinc/98/73/56/931987356.db2.gz KHADGFDDTNDEBY-PWSUYJOCSA-N 1 0 278.352 1.672 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c(O)c1 ZINC001276169785 932592011 /nfs/dbraw/zinc/59/20/11/932592011.db2.gz WLWUKERNUUXIMX-UHFFFAOYSA-N 1 0 298.390 1.884 20 10 CDCDRO c1cc(N2CCCC2)ccc1CN[C@@H]1C[NH2+]CCOC1 ZINC000925545095 932902825 /nfs/dbraw/zinc/90/28/25/932902825.db2.gz XCLMXCRZWWRLIL-OAHLLOKOSA-N 1 0 275.396 1.365 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c1O ZINC001206656961 937657188 /nfs/dbraw/zinc/65/71/88/937657188.db2.gz NQDVENZFIWPOFD-NSHDSACASA-N 1 0 272.295 1.569 20 10 CDCDRO CN1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@H](CO)C1 ZINC001119246910 937703245 /nfs/dbraw/zinc/70/32/45/937703245.db2.gz LCRJHCLJEWMVHE-KRWDZBQOSA-N 1 0 289.423 1.395 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CSC)c1 ZINC000188224548 934430656 /nfs/dbraw/zinc/43/06/56/934430656.db2.gz LEQDZOKPCXRVIX-NXEZZACHSA-N 1 0 271.382 1.775 20 10 CDCDRO Nc1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC001120592160 937815056 /nfs/dbraw/zinc/81/50/56/937815056.db2.gz QJPCNCBSVLUWAB-QEJZJMRPSA-N 1 0 288.395 1.538 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC001122115372 937906710 /nfs/dbraw/zinc/90/67/10/937906710.db2.gz XNYHQLKLYMXODI-LYIQGSDWSA-N 1 0 260.337 1.710 20 10 CDCDRO C[C@@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]C1 ZINC001160924317 938844578 /nfs/dbraw/zinc/84/45/78/938844578.db2.gz IBAMRRFTMCMERK-MRXNPFEDSA-N 1 0 290.363 1.372 20 10 CDCDRO NC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001278254597 945214649 /nfs/dbraw/zinc/21/46/49/945214649.db2.gz AUBIMUIEHKFIIV-GFCCVEGCSA-N 1 0 278.327 1.619 20 10 CDCDRO CNc1ccccc1NCc1noc2c1C[NH2+]CC2 ZINC001163134705 939209756 /nfs/dbraw/zinc/20/97/56/939209756.db2.gz BKESZNZNTZMQBT-UHFFFAOYSA-N 1 0 258.325 1.974 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001203550188 939692831 /nfs/dbraw/zinc/69/28/31/939692831.db2.gz KZZHMORJHWOAEL-STQMWFEESA-N 1 0 257.280 1.637 20 10 CDCDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCS1 ZINC001203561327 939693290 /nfs/dbraw/zinc/69/32/90/939693290.db2.gz QLSPXQFEHQBMAF-CYBMUJFWSA-N 1 0 281.377 1.873 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CC2COC2)c1O ZINC001203614337 939696626 /nfs/dbraw/zinc/69/66/26/939696626.db2.gz XMUYGQRMNSHHCU-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC001203620389 939696768 /nfs/dbraw/zinc/69/67/68/939696768.db2.gz DACGIIDMBHSCFC-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c(O)c1 ZINC001203620939 939697149 /nfs/dbraw/zinc/69/71/49/939697149.db2.gz KBPMAKPSBSCSPL-CYBMUJFWSA-N 1 0 293.363 1.517 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001203670397 939700052 /nfs/dbraw/zinc/70/00/52/939700052.db2.gz QODYHIZVCYYAED-WCQYABFASA-N 1 0 255.289 1.306 20 10 CDCDRO CN(C)C(=O)C1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC001203933612 939714509 /nfs/dbraw/zinc/71/45/09/939714509.db2.gz BYFUNHHBXNOQAF-UHFFFAOYSA-N 1 0 261.369 1.273 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)cc1 ZINC001203931215 939714903 /nfs/dbraw/zinc/71/49/03/939714903.db2.gz DDYLCIPZKZVKNJ-QGZVFWFLSA-N 1 0 287.407 1.855 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276110 939750060 /nfs/dbraw/zinc/75/00/60/939750060.db2.gz GZTZTGIVRVBCGN-ZYHUDNBSSA-N 1 0 279.336 1.871 20 10 CDCDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275845 939750505 /nfs/dbraw/zinc/75/05/05/939750505.db2.gz CVHZMDFADKXGAN-CQSZACIVSA-N 1 0 251.326 1.835 20 10 CDCDRO C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)[C@H]1CO ZINC001204276732 939750823 /nfs/dbraw/zinc/75/08/23/939750823.db2.gz PROCRQDLNUJGGL-MFKMUULPSA-N 1 0 251.326 1.691 20 10 CDCDRO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276713 939751358 /nfs/dbraw/zinc/75/13/58/939751358.db2.gz PAXHOTJMVCQPHS-GXSJLCMTSA-N 1 0 255.289 1.250 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC12CC2 ZINC001204281809 939752304 /nfs/dbraw/zinc/75/23/04/939752304.db2.gz KVYSKMUVNUZNDD-GFCCVEGCSA-N 1 0 277.320 1.483 20 10 CDCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)CC[C@@H]21 ZINC001204281434 939752750 /nfs/dbraw/zinc/75/27/50/939752750.db2.gz FEUIHFHSYJEBHI-FZMZJTMJSA-N 1 0 290.363 1.541 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204280600 939752822 /nfs/dbraw/zinc/75/28/22/939752822.db2.gz LGZWERQVMZUVCQ-NSHDSACASA-N 1 0 279.336 1.873 20 10 CDCDRO COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)cc(O)c1O ZINC001204341891 939756392 /nfs/dbraw/zinc/75/63/92/939756392.db2.gz HXCAGCSJRDUIOL-ONGXEEELSA-N 1 0 267.325 1.452 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)cc(O)c1O ZINC001204341836 939757623 /nfs/dbraw/zinc/75/76/23/939757623.db2.gz HBXQTDZJXJAZBI-MNOVXSKESA-N 1 0 285.315 1.401 20 10 CDCDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)cc(O)c1O ZINC001204341418 939757769 /nfs/dbraw/zinc/75/77/69/939757769.db2.gz CAIHZSUATATHCQ-GFCCVEGCSA-N 1 0 280.368 1.632 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]([NH3+])C[C@H](O)C2)cc1 ZINC001204954066 939807898 /nfs/dbraw/zinc/80/78/98/939807898.db2.gz FEGPQRVNFNAOSR-WMZOPIPTSA-N 1 0 299.418 1.988 20 10 CDCDRO Cc1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205973096 939962488 /nfs/dbraw/zinc/96/24/88/939962488.db2.gz GGNSQHVTEBEKPE-VXGBXAGGSA-N 1 0 270.760 1.248 20 10 CDCDRO Cc1ccc(O)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1 ZINC001206132374 939984572 /nfs/dbraw/zinc/98/45/72/939984572.db2.gz OIEBXAIYMJPCEK-NSHDSACASA-N 1 0 256.296 1.869 20 10 CDCDRO O=C1c2ccccc2C(=O)c2c(OC3C[NH2+]C3)ccc(O)c21 ZINC001218049552 941037903 /nfs/dbraw/zinc/03/79/03/941037903.db2.gz LDOHMKMVMYRYSK-UHFFFAOYSA-N 1 0 295.294 1.518 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(O)c1 ZINC000190059435 941346881 /nfs/dbraw/zinc/34/68/81/941346881.db2.gz NPCMFAJIIIHOTE-MFKMUULPSA-N 1 0 251.326 1.604 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001220167079 941419708 /nfs/dbraw/zinc/41/97/08/941419708.db2.gz KFGJFHUVSZLABZ-DOTOQJQBSA-N 1 0 287.407 1.850 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)cc1 ZINC001276958080 941731167 /nfs/dbraw/zinc/73/11/67/941731167.db2.gz DWFGPMGIRXBCJP-RHSMWYFYSA-N 1 0 287.407 1.840 20 10 CDCDRO NC(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001277442520 942579319 /nfs/dbraw/zinc/57/93/19/942579319.db2.gz WTIHTNSBFHFQHG-XJKSGUPXSA-N 1 0 274.364 1.870 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCc3nn(C)cc3C2)c1O ZINC001231593393 942939374 /nfs/dbraw/zinc/93/93/74/942939374.db2.gz WCVNCNKAFCLKCF-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@H]3C[C@]32C(=O)N(C)C)c(O)c1 ZINC001277569473 943022453 /nfs/dbraw/zinc/02/24/53/943022453.db2.gz ZGQDUZUROVCQJC-XJKSGUPXSA-N 1 0 274.364 1.753 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C2)CCOC[C@H]3C(N)=O)c(O)c1 ZINC001277569355 943022723 /nfs/dbraw/zinc/02/27/23/943022723.db2.gz XPIDRTKONYSIBA-ZDUSSCGKSA-N 1 0 290.363 1.024 20 10 CDCDRO COCCN1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231843672 943025992 /nfs/dbraw/zinc/02/59/92/943025992.db2.gz DFJJPGJELQREFZ-UHFFFAOYSA-N 1 0 278.396 1.773 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001231841958 943026596 /nfs/dbraw/zinc/02/65/96/943026596.db2.gz IJIFLIXMWXJIFU-JSGCOSHPSA-N 1 0 253.317 1.914 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+](C)CC2)cc1Cl ZINC001232265748 943195317 /nfs/dbraw/zinc/19/53/17/943195317.db2.gz PLDVNCKZRCMYBZ-UHFFFAOYSA-N 1 0 270.760 1.802 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C2CC2)C2COC2)c(O)c1 ZINC001232838737 943415665 /nfs/dbraw/zinc/41/56/65/943415665.db2.gz CTYLOHYVBRBOAF-UHFFFAOYSA-N 1 0 262.353 1.821 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(O)c(O)c(O)c2)C(C)(C)C1 ZINC001233016228 943464242 /nfs/dbraw/zinc/46/42/42/943464242.db2.gz PNYGYEPJZFLDHT-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483424 943593157 /nfs/dbraw/zinc/59/31/57/943593157.db2.gz YWALREBPJXBZGJ-AWEZNQCLSA-N 1 0 267.325 1.540 20 10 CDCDRO CC[NH+]1C[C@@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]2C1 ZINC001233487845 943595015 /nfs/dbraw/zinc/59/50/15/943595015.db2.gz UTUZXWCOJUDUFT-VXGBXAGGSA-N 1 0 278.352 1.187 20 10 CDCDRO CN1CCOc2cc(CN3CC[NH2+]CC3(C)C)ccc21 ZINC001235825345 944288602 /nfs/dbraw/zinc/28/86/02/944288602.db2.gz DUKQMAPLRYOQAU-UHFFFAOYSA-N 1 0 275.396 1.699 20 10 CDCDRO CN1CCCc2cc(CN3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235981372 944344262 /nfs/dbraw/zinc/34/42/62/944344262.db2.gz QFGOTTPDZBABEY-RDJZCZTQSA-N 1 0 271.408 1.992 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1OC ZINC001235988443 944352016 /nfs/dbraw/zinc/35/20/16/944352016.db2.gz HWTWHCWOTCHJLS-XHDPSFHLSA-N 1 0 278.352 1.333 20 10 CDCDRO CN(Cc1cc(Cl)c(O)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236122565 944409072 /nfs/dbraw/zinc/40/90/72/944409072.db2.gz WKGPTKLGQYOSQD-JTQLQIEISA-N 1 0 270.760 1.935 20 10 CDCDRO [NH3+]C[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1F ZINC001236246437 944436983 /nfs/dbraw/zinc/43/69/83/944436983.db2.gz BBSVCPMOBBPVTP-OAHLLOKOSA-N 1 0 293.386 1.585 20 10 CDCDRO CCc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC001236784364 944565726 /nfs/dbraw/zinc/56/57/26/944565726.db2.gz VGIGBZZMHOITKD-HNNXBMFYSA-N 1 0 278.396 1.717 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c(O)c1 ZINC001236806922 944573812 /nfs/dbraw/zinc/57/38/12/944573812.db2.gz CLAIVUCKNUQXKG-VXGBXAGGSA-N 1 0 283.343 1.862 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001237484620 944809620 /nfs/dbraw/zinc/80/96/20/944809620.db2.gz GKCNPOUYXWHDLH-UONOGXRCSA-N 1 0 253.317 1.995 20 10 CDCDRO COCCCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237487854 944814141 /nfs/dbraw/zinc/81/41/41/944814141.db2.gz NRBVWTADFXDHSN-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccncn2)CC1 ZINC001237492509 944814549 /nfs/dbraw/zinc/81/45/49/944814549.db2.gz RWPZVMKJVXBZPP-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO CC[N@H+](CCOC)Cc1cc(OC)cc(OC)c1O ZINC001237674465 944918324 /nfs/dbraw/zinc/91/83/24/944918324.db2.gz IRZVTVNRSOASAA-UHFFFAOYSA-N 1 0 269.341 1.878 20 10 CDCDRO Cc1cc(F)cc(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c1O ZINC001238068497 945048847 /nfs/dbraw/zinc/04/88/47/945048847.db2.gz ZHUDAYVJAZGLGA-AWEZNQCLSA-N 1 0 294.370 1.745 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238069337 945050977 /nfs/dbraw/zinc/05/09/77/945050977.db2.gz YEHWKZPWOFRALO-ZDUSSCGKSA-N 1 0 266.316 1.550 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC001262488009 946681996 /nfs/dbraw/zinc/68/19/96/946681996.db2.gz MYKIMQDLSUXFQG-QGZVFWFLSA-N 1 0 289.423 1.956 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(N)cc3)C[C@@H]2C1 ZINC001262488059 946682094 /nfs/dbraw/zinc/68/20/94/946682094.db2.gz OQXQVQPIRAVOMP-OKILXGFUSA-N 1 0 259.353 1.179 20 10 CDCDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603194 946759188 /nfs/dbraw/zinc/75/91/88/946759188.db2.gz AHHCQYADLSPKLU-HNNXBMFYSA-N 1 0 290.411 1.941 20 10 CDCDRO C[C@@H](CC(=O)N1CCOCC1)[N@H+](C)Cc1ccccc1O ZINC001256342502 948279591 /nfs/dbraw/zinc/27/95/91/948279591.db2.gz GPHDZMVLCBADBJ-ZDUSSCGKSA-N 1 0 292.379 1.461 20 10 CDCDRO Oc1cc2c(cc1O)CN([C@@H]1CCC[NH2+]C1)CCC2 ZINC001246874395 948497329 /nfs/dbraw/zinc/49/73/29/948497329.db2.gz FCOQQLRDBIXXJP-CYBMUJFWSA-N 1 0 262.353 1.598 20 10 CDCDRO C[N@H+](CC(=O)NCc1c(O)cccc1O)[C@@H]1CCSC1 ZINC001304053800 956157478 /nfs/dbraw/zinc/15/74/78/956157478.db2.gz SMDKIYKNUUBLMS-SNVBAGLBSA-N 1 0 296.392 1.151 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(C(C)C)ccc1O ZINC001308699447 956563739 /nfs/dbraw/zinc/56/37/39/956563739.db2.gz PYQAYLMQQYXKES-KBPBESRZSA-N 1 0 293.363 1.624 20 10 CDCDRO C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001331419823 957040273 /nfs/dbraw/zinc/04/02/73/957040273.db2.gz SCOCCYCJHJVWTN-SECBINFHSA-N 1 0 283.328 1.254 20 10 CDCDRO COc1cc(C)cc(C[N@H+](CCO)C2CCOCC2)c1O ZINC001332005138 957394969 /nfs/dbraw/zinc/39/49/69/957394969.db2.gz RFYJLEQFPHUJCG-UHFFFAOYSA-N 1 0 295.379 1.683 20 10 CDCDRO C[C@H]1COCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC001318457387 958109603 /nfs/dbraw/zinc/10/96/03/958109603.db2.gz SHXKKAZKRZFDDN-NSHDSACASA-N 1 0 284.787 1.856 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC1([NH3+])CC1 ZINC001336032939 960164783 /nfs/dbraw/zinc/16/47/83/960164783.db2.gz GYPVWHFDLULKBY-UHFFFAOYSA-N 1 0 276.384 1.352 20 10 CDCDRO CC[NH+](CC)CCCNC(=O)NCc1ccc(N)cc1 ZINC001353254334 967829950 /nfs/dbraw/zinc/82/99/50/967829950.db2.gz MCYVEPOVZXITEP-UHFFFAOYSA-N 1 0 278.400 1.800 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c(O)c1OC ZINC001355252332 969100012 /nfs/dbraw/zinc/10/00/12/969100012.db2.gz KOZIXWAXKXQTOL-LLVKDONJSA-N 1 0 294.395 1.982 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]([NH3+])C(C)(C)C ZINC001576051416 1171322491 /nfs/dbraw/zinc/32/24/91/1171322491.db2.gz BMDPWALCDQSXQR-YGRLFVJLSA-N 1 0 294.395 1.909 20 10 CDCDRO CC1(C)C[NH2+]C[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001576472284 1171431216 /nfs/dbraw/zinc/43/12/16/1171431216.db2.gz GOIPGWQCJBDZBA-DIECRNLCSA-N 1 0 276.336 1.225 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2CC2)cc1 ZINC000047921502 342145965 /nfs/dbraw/zinc/14/59/65/342145965.db2.gz VPXGFTYOJDCFFF-UHFFFAOYSA-N 1 0 275.396 1.805 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000090849157 342397720 /nfs/dbraw/zinc/39/77/20/342397720.db2.gz FXUXGCFOHNKQEB-CVEARBPZSA-N 1 0 278.396 1.945 20 10 CDCDRO C[C@H]1C[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000072872248 345378629 /nfs/dbraw/zinc/37/86/29/345378629.db2.gz QWMXOJBFSPVVHO-KBPBESRZSA-N 1 0 289.423 1.957 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[S@@](=O)C1 ZINC000277311889 366400787 /nfs/dbraw/zinc/40/07/87/366400787.db2.gz BPGZPGCGYWZMOT-APPDUMDISA-N 1 0 253.367 1.593 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(F)CC[NH2+]C1 ZINC000370783420 358968779 /nfs/dbraw/zinc/96/87/79/358968779.db2.gz YEVJEUQXKXGBMK-HNNXBMFYSA-N 1 0 293.342 1.180 20 10 CDCDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268927952 364114873 /nfs/dbraw/zinc/11/48/73/364114873.db2.gz YMVGKXZCCCIQHO-ZIAGYGMSSA-N 1 0 278.396 1.945 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)c(O)c1O ZINC000293667975 370738030 /nfs/dbraw/zinc/73/80/30/370738030.db2.gz GHHIRHCBRSUHAI-VIFPVBQESA-N 1 0 266.341 1.334 20 10 CDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179934320 365002763 /nfs/dbraw/zinc/00/27/63/365002763.db2.gz AELLXESHPYTOTE-LBPRGKRZSA-N 1 0 266.316 1.632 20 10 CDCDRO C[C@H]([NH2+]CCCOCCO)c1ccc(N(C)C)cc1 ZINC000180242140 365004058 /nfs/dbraw/zinc/00/40/58/365004058.db2.gz ISADAMCZSNOBQM-ZDUSSCGKSA-N 1 0 266.385 1.802 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Cl)ccc1O ZINC000273610938 365511529 /nfs/dbraw/zinc/51/15/29/365511529.db2.gz VTWVESFEYFFBDP-WCQYABFASA-N 1 0 297.830 1.942 20 10 CDCDRO COc1cccc(C[N@H+](C)CCc2cnccn2)c1O ZINC000273761923 365522438 /nfs/dbraw/zinc/52/24/38/365522438.db2.gz PHRHRFVBUZUHQP-UHFFFAOYSA-N 1 0 273.336 1.865 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000281702431 367676010 /nfs/dbraw/zinc/67/60/10/367676010.db2.gz STTUCNDNAGZJOV-NEPJUHHUSA-N 1 0 253.342 1.749 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000282451363 367892514 /nfs/dbraw/zinc/89/25/14/367892514.db2.gz KDWKNSTWAADTCW-UHFFFAOYSA-N 1 0 279.315 1.664 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000282674055 367985552 /nfs/dbraw/zinc/98/55/52/367985552.db2.gz HTQDQZWDUQOFQC-SECBINFHSA-N 1 0 289.784 1.665 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1 ZINC000288600461 369472782 /nfs/dbraw/zinc/47/27/82/369472782.db2.gz PNXNGPYRXOXSFD-CMPLNLGQSA-N 1 0 269.366 1.223 20 10 CDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000295198262 371144221 /nfs/dbraw/zinc/14/42/21/371144221.db2.gz OTXGWLCFTSCROQ-JTQLQIEISA-N 1 0 279.359 1.648 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000274170725 371188257 /nfs/dbraw/zinc/18/82/57/371188257.db2.gz WNWHFTRMTJLPSF-CYBMUJFWSA-N 1 0 283.393 1.710 20 10 CDCDRO Cc1cc(CN2CC[NH+](CCO)CC2)ccc1N(C)C ZINC000293546619 378573681 /nfs/dbraw/zinc/57/36/81/378573681.db2.gz QUBKBPBBCCQTLA-UHFFFAOYSA-N 1 0 277.412 1.171 20 10 CDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000295017000 378657613 /nfs/dbraw/zinc/65/76/13/378657613.db2.gz UCCLLRPUDNKHIK-MRXNPFEDSA-N 1 0 290.407 1.868 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000296088708 378716626 /nfs/dbraw/zinc/71/66/26/378716626.db2.gz XXWWHHCYQDGODP-INTQDDNPSA-N 1 0 265.309 1.353 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CNC(C)=O)cc2F)CC1 ZINC000106702795 390552821 /nfs/dbraw/zinc/55/28/21/390552821.db2.gz OCGWJNUYSUPDMT-UHFFFAOYSA-N 1 0 279.359 1.604 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093813875 390904790 /nfs/dbraw/zinc/90/47/90/390904790.db2.gz BNWNWIQVENNDJZ-HNNXBMFYSA-N 1 0 279.336 1.786 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1O)OCO2 ZINC000052002603 390965559 /nfs/dbraw/zinc/96/55/59/390965559.db2.gz ZKMZHYBDWOUEGQ-GHMZBOCLSA-N 1 0 265.309 1.514 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000179578960 391213150 /nfs/dbraw/zinc/21/31/50/391213150.db2.gz GPKXGPUBMPYYPW-LLVKDONJSA-N 1 0 261.243 1.891 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2cc(C)ccc2O)cn1 ZINC000281886042 391418804 /nfs/dbraw/zinc/41/88/04/391418804.db2.gz DOHCMKOUCFDOKE-UHFFFAOYSA-N 1 0 275.352 1.833 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000188493749 391458633 /nfs/dbraw/zinc/45/86/33/391458633.db2.gz ZMDHZMVAPXCFIY-VIFPVBQESA-N 1 0 280.324 1.077 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1O ZINC000038060223 174070619 /nfs/dbraw/zinc/07/06/19/174070619.db2.gz VOUZJJOSIHZPBA-DGCLKSJQSA-N 1 0 251.326 1.848 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)CS(C)(=O)=O)c1O ZINC000078639414 260168462 /nfs/dbraw/zinc/16/84/62/260168462.db2.gz XHXXZNAPXGRYNQ-JTQLQIEISA-N 1 0 287.381 1.314 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000157210309 261142422 /nfs/dbraw/zinc/14/24/22/261142422.db2.gz KNCCNDADIWXCCK-CQSZACIVSA-N 1 0 275.396 1.840 20 10 CDCDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000183595381 261981557 /nfs/dbraw/zinc/98/15/57/261981557.db2.gz URPCCFWADDRYIY-NSHDSACASA-N 1 0 286.397 1.371 20 10 CDCDRO C[C@@H]([NH2+]CCOCCO)c1cc2c(cc1O)CCCC2 ZINC000184886898 262032687 /nfs/dbraw/zinc/03/26/87/262032687.db2.gz ZYFAFEAJRJCSNJ-GFCCVEGCSA-N 1 0 279.380 1.931 20 10 CDCDRO C[C@H]([NH2+]CC1(C)OCCO1)c1cc(F)ccc1O ZINC000186212123 262084730 /nfs/dbraw/zinc/08/47/30/262084730.db2.gz ASYBVDXXTBKMHH-VIFPVBQESA-N 1 0 255.289 1.945 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186203506 262084786 /nfs/dbraw/zinc/08/47/86/262084786.db2.gz ANBAXSPDMFCXHQ-KOLCDFICSA-N 1 0 257.305 1.579 20 10 CDCDRO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)c(O)c1O ZINC000186758351 262109069 /nfs/dbraw/zinc/10/90/69/262109069.db2.gz AIYISVQDIALVQE-UHFFFAOYSA-N 1 0 278.352 1.572 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCN1CCCOCC1 ZINC000289567727 263110956 /nfs/dbraw/zinc/11/09/56/263110956.db2.gz ZJWAOIQGZPEQQZ-UHFFFAOYSA-N 1 0 268.332 1.343 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000372687622 267592147 /nfs/dbraw/zinc/59/21/47/267592147.db2.gz VPEUNSVTXIEERR-MRXNPFEDSA-N 1 0 289.379 1.827 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000188476517 327864071 /nfs/dbraw/zinc/86/40/71/327864071.db2.gz NDZUEHWBOYEBTN-NSHDSACASA-N 1 0 250.342 1.657 20 10 CDCDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000289561379 328255464 /nfs/dbraw/zinc/25/54/64/328255464.db2.gz LAHHIRWOCQLBMZ-UKRRQHHQSA-N 1 0 276.380 1.985 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](F)(CO)C2)c1 ZINC000289722295 328256058 /nfs/dbraw/zinc/25/60/58/328256058.db2.gz HHYJNJIGYWYUDJ-CQSZACIVSA-N 1 0 253.317 1.997 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CCO)COC)c1O ZINC000219141197 333142852 /nfs/dbraw/zinc/14/28/52/333142852.db2.gz SVRMBDTVJPKDFW-LBPRGKRZSA-N 1 0 269.341 1.278 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(F)ccc1O ZINC000273580545 334767303 /nfs/dbraw/zinc/76/73/03/334767303.db2.gz MOGRIWUIKKVVJM-SCZZXKLOSA-N 1 0 252.289 1.413 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(O)c1O ZINC000271324432 482834837 /nfs/dbraw/zinc/83/48/37/482834837.db2.gz YBUXKGJDRPLKHW-STQMWFEESA-N 1 0 290.363 1.763 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000290107856 519787027 /nfs/dbraw/zinc/78/70/27/519787027.db2.gz HZFCTLVTRCOXGX-UHFFFAOYSA-N 1 0 291.800 1.958 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037268346 521745552 /nfs/dbraw/zinc/74/55/52/521745552.db2.gz DGTIZGYZUPXSAC-NEPJUHHUSA-N 1 0 263.385 1.928 20 10 CDCDRO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000291171649 521889848 /nfs/dbraw/zinc/88/98/48/521889848.db2.gz DRINJTZKCMZFED-MRXNPFEDSA-N 1 0 278.396 1.990 20 10 CDCDRO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000291243691 521891441 /nfs/dbraw/zinc/89/14/41/521891441.db2.gz LLNSBFLKDVJOEW-CQSZACIVSA-N 1 0 265.353 1.938 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cc1F ZINC000237083912 522201159 /nfs/dbraw/zinc/20/11/59/522201159.db2.gz WZYSQJFTNWURCV-LLVKDONJSA-N 1 0 265.332 1.117 20 10 CDCDRO CNC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000044988135 524069188 /nfs/dbraw/zinc/06/91/88/524069188.db2.gz AYQSROSFANPBOX-SECBINFHSA-N 1 0 252.314 1.188 20 10 CDCDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccn1 ZINC000295162404 524137630 /nfs/dbraw/zinc/13/76/30/524137630.db2.gz 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/nfs/dbraw/zinc/42/61/65/526426165.db2.gz XIPHIRUWPKJKOW-UHFFFAOYSA-N 1 0 288.391 1.576 20 10 CDCDRO O=C(NCc1ccccc1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279974855 526755830 /nfs/dbraw/zinc/75/58/30/526755830.db2.gz UOJZGFUBLZKSEQ-CYBMUJFWSA-N 1 0 260.337 1.635 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000037812709 527475667 /nfs/dbraw/zinc/47/56/67/527475667.db2.gz FPJOIVUGSIDCGD-OAHLLOKOSA-N 1 0 273.380 1.508 20 10 CDCDRO OCCOCC[NH2+]Cc1cc(Br)ccc1O ZINC000067697558 527557068 /nfs/dbraw/zinc/55/70/68/527557068.db2.gz NGSBTUSGZZABNW-UHFFFAOYSA-N 1 0 290.157 1.253 20 10 CDCDRO C[NH+]1CCC(CCNC(=O)C2=CC(=O)CS2)CC1 ZINC000732281315 575086690 /nfs/dbraw/zinc/08/66/90/575086690.db2.gz XTNIAOFENDJYLG-UHFFFAOYSA-N 1 0 268.382 1.915 20 10 CDCDRO C[NH+](C)CCOC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000743410244 576638553 /nfs/dbraw/zinc/63/85/53/576638553.db2.gz UFPJRODDRQDDFF-UHFFFAOYSA-N 1 0 298.408 1.637 20 10 CDCDRO COc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1O ZINC000769507250 575353864 /nfs/dbraw/zinc/35/38/64/575353864.db2.gz BEGUJVRWRDVEOZ-VXGBXAGGSA-N 1 0 292.379 1.890 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCNC2=O)c(O)c1 ZINC000770384351 575443850 /nfs/dbraw/zinc/44/38/50/575443850.db2.gz XNQAYNGIZQMKGO-LBPRGKRZSA-N 1 0 264.325 1.111 20 10 CDCDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000771765627 575609497 /nfs/dbraw/zinc/60/94/97/575609497.db2.gz CMKLXXSKKLWXIT-BONVTDFDSA-N 1 0 297.351 1.366 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@](C)(O)CSC)c(O)c1 ZINC000738441053 576074553 /nfs/dbraw/zinc/07/45/53/576074553.db2.gz PWRPNZZJSSVEDK-AWEZNQCLSA-N 1 0 285.409 1.995 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000766469080 576105083 /nfs/dbraw/zinc/10/50/83/576105083.db2.gz NMLYPWTYOVJJBJ-AWEZNQCLSA-N 1 0 299.754 1.857 20 10 CDCDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C1=CC(=O)CS1 ZINC000768229157 576265570 /nfs/dbraw/zinc/26/55/70/576265570.db2.gz DESQNGGVIUFZTQ-NSHDSACASA-N 1 0 286.397 1.540 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC)CC(=O)NC)c1 ZINC000768309082 576270838 /nfs/dbraw/zinc/27/08/38/576270838.db2.gz XPVTVXLKLWQVJY-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000768533221 576294504 /nfs/dbraw/zinc/29/45/04/576294504.db2.gz JEDOHCLQWXBXKT-AWEZNQCLSA-N 1 0 283.299 1.343 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c(O)c1 ZINC000769206535 576337350 /nfs/dbraw/zinc/33/73/50/576337350.db2.gz OZQXNXILVQXDIX-ZDUSSCGKSA-N 1 0 290.363 1.598 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCSC2)c(O)c1 ZINC000747621905 576877213 /nfs/dbraw/zinc/87/72/13/576877213.db2.gz GAZIXYJNMDNAJP-AWEZNQCLSA-N 1 0 283.393 1.749 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000748558277 576917205 /nfs/dbraw/zinc/91/72/05/576917205.db2.gz XIHFZZYHULIGJQ-OAHLLOKOSA-N 1 0 275.396 1.805 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)CC(F)F)c1 ZINC000758613419 577121713 /nfs/dbraw/zinc/12/17/13/577121713.db2.gz AYMQGTCCPQMPED-JTQLQIEISA-N 1 0 275.295 1.897 20 10 CDCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000753030717 577141191 /nfs/dbraw/zinc/14/11/91/577141191.db2.gz VXZYNBKZWHTKHP-WMADIVHISA-N 1 0 292.379 1.956 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000759173998 577157204 /nfs/dbraw/zinc/15/72/04/577157204.db2.gz SVOXJLYXRBBGSX-HIFRSBDPSA-N 1 0 265.353 1.984 20 10 CDCDRO CO[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254954 617391602 /nfs/dbraw/zinc/39/16/02/617391602.db2.gz KUMTWZRNRZJUSZ-DOMZBBRYSA-N 1 0 293.411 1.506 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C)c(O)c1OC ZINC000893344054 617612621 /nfs/dbraw/zinc/61/26/21/617612621.db2.gz KNBKAZFKESOOPK-SNVBAGLBSA-N 1 0 268.357 1.449 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](C)C[C@@H](C)O)c(O)c1OC ZINC000893043101 618095468 /nfs/dbraw/zinc/09/54/68/618095468.db2.gz SUMQZDOCRVPOJP-GHMZBOCLSA-N 1 0 283.368 1.906 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CCC(CO)CC2)c1O ZINC000893923544 618182028 /nfs/dbraw/zinc/18/20/28/618182028.db2.gz MKVCTFIIIKAZBH-UHFFFAOYSA-N 1 0 265.353 1.914 20 10 CDCDRO COc1ccc(C[NH2+]CCn2ccnc2)c(O)c1OC ZINC000892441897 618208044 /nfs/dbraw/zinc/20/80/44/618208044.db2.gz SMEXMKDPVPVQEI-UHFFFAOYSA-N 1 0 277.324 1.396 20 10 CDCDRO COc1cc(C)cc(CN2CCN3C(=O)OC[C@H]3C2)c1O ZINC000894055111 618313516 /nfs/dbraw/zinc/31/35/16/618313516.db2.gz PTAJXJBEZCDUJY-GFCCVEGCSA-N 1 0 292.335 1.346 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC(=O)NC(C)C)c1O ZINC000894141643 618619050 /nfs/dbraw/zinc/61/90/50/618619050.db2.gz UVRWOXRAEOINAG-UHFFFAOYSA-N 1 0 266.341 1.323 20 10 CDCDRO CC[C@@](C)(O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894164117 618641844 /nfs/dbraw/zinc/64/18/44/618641844.db2.gz CUTXWLWIVPSALG-CQSZACIVSA-N 1 0 253.342 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCn2cccn2)c1O ZINC000894198965 618688282 /nfs/dbraw/zinc/68/82/82/618688282.db2.gz IEJJTPJOGJLEKB-UHFFFAOYSA-N 1 0 261.325 1.696 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH2+][C@@H](C)[C@H]2C)c1 ZINC000843057842 618692017 /nfs/dbraw/zinc/69/20/17/618692017.db2.gz MMBNDQHHTLOTTE-NWDGAFQWSA-N 1 0 264.369 1.973 20 10 CDCDRO Cc1[nH]ccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298376 618701806 /nfs/dbraw/zinc/70/18/06/618701806.db2.gz NVZYFUPIPZYWOG-HNNXBMFYSA-N 1 0 286.379 1.819 20 10 CDCDRO COc1ccc(N2CC[C@@H](Nc3cc[nH+]cc3CO)C2)cc1 ZINC000894487392 618914437 /nfs/dbraw/zinc/91/44/37/618914437.db2.gz SLKJNHJCJDMUCE-CQSZACIVSA-N 1 0 299.374 1.695 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000894535229 618946816 /nfs/dbraw/zinc/94/68/16/618946816.db2.gz XIDUTNCLMSYFAP-YPMHNXCESA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000894595150 618986220 /nfs/dbraw/zinc/98/62/20/618986220.db2.gz HMCNKFPWYRLKLU-ZDUSSCGKSA-N 1 0 265.353 1.912 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 ZINC000895118073 619309145 /nfs/dbraw/zinc/30/91/45/619309145.db2.gz ZDFHWBWIELYTMI-GRYCIOLGSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c(O)c1OC ZINC000895124280 619319403 /nfs/dbraw/zinc/31/94/03/619319403.db2.gz NQTYGQKVKUOWKI-ONGXEEELSA-N 1 0 267.325 1.676 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1 ZINC000895332234 619571378 /nfs/dbraw/zinc/57/13/78/619571378.db2.gz TXVGMOIKYIEJLL-SWLSCSKDSA-N 1 0 281.352 1.109 20 10 CDCDRO COCC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895975471 619931037 /nfs/dbraw/zinc/93/10/37/619931037.db2.gz XZVFNYZJUQGIJX-UHFFFAOYSA-N 1 0 290.407 1.726 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2C)c(O)c1OC ZINC000896733153 620216522 /nfs/dbraw/zinc/21/65/22/620216522.db2.gz NQDHMSUACGKVEQ-MWLCHTKSSA-N 1 0 267.325 1.534 20 10 CDCDRO [NH3+]CC[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000841335665 620277280 /nfs/dbraw/zinc/27/72/80/620277280.db2.gz RLCSWIVGXBMRQS-JTQLQIEISA-N 1 0 291.273 1.471 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1ccc(N(C)C)c(F)c1 ZINC000897709937 621083057 /nfs/dbraw/zinc/08/30/57/621083057.db2.gz LZMJXXOHHZHHEE-UHFFFAOYSA-N 1 0 281.375 1.850 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1OCCO1)OCO2 ZINC000902623180 625044351 /nfs/dbraw/zinc/04/43/51/625044351.db2.gz VGXNBUAIQMLHSF-NSHDSACASA-N 1 0 293.319 1.458 20 10 CDCDRO COc1c(O)c(CN[C@H]2CC[NH2+]C2(C)C)ccc1[N+](=O)[O-] ZINC000841088359 628643650 /nfs/dbraw/zinc/64/36/50/628643650.db2.gz ZHORWFMJICOOFC-NSHDSACASA-N 1 0 295.339 1.539 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000834902511 1158805744 /nfs/dbraw/zinc/80/57/44/1158805744.db2.gz BWMXWULGXGXYQZ-ZKYQVNSYSA-N 1 0 251.326 1.847 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000237208403 1160207959 /nfs/dbraw/zinc/20/79/59/1160207959.db2.gz TZNATWWHWYHNJR-BDJLRTHQSA-N 1 0 292.379 1.968 20 10 CDCDRO CO[C@]1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCOC1 ZINC000123189000 1165186126 /nfs/dbraw/zinc/18/61/26/1165186126.db2.gz GOKXDYXFVMDGFI-YGRLFVJLSA-N 1 0 269.316 1.987 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)CN1CCOCC1 ZINC000877057131 1165966921 /nfs/dbraw/zinc/96/69/21/1165966921.db2.gz VFHLNDCOQQQTOV-ZDUSSCGKSA-N 1 0 278.396 1.759 20 10 CDCDRO COc1ccc(C[NH2+]CCF)cc1Cn1cccn1 ZINC000877495309 1166048946 /nfs/dbraw/zinc/04/89/46/1166048946.db2.gz BLVUFHHRTTUYOG-UHFFFAOYSA-N 1 0 263.316 1.999 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@]1(O)CCOC1 ZINC000300419461 1186371358 /nfs/dbraw/zinc/37/13/58/1186371358.db2.gz WZHLHSKQORVMIY-XHBSWPGZSA-N 1 0 277.364 1.990 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1O ZINC000069140984 728771102 /nfs/dbraw/zinc/77/11/02/728771102.db2.gz FWHNMOMBLCMEFC-GHMZBOCLSA-N 1 0 269.366 1.620 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886229902 728777427 /nfs/dbraw/zinc/77/74/27/728777427.db2.gz XNRJZFOBIMKMAK-NWDGAFQWSA-N 1 0 281.352 1.420 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000835076827 728840124 /nfs/dbraw/zinc/84/01/24/728840124.db2.gz WHQOAZBJJJDAGF-UHFFFAOYSA-N 1 0 296.367 1.414 20 10 CDCDRO COc1ccc(N2CCCN(C[C@H](C)[NH3+])CC2)cc1 ZINC000844221267 728865865 /nfs/dbraw/zinc/86/58/65/728865865.db2.gz BJWDRCZTPGTMGY-ZDUSSCGKSA-N 1 0 263.385 1.555 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C2(C)COC2)c1O ZINC000877691373 728879291 /nfs/dbraw/zinc/87/92/91/728879291.db2.gz OGEAXBBHILLWPL-UHFFFAOYSA-N 1 0 257.717 1.933 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2cnccn2)CC1 ZINC000876589481 728899662 /nfs/dbraw/zinc/89/96/62/728899662.db2.gz LWDMMHGAKIPXBX-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1O ZINC000846142383 728894530 /nfs/dbraw/zinc/89/45/30/728894530.db2.gz SHGXLWSKEQJZDX-DGCLKSJQSA-N 1 0 295.379 1.839 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000226338619 728895792 /nfs/dbraw/zinc/89/57/92/728895792.db2.gz KIRIKKWBIQMVND-RISCZKNCSA-N 1 0 264.369 1.960 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788269430 728921845 /nfs/dbraw/zinc/92/18/45/728921845.db2.gz NRFLFQBXIVWNQJ-CMPLNLGQSA-N 1 0 251.326 1.746 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c1O ZINC000846167965 728940312 /nfs/dbraw/zinc/94/03/12/728940312.db2.gz PMNDGIAOFPXJHC-MRVPVSSYSA-N 1 0 288.294 1.433 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000876748536 728947003 /nfs/dbraw/zinc/94/70/03/728947003.db2.gz DZIFFGZTJMBCMX-CYBMUJFWSA-N 1 0 251.326 1.548 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000840833157 728383185 /nfs/dbraw/zinc/38/31/85/728383185.db2.gz LPTOZEOQWXCXIE-DOMZBBRYSA-N 1 0 275.396 1.929 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000304528008 728391054 /nfs/dbraw/zinc/39/10/54/728391054.db2.gz MEICFWYACXFKAR-LLVKDONJSA-N 1 0 263.293 1.817 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2coc(C[NH3+])c2)c1 ZINC000828666808 728404708 /nfs/dbraw/zinc/40/47/08/728404708.db2.gz IXBZYERGUPWATG-SECBINFHSA-N 1 0 290.319 1.944 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000839799880 728413133 /nfs/dbraw/zinc/41/31/33/728413133.db2.gz RSZWYQUQXQIAQG-JTQLQIEISA-N 1 0 296.342 1.699 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846165232 728431314 /nfs/dbraw/zinc/43/13/14/728431314.db2.gz UKOJWUCVSROBOS-JTQLQIEISA-N 1 0 266.341 1.530 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cocn2)cc1 ZINC000832272255 728471190 /nfs/dbraw/zinc/47/11/90/728471190.db2.gz DCBQUXCYGCQAEY-GFCCVEGCSA-N 1 0 274.324 1.170 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN1CC2(C1)CCCO2 ZINC000862483127 728475510 /nfs/dbraw/zinc/47/55/10/728475510.db2.gz GYMVEIPPAVMQOI-UHFFFAOYSA-N 1 0 288.391 1.888 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2(CC(N)=O)CC2)cc1F ZINC000817411267 728509897 /nfs/dbraw/zinc/50/98/97/728509897.db2.gz OKCBOGDUCCRVEZ-UHFFFAOYSA-N 1 0 279.359 1.637 20 10 CDCDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1COCCO1 ZINC000827140891 728521766 /nfs/dbraw/zinc/52/17/66/728521766.db2.gz OBZPIMMMFBVMTJ-SNVBAGLBSA-N 1 0 271.744 1.893 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)c(F)c1 ZINC000814177625 728583560 /nfs/dbraw/zinc/58/35/60/728583560.db2.gz JBTWUEBJLLRJSV-UHFFFAOYSA-N 1 0 267.348 1.589 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000842010854 728997842 /nfs/dbraw/zinc/99/78/42/728997842.db2.gz OTLAGWOVUJXZCW-DGCLKSJQSA-N 1 0 277.368 1.661 20 10 CDCDRO COC(=O)COc1ccc(N(C)CC(C)(C)[NH3+])cc1 ZINC000843119600 729023985 /nfs/dbraw/zinc/02/39/85/729023985.db2.gz VGWJHCOJQSKDQI-UHFFFAOYSA-N 1 0 266.341 1.412 20 10 CDCDRO CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817946466 729031029 /nfs/dbraw/zinc/03/10/29/729031029.db2.gz XWEZIUIFKQRBEL-ZDUSSCGKSA-N 1 0 295.358 1.004 20 10 CDCDRO COCCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279833 729035808 /nfs/dbraw/zinc/03/58/08/729035808.db2.gz LCWUOMVLXIIJMU-OAHLLOKOSA-N 1 0 293.411 1.685 20 10 CDCDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)C2)cc(OC)n1 ZINC001015104227 729053585 /nfs/dbraw/zinc/05/35/85/729053585.db2.gz REKWMLRGSFSEKW-GFCCVEGCSA-N 1 0 293.367 1.311 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c(O)cc1C ZINC000840174846 729057947 /nfs/dbraw/zinc/05/79/47/729057947.db2.gz OLLXIFNVYVVZJZ-GFCCVEGCSA-N 1 0 292.379 1.619 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000876513839 729157844 /nfs/dbraw/zinc/15/78/44/729157844.db2.gz JGRAYVRBUWFADK-UHFFFAOYSA-N 1 0 289.379 1.690 20 10 CDCDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877037713 729176890 /nfs/dbraw/zinc/17/68/90/729176890.db2.gz WNABPUADVCAHNI-QGZVFWFLSA-N 1 0 292.423 1.754 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c(O)c1O ZINC000854651953 729183278 /nfs/dbraw/zinc/18/32/78/729183278.db2.gz FHFORBAAPKESIM-ZYHUDNBSSA-N 1 0 278.352 1.571 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000825338143 729267089 /nfs/dbraw/zinc/26/70/89/729267089.db2.gz MLVNHNDWGZAAKM-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO COc1ccc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000844221920 729268855 /nfs/dbraw/zinc/26/88/55/729268855.db2.gz YNMGCSRVJUMINU-ZDUSSCGKSA-N 1 0 293.386 1.566 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1 ZINC000782388021 729276141 /nfs/dbraw/zinc/27/61/41/729276141.db2.gz DOASGRIZZQONLW-INIZCTEOSA-N 1 0 278.396 1.630 20 10 CDCDRO COC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000112960553 729285383 /nfs/dbraw/zinc/28/53/83/729285383.db2.gz ITJHTUUHGVATMA-NSHDSACASA-N 1 0 279.336 1.979 20 10 CDCDRO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000846860908 729289937 /nfs/dbraw/zinc/28/99/37/729289937.db2.gz NIWJVNSJLJLBSA-GXTWGEPZSA-N 1 0 275.396 1.929 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2COC[C@@H]2C)c1 ZINC000922641587 729307921 /nfs/dbraw/zinc/30/79/21/729307921.db2.gz PCHRTVNFHYWRII-GWCFXTLKSA-N 1 0 251.326 1.915 20 10 CDCDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000269011196 729343667 /nfs/dbraw/zinc/34/36/67/729343667.db2.gz MXZOMBMMPKSTRY-KBPBESRZSA-N 1 0 278.396 1.945 20 10 CDCDRO CCOc1cccc(C[NH2+]CCC[S@@](C)=O)c1O ZINC000116919712 729357192 /nfs/dbraw/zinc/35/71/92/729357192.db2.gz ICWZGHIZQPHMJS-SFHVURJKSA-N 1 0 271.382 1.649 20 10 CDCDRO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841651921 729363566 /nfs/dbraw/zinc/36/35/66/729363566.db2.gz CFJKJTOBUJLPAY-CQSZACIVSA-N 1 0 292.427 1.925 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000846155659 729373726 /nfs/dbraw/zinc/37/37/26/729373726.db2.gz BODYRMWFVGADEE-YGRLFVJLSA-N 1 0 267.325 1.203 20 10 CDCDRO C[NH+](C)CCn1cc(COc2ccc(N)cc2)nn1 ZINC000864623457 729374805 /nfs/dbraw/zinc/37/48/05/729374805.db2.gz KPLFOZVHNKSGSN-UHFFFAOYSA-N 1 0 261.329 1.001 20 10 CDCDRO CN(CCC[NH+]1CCCC1)C(=O)c1c(F)ccc(O)c1O ZINC000839754721 729381048 /nfs/dbraw/zinc/38/10/48/729381048.db2.gz VFEOHTGDXQWMPW-UHFFFAOYSA-N 1 0 296.342 1.795 20 10 CDCDRO C[C@H]1CC2(CN1C(=O)Cc1ccc(N)cc1)CC[NH2+]CC2 ZINC000842514621 729389796 /nfs/dbraw/zinc/38/97/96/729389796.db2.gz GEHWQSKTABDIHW-ZDUSSCGKSA-N 1 0 287.407 1.802 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000839195595 729453108 /nfs/dbraw/zinc/45/31/08/729453108.db2.gz LGPRAEVZJVIZDH-VIFPVBQESA-N 1 0 298.770 1.670 20 10 CDCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134137001 729454910 /nfs/dbraw/zinc/45/49/10/729454910.db2.gz IEOXVMKZNNPSNI-LBPRGKRZSA-N 1 0 296.798 1.952 20 10 CDCDRO CC[C@@H](C)OCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267656 729461572 /nfs/dbraw/zinc/46/15/72/729461572.db2.gz YNJRKYWMAKQIDY-DOMZBBRYSA-N 1 0 293.411 1.684 20 10 CDCDRO OCCC[NH2+]Cc1c(O)cccc1Br ZINC000706821927 729468643 /nfs/dbraw/zinc/46/86/43/729468643.db2.gz UFTAGHOXUXDJIX-UHFFFAOYSA-N 1 0 260.131 1.627 20 10 CDCDRO CN1CCCc2cc(CNC(=O)NCC(C)(C)[NH3+])ccc21 ZINC000841760879 729523770 /nfs/dbraw/zinc/52/37/70/729523770.db2.gz ZAZNUSCMWUFTIS-UHFFFAOYSA-N 1 0 290.411 1.606 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@H](CO)OC[C@H]2C)cc1C ZINC000305747151 729544573 /nfs/dbraw/zinc/54/45/73/729544573.db2.gz RUCRFHJVXFUUDU-TZMCWYRMSA-N 1 0 265.353 1.591 20 10 CDCDRO COc1ccc(N2CCN(C[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000844267335 729562366 /nfs/dbraw/zinc/56/23/66/729562366.db2.gz BRBAMNRTGYZPED-MRXNPFEDSA-N 1 0 289.423 1.911 20 10 CDCDRO CCN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882663324 729595851 /nfs/dbraw/zinc/59/58/51/729595851.db2.gz VFJFJTIADHLLDZ-UHFFFAOYSA-N 1 0 290.411 1.600 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCNC(=O)CC2)c1 ZINC000828682121 729641320 /nfs/dbraw/zinc/64/13/20/729641320.db2.gz IRKYPAPFQJLGFI-NWDGAFQWSA-N 1 0 292.379 1.968 20 10 CDCDRO NC(=O)CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000817585240 729659875 /nfs/dbraw/zinc/65/98/75/729659875.db2.gz DGPBWORCJXMAHP-LLVKDONJSA-N 1 0 260.337 1.625 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000115489525 729668798 /nfs/dbraw/zinc/66/87/98/729668798.db2.gz BPOXTQOBTNFGKA-HNNXBMFYSA-N 1 0 275.396 1.771 20 10 CDCDRO CC[NH2+]CCNC(=O)NCCCSc1nccs1 ZINC000841858238 729687468 /nfs/dbraw/zinc/68/74/68/729687468.db2.gz VJIJHCDVFGWKCJ-UHFFFAOYSA-N 1 0 288.442 1.534 20 10 CDCDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000828015723 729710777 /nfs/dbraw/zinc/71/07/77/729710777.db2.gz LDGANTIXLXVMIE-DOMZBBRYSA-N 1 0 262.353 1.916 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1=O ZINC000922639133 729733533 /nfs/dbraw/zinc/73/35/33/729733533.db2.gz IJHUDIJTHTXAAQ-CQSZACIVSA-N 1 0 293.386 1.992 20 10 CDCDRO Oc1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)[NH2+]3)OCO2 ZINC000873217429 729738095 /nfs/dbraw/zinc/73/80/95/729738095.db2.gz MGGZXTKXLHMFPN-PHIMTYICSA-N 1 0 262.309 1.057 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883403212 729743233 /nfs/dbraw/zinc/74/32/33/729743233.db2.gz MXMKYZDHKLOPLG-GFCCVEGCSA-N 1 0 290.363 1.501 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000825196477 729753006 /nfs/dbraw/zinc/75/30/06/729753006.db2.gz HEJXPDGVUYECDQ-CHWSQXEVSA-N 1 0 251.326 1.594 20 10 CDCDRO COc1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)c(O)c1 ZINC000832177792 729793591 /nfs/dbraw/zinc/79/35/91/729793591.db2.gz GQDUXXQWSRGZNU-CQSZACIVSA-N 1 0 264.325 1.017 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1O ZINC000832012048 729802414 /nfs/dbraw/zinc/80/24/14/729802414.db2.gz KKYVLWBADNTMCC-HUUCEWRRSA-N 1 0 264.369 1.253 20 10 CDCDRO OC[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000921994050 729802883 /nfs/dbraw/zinc/80/28/83/729802883.db2.gz OTRWOYNTCMORGN-HNNXBMFYSA-N 1 0 263.337 1.253 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCc2ccn(C)n2)cc1 ZINC000230881362 729811887 /nfs/dbraw/zinc/81/18/87/729811887.db2.gz KRXOEFLYOVLZQD-UHFFFAOYSA-N 1 0 258.369 1.818 20 10 CDCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869079 729814954 /nfs/dbraw/zinc/81/49/54/729814954.db2.gz UCWQOMUAXSHDIZ-HNNXBMFYSA-N 1 0 291.395 1.001 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000079927446 729828378 /nfs/dbraw/zinc/82/83/78/729828378.db2.gz DFIDABGVKULCFD-AAEUAGOBSA-N 1 0 261.369 1.682 20 10 CDCDRO COc1cc(Cl)cc(CNC[C@@H]([NH3+])C2CC2)c1O ZINC000841048612 729828932 /nfs/dbraw/zinc/82/89/32/729828932.db2.gz FROAALFGLQZRCV-LLVKDONJSA-N 1 0 270.760 1.881 20 10 CDCDRO COc1cc(N(C)CCOCC[NH3+])cc(OC)c1OC ZINC000843359148 729833498 /nfs/dbraw/zinc/83/34/98/729833498.db2.gz YTWDWBPRENOYNZ-UHFFFAOYSA-N 1 0 284.356 1.124 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3OCC[C@@H]3C1)[C@H](O)CO2 ZINC000842624673 729847117 /nfs/dbraw/zinc/84/71/17/729847117.db2.gz GLKGBWJNEHJZPV-KMUNFCNLSA-N 1 0 291.347 1.429 20 10 CDCDRO Cc1cc(C[NH+]2CCC(O)(CO)CC2)ccc1N(C)C ZINC000852500131 729847266 /nfs/dbraw/zinc/84/72/66/729847266.db2.gz IBIOFMGXYPTYGZ-UHFFFAOYSA-N 1 0 278.396 1.380 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(CO)CCC2)c1 ZINC000183232727 729865299 /nfs/dbraw/zinc/86/52/99/729865299.db2.gz NXODQVUBQSKNPS-UHFFFAOYSA-N 1 0 251.326 1.653 20 10 CDCDRO CCOC[C@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819373928 729869465 /nfs/dbraw/zinc/86/94/65/729869465.db2.gz DZPNLZNWSGDIQU-RHSMWYFYSA-N 1 0 294.439 1.979 20 10 CDCDRO COc1c(O)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843064313 729889106 /nfs/dbraw/zinc/88/91/06/729889106.db2.gz CCGSVENZRGBPLT-AOOOYVTPSA-N 1 0 295.339 1.491 20 10 CDCDRO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(O)c1O ZINC000793956882 729911836 /nfs/dbraw/zinc/91/18/36/729911836.db2.gz QCBDUXRAWQZKJQ-NEPJUHHUSA-N 1 0 290.363 1.430 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(O)(CO)CC1 ZINC000827139410 729916891 /nfs/dbraw/zinc/91/68/91/729916891.db2.gz ARDBJWBCRWDRAZ-UHFFFAOYSA-N 1 0 278.396 1.380 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCN1CCC(O)CC1 ZINC000876966916 729928061 /nfs/dbraw/zinc/92/80/61/729928061.db2.gz ZEPZLDAYUVVWBW-UHFFFAOYSA-N 1 0 278.396 1.637 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCCOC1 ZINC000883184366 729956682 /nfs/dbraw/zinc/95/66/82/729956682.db2.gz VELQAHMLPHWUOM-KBPBESRZSA-N 1 0 265.353 1.923 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802660238 729979190 /nfs/dbraw/zinc/97/91/90/729979190.db2.gz FVMLIHNDWUPOMK-ZDUSSCGKSA-N 1 0 255.289 1.307 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)C2CC([NH3+])C2)cc1F ZINC000841761252 729980770 /nfs/dbraw/zinc/98/07/70/729980770.db2.gz OHRCZDFUUDWNPU-UHFFFAOYSA-N 1 0 294.374 1.523 20 10 CDCDRO C[S@@](=O)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000116918447 730002271 /nfs/dbraw/zinc/00/22/71/730002271.db2.gz PZBCLGQMWBDRSL-INIZCTEOSA-N 1 0 261.774 1.904 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000858543452 730002704 /nfs/dbraw/zinc/00/27/04/730002704.db2.gz JAEVMPDZCKQXCQ-MXWKQRLJSA-N 1 0 251.326 1.822 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH3+])cc1F ZINC000841758715 730004228 /nfs/dbraw/zinc/00/42/28/730004228.db2.gz CWPYYFBDKPBHPX-GFCCVEGCSA-N 1 0 294.374 1.524 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000132585577 730023727 /nfs/dbraw/zinc/02/37/27/730023727.db2.gz SPJOQADTPRTVCZ-DOMZBBRYSA-N 1 0 263.385 1.301 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000793229695 730030238 /nfs/dbraw/zinc/03/02/38/730030238.db2.gz BSEGDKCSHJQJRO-WBMJQRKESA-N 1 0 293.363 1.781 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH3+] ZINC000843485584 730049883 /nfs/dbraw/zinc/04/98/83/730049883.db2.gz MPUWLMMDPXNZIP-GFCCVEGCSA-N 1 0 263.385 1.837 20 10 CDCDRO c1cc(N2CCCC2)ccc1CN[C@H]1C[NH2+]CCOC1 ZINC000925545094 730052609 /nfs/dbraw/zinc/05/26/09/730052609.db2.gz XCLMXCRZWWRLIL-HNNXBMFYSA-N 1 0 275.396 1.365 20 10 CDCDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817955221 730052999 /nfs/dbraw/zinc/05/29/99/730052999.db2.gz SVFLWUDVEUJKET-MNOVXSKESA-N 1 0 279.340 1.951 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1F ZINC000858294576 730059245 /nfs/dbraw/zinc/05/92/45/730059245.db2.gz ITPKQUKYTIBBQN-JGZJWPJOSA-N 1 0 270.323 1.891 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000322675411 730077527 /nfs/dbraw/zinc/07/75/27/730077527.db2.gz GUPOLWANQMXJEZ-NSHDSACASA-N 1 0 250.342 1.618 20 10 CDCDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304283901 730315175 /nfs/dbraw/zinc/31/51/75/730315175.db2.gz KYVAEHVOQUTOKP-GFCCVEGCSA-N 1 0 282.359 1.523 20 10 CDCDRO CC[NH+](CC)CCCOC(=O)c1cccc(O)c1O ZINC000800203580 730341842 /nfs/dbraw/zinc/34/18/42/730341842.db2.gz PEIQGZSXYQVUKF-UHFFFAOYSA-N 1 0 267.325 1.987 20 10 CDCDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(N)cc2)CCSC1 ZINC000841299935 730348005 /nfs/dbraw/zinc/34/80/05/730348005.db2.gz MGGXRUAZTWVYRF-AWEZNQCLSA-N 1 0 294.424 1.828 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(O)(CO)CC2)c1O ZINC000827140929 730352972 /nfs/dbraw/zinc/35/29/72/730352972.db2.gz OYJFGOIAFIUKSH-UHFFFAOYSA-N 1 0 265.353 1.274 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1 ZINC000380911599 730382206 /nfs/dbraw/zinc/38/22/06/730382206.db2.gz WBRBZCGQPAAMJE-ZYHUDNBSSA-N 1 0 269.366 1.366 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000076275568 730383214 /nfs/dbraw/zinc/38/32/14/730383214.db2.gz GKFCPTKWXNBEQA-QGZVFWFLSA-N 1 0 290.407 1.916 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000858580677 730390787 /nfs/dbraw/zinc/39/07/87/730390787.db2.gz UEKJBDGYIDANIV-GXSJLCMTSA-N 1 0 264.325 1.377 20 10 CDCDRO C[NH+](C)CCn1cc(C(=O)NCc2ccccc2O)cn1 ZINC000866755510 1164818817 /nfs/dbraw/zinc/81/88/17/1164818817.db2.gz KMYKAUAFDHMYNW-UHFFFAOYSA-N 1 0 288.351 1.080 20 10 CDCDRO C[NH+](C)CCn1cc(Nc2cccc(O)c2O)cn1 ZINC001176447889 914117517 /nfs/dbraw/zinc/11/75/17/914117517.db2.gz YOMGHVRNMZNKHO-UHFFFAOYSA-N 1 0 262.313 1.600 20 10 CDCDRO CCOCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172411343 911640250 /nfs/dbraw/zinc/64/02/50/911640250.db2.gz ODAQEDKICMYVAO-JTQLQIEISA-N 1 0 269.341 1.751 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(CC)C2=O)c1 ZINC000922638871 921718427 /nfs/dbraw/zinc/71/84/27/921718427.db2.gz GWTVJVXSXXLJLJ-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO Cc1cc(C)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206431717 916631548 /nfs/dbraw/zinc/63/15/48/916631548.db2.gz AONIITNOXSSTRW-RYUDHWBXSA-N 1 0 252.333 1.880 20 10 CDCDRO Cc1cc(C)c(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c1 ZINC001206431713 916632048 /nfs/dbraw/zinc/63/20/48/916632048.db2.gz AONIITNOXSSTRW-NEPJUHHUSA-N 1 0 252.333 1.880 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204281867 916641912 /nfs/dbraw/zinc/64/19/12/916641912.db2.gz YHNQSEOCZLZXSK-UHTWSYAYSA-N 1 0 291.347 1.871 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([NH3+])CCC2)c1 ZINC000828666460 936382978 /nfs/dbraw/zinc/38/29/78/936382978.db2.gz DLWHCRCVMHLMTJ-SECBINFHSA-N 1 0 264.325 1.459 20 10 CDCDRO CCc1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(O)c1 ZINC001206445316 916928664 /nfs/dbraw/zinc/92/86/64/916928664.db2.gz OFUNXMCPJJYZQF-CHWSQXEVSA-N 1 0 252.333 1.826 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359120 936525727 /nfs/dbraw/zinc/52/57/27/936525727.db2.gz LHEQZQZVXGCOBX-MRXNPFEDSA-N 1 0 287.407 1.779 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@@H]3C(N)=O)ccc21 ZINC001138357477 936525952 /nfs/dbraw/zinc/52/59/52/936525952.db2.gz GFXUSDFOZZOEED-MRXNPFEDSA-N 1 0 287.407 1.909 20 10 CDCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495982 936543099 /nfs/dbraw/zinc/54/30/99/936543099.db2.gz LFMZXEIOCBLBMY-QGZVFWFLSA-N 1 0 290.407 1.728 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCc2cnccn2)cc1 ZINC000390219400 936651190 /nfs/dbraw/zinc/65/11/90/936651190.db2.gz PQRMLTDRNANOLE-UHFFFAOYSA-N 1 0 256.353 1.875 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001140056468 936675274 /nfs/dbraw/zinc/67/52/74/936675274.db2.gz YDHZHIGWLZPAKR-ZDUSSCGKSA-N 1 0 289.310 1.975 20 10 CDCDRO Oc1ccc(F)cc1C[N@H+]1CCc2nncn2CC1 ZINC001140063255 936675350 /nfs/dbraw/zinc/67/53/50/936675350.db2.gz OPYGNRXUANMQDY-UHFFFAOYSA-N 1 0 262.288 1.181 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC(C(=O)N(C)C)C2)c1O ZINC001140182223 936684870 /nfs/dbraw/zinc/68/48/70/936684870.db2.gz LDFUAHJKGJNRBP-UHFFFAOYSA-N 1 0 262.353 1.529 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342355 936703715 /nfs/dbraw/zinc/70/37/15/936703715.db2.gz GCACWYFRLIGNII-JTQLQIEISA-N 1 0 297.786 1.939 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1 ZINC001140619912 936731536 /nfs/dbraw/zinc/73/15/36/936731536.db2.gz UZDYHWZICKUQMT-CABCVRRESA-N 1 0 265.353 1.266 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1 ZINC001140619840 936731656 /nfs/dbraw/zinc/73/16/56/936731656.db2.gz RHVSPNGKUMDCNM-CQSZACIVSA-N 1 0 277.364 1.816 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1O ZINC001140742469 936748201 /nfs/dbraw/zinc/74/82/01/936748201.db2.gz PLEICSYOAADDQH-CMPLNLGQSA-N 1 0 255.289 1.311 20 10 CDCDRO Oc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c1 ZINC001141156585 936821707 /nfs/dbraw/zinc/82/17/07/936821707.db2.gz NXFXCUHOEGSVFL-WCQYABFASA-N 1 0 255.289 1.393 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)ccc21 ZINC001141141341 936818510 /nfs/dbraw/zinc/81/85/10/936818510.db2.gz XMHICCRIUSQJSA-CABCVRRESA-N 1 0 288.391 1.984 20 10 CDCDRO CN(CC[NH+](C)C)Cc1ccc2c(c1)OCCN2C ZINC001141139550 936818776 /nfs/dbraw/zinc/81/87/76/936818776.db2.gz WYKBPGNCGPQVQJ-UHFFFAOYSA-N 1 0 263.385 1.509 20 10 CDCDRO C[C@H](C[NH+](C)C)NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626550 923815966 /nfs/dbraw/zinc/81/59/66/923815966.db2.gz WNGHKKHLUIHZGR-SSDOTTSWSA-N 1 0 272.732 1.431 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000839648742 936918182 /nfs/dbraw/zinc/91/81/82/936918182.db2.gz DFLAXITWLZFKGM-GDBMZVCRSA-N 1 0 278.396 1.630 20 10 CDCDRO CS(=O)(=O)CCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000692838868 937235125 /nfs/dbraw/zinc/23/51/25/937235125.db2.gz NDOBCJKPRLKLFD-UHFFFAOYSA-N 1 0 283.393 1.536 20 10 CDCDRO CS(=O)(=O)C1CCC([NH2+]Cc2ccccc2O)CC1 ZINC001169851256 928470443 /nfs/dbraw/zinc/47/04/43/928470443.db2.gz FABGQTCOXNKEJR-UHFFFAOYSA-N 1 0 283.393 1.838 20 10 CDCDRO CCc1cccc(C[NH2+][C@@]2(CO)CCOC2)c1O ZINC000691434991 928621320 /nfs/dbraw/zinc/62/13/20/928621320.db2.gz MTYXJMUUKKDMFY-CQSZACIVSA-N 1 0 251.326 1.196 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)N(C)Cc1ccccc1O ZINC000857113870 928665994 /nfs/dbraw/zinc/66/59/94/928665994.db2.gz JTAAFLORGYZKGH-JTQLQIEISA-N 1 0 251.330 1.271 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000857304185 928693640 /nfs/dbraw/zinc/69/36/40/928693640.db2.gz XNIODYCCAJBGLW-VIFPVBQESA-N 1 0 296.342 1.840 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(CNC(=O)O3)CC2)c1 ZINC000783722201 937278786 /nfs/dbraw/zinc/27/87/86/937278786.db2.gz ZDLCZIYDXNZHTC-UHFFFAOYSA-N 1 0 292.335 1.475 20 10 CDCDRO CCc1cccc(C[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000691450876 928874366 /nfs/dbraw/zinc/87/43/66/928874366.db2.gz ZWELCPBFWBJMRE-GOSISDBHSA-N 1 0 267.394 1.955 20 10 CDCDRO Oc1ccc(CNc2nccc(C3C[NH2+]C3)n2)cc1O ZINC001169992633 928877912 /nfs/dbraw/zinc/87/79/12/928877912.db2.gz ISYQALQYZWJHRC-UHFFFAOYSA-N 1 0 272.308 1.187 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000135213608 930612659 /nfs/dbraw/zinc/61/26/59/930612659.db2.gz ZKNVKHWQELYFSB-PWSUYJOCSA-N 1 0 251.326 1.915 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CNCCO1)c1cc(F)ccc1O ZINC000817984170 930659245 /nfs/dbraw/zinc/65/92/45/930659245.db2.gz VRSXNSNVKIMKKC-GXSJLCMTSA-N 1 0 254.305 1.170 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001153886081 937480811 /nfs/dbraw/zinc/48/08/11/937480811.db2.gz VLYDKNVHNOBXCL-YPMHNXCESA-N 1 0 292.379 1.834 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2ccc(O)cc2O)CC(F)(F)C1 ZINC001206117056 931668505 /nfs/dbraw/zinc/66/85/05/931668505.db2.gz IJZKXBPTJHECFN-VIFPVBQESA-N 1 0 258.268 1.266 20 10 CDCDRO Oc1ccccc1C[NH+]1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001275267565 931718930 /nfs/dbraw/zinc/71/89/30/931718930.db2.gz RFRHQESBKDJJHA-UHFFFAOYSA-N 1 0 298.390 1.823 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCC3(CN(C)C3)C2)c1 ZINC001275279392 931722763 /nfs/dbraw/zinc/72/27/63/931722763.db2.gz ZFZVZLBREVAOOT-UHFFFAOYSA-N 1 0 276.380 1.928 20 10 CDCDRO CCOc1cccc(CN2C[C@H]([NH3+])CC(F)(F)C2)c1O ZINC001206117864 931761796 /nfs/dbraw/zinc/76/17/96/931761796.db2.gz XXSAJAWYNDOQGU-LLVKDONJSA-N 1 0 286.322 1.959 20 10 CDCDRO C[C@@H]1C[NH+](Cc2c(O)cc(O)cc2O)C[C@@H](C)O1 ZINC001144500384 931859561 /nfs/dbraw/zinc/85/95/61/931859561.db2.gz SVBDYYCCONGPMO-RKDXNWHRSA-N 1 0 253.298 1.413 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001144500451 931860477 /nfs/dbraw/zinc/86/04/77/931860477.db2.gz UCVGBWBFJURQBX-ZUZCIYMTSA-N 1 0 279.336 1.804 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(O)c1 ZINC001144509402 931876236 /nfs/dbraw/zinc/87/62/36/931876236.db2.gz VTPSFLTZPFBPME-DKCNOQQISA-N 1 0 253.273 1.736 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@]3(CCO3)C2)c(O)c1 ZINC001144514819 931877003 /nfs/dbraw/zinc/87/70/03/931877003.db2.gz TWMSMPQTCTVDGY-AWEZNQCLSA-N 1 0 265.309 1.558 20 10 CDCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515362 931879177 /nfs/dbraw/zinc/87/91/77/931879177.db2.gz LCRDSVRMVDJVCR-UHFFFAOYSA-N 1 0 288.303 1.462 20 10 CDCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(O)cc(O)cc2O)C1 ZINC001144516206 931881183 /nfs/dbraw/zinc/88/11/83/931881183.db2.gz SZUVQHZJNZMTFB-NSHDSACASA-N 1 0 294.351 1.246 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1O ZINC000846148337 931981317 /nfs/dbraw/zinc/98/13/17/931981317.db2.gz ZRESAWRHUPLLIJ-ZJUUUORDSA-N 1 0 276.340 1.941 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000846139533 931985471 /nfs/dbraw/zinc/98/54/71/931985471.db2.gz UVMMOBUQUBIDNN-ZYHUDNBSSA-N 1 0 278.352 1.720 20 10 CDCDRO CCCNC(=O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846139025 931985528 /nfs/dbraw/zinc/98/55/28/931985528.db2.gz ZVIYWVHVQIIGJJ-JTQLQIEISA-N 1 0 266.341 1.578 20 10 CDCDRO CC[C@@]1(C(=O)NCc2ccc(OC)cc2O)CC[NH2+]C1 ZINC001118201573 937601893 /nfs/dbraw/zinc/60/18/93/937601893.db2.gz ZHQWJHWVFIAIIX-OAHLLOKOSA-N 1 0 278.352 1.407 20 10 CDCDRO Cc1c(O)ccc(CN2CC3(C2)CC[N@@H+](C)C3)c1O ZINC001276111981 932532957 /nfs/dbraw/zinc/53/29/57/932532957.db2.gz DPARXBHXBQCUIO-UHFFFAOYSA-N 1 0 262.353 1.544 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CCC(OCCO)CC2)c1O ZINC001119507667 937726368 /nfs/dbraw/zinc/72/63/68/937726368.db2.gz OWSVMCUVJDBRQC-UHFFFAOYSA-N 1 0 295.379 1.683 20 10 CDCDRO OCC[NH2+]C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000686281339 934029226 /nfs/dbraw/zinc/02/92/26/934029226.db2.gz FPWCECFBIMJKOK-UHFFFAOYSA-N 1 0 284.787 1.592 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+](C3CC3)CC2)cc1OC ZINC000160062923 934415153 /nfs/dbraw/zinc/41/51/53/934415153.db2.gz BUSRUBMVLJVEMN-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(N)cc1 ZINC001120591982 937815023 /nfs/dbraw/zinc/81/50/23/937815023.db2.gz OAMNYIBMNOGGOC-UHFFFAOYSA-N 1 0 292.427 1.998 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)OC)cc1C ZINC001124293283 936305426 /nfs/dbraw/zinc/30/54/26/936305426.db2.gz QTFIZBGLNZTERI-LBPRGKRZSA-N 1 0 280.368 1.244 20 10 CDCDRO O=C(CNc1ccc2c(n1)CC[NH2+]C2)c1ccc(O)c(O)c1 ZINC001159275950 938716710 /nfs/dbraw/zinc/71/67/10/938716710.db2.gz BQUOZXXALRTTQG-UHFFFAOYSA-N 1 0 299.330 1.433 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)cc1 ZINC001160971312 938852808 /nfs/dbraw/zinc/85/28/08/938852808.db2.gz FPPFDHGEXMQMGP-NSHDSACASA-N 1 0 269.295 1.006 20 10 CDCDRO Cc1cnc(NCc2ccc(N)cc2)nc1C1C[NH2+]C1 ZINC001162790097 939140166 /nfs/dbraw/zinc/14/01/66/939140166.db2.gz QQGDOZFBLRBBIE-UHFFFAOYSA-N 1 0 269.352 1.666 20 10 CDCDRO COc1cc(OC(F)(F)F)ccc1N(CC[NH3+])CCO ZINC001163836260 939339438 /nfs/dbraw/zinc/33/94/38/939339438.db2.gz QPYJGWINHUSOBV-UHFFFAOYSA-N 1 0 294.273 1.351 20 10 CDCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001203550271 939692922 /nfs/dbraw/zinc/69/29/22/939692922.db2.gz PEFFGRWLGONJIY-WFASDCNBSA-N 1 0 277.320 1.014 20 10 CDCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccccc3O)CC[C@@H]21 ZINC001203562927 939693065 /nfs/dbraw/zinc/69/30/65/939693065.db2.gz PLWNFWQAOONSHH-OCCSQVGLSA-N 1 0 274.364 1.835 20 10 CDCDRO COc1cccc(CN2CCC(=O)[C@@H](F)CC2)c1O ZINC001203585488 939694157 /nfs/dbraw/zinc/69/41/57/939694157.db2.gz NXXLNSULEQEWNP-NSHDSACASA-N 1 0 267.300 1.904 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1O ZINC001203584615 939694360 /nfs/dbraw/zinc/69/43/60/939694360.db2.gz DZSIGQUJCQVPEY-CMPLNLGQSA-N 1 0 269.316 1.553 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c1O ZINC001203590230 939694828 /nfs/dbraw/zinc/69/48/28/939694828.db2.gz UZPUITNESVLKFA-IAQYHMDHSA-N 1 0 265.353 1.994 20 10 CDCDRO CCOc1cccc(C[NH+]2CC(C3COC3)C2)c1O ZINC001203602214 939696009 /nfs/dbraw/zinc/69/60/09/939696009.db2.gz IYUUIAVFXDIPQG-UHFFFAOYSA-N 1 0 263.337 1.869 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c(O)c1 ZINC001203620954 939697395 /nfs/dbraw/zinc/69/73/95/939697395.db2.gz KVXZTAXADHVLLS-CMPLNLGQSA-N 1 0 269.316 1.553 20 10 CDCDRO COc1ccc(C[N@H+](C)Cc2ccncn2)c(O)c1 ZINC001203635466 939698913 /nfs/dbraw/zinc/69/89/13/939698913.db2.gz WQKDXHJHRFYCAZ-UHFFFAOYSA-N 1 0 259.309 1.823 20 10 CDCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203650783 939699711 /nfs/dbraw/zinc/69/97/11/939699711.db2.gz BVBKZAYNKFMAIL-AWEZNQCLSA-N 1 0 280.755 1.758 20 10 CDCDRO CCC1(O)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882047 939711323 /nfs/dbraw/zinc/71/13/23/939711323.db2.gz DMKSJAUVMBLZDB-UHFFFAOYSA-N 1 0 251.326 1.835 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)CO)c2ccccc21 ZINC001204234996 939745622 /nfs/dbraw/zinc/74/56/22/939745622.db2.gz BXHGUJNJZZNWGS-AWEZNQCLSA-N 1 0 288.391 1.691 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328560 939756334 /nfs/dbraw/zinc/75/63/34/939756334.db2.gz JINOYWXKHZQEME-INIZCTEOSA-N 1 0 287.407 1.997 20 10 CDCDRO COCC[N@H+](Cc1cc(O)c(O)c(OC)c1)C(C)C ZINC001204341383 939757540 /nfs/dbraw/zinc/75/75/40/939757540.db2.gz BCWSOYWKUGQHLE-UHFFFAOYSA-N 1 0 269.341 1.963 20 10 CDCDRO COc1cc(CN2CCC[C@@H](C(C)=O)C2)cc(O)c1O ZINC001204346607 939759458 /nfs/dbraw/zinc/75/94/58/939759458.db2.gz VEIQUIFDWOPGNR-GFCCVEGCSA-N 1 0 279.336 1.907 20 10 CDCDRO COc1cc(O)c(CN2[C@@H](C)CC[C@H]2C[NH3+])c(OC)c1 ZINC001205076139 939820530 /nfs/dbraw/zinc/82/05/30/939820530.db2.gz PIXLDEIWIYTLLJ-QWRGUYRKSA-N 1 0 280.368 1.721 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC[C@H]1C[NH3+] ZINC001205626777 939910414 /nfs/dbraw/zinc/91/04/14/939910414.db2.gz JBSJGITYMQUKND-AAEUAGOBSA-N 1 0 292.379 1.897 20 10 CDCDRO COc1ncc(CN2CCc3cccc(O)c3C2)cn1 ZINC001206427191 940037986 /nfs/dbraw/zinc/03/79/86/940037986.db2.gz ZNGBDMOQRXXNPH-UHFFFAOYSA-N 1 0 271.320 1.749 20 10 CDCDRO CC[NH+]1CCN(c2ccc(O[C@H]3C[C@H](O)C3)cc2)CC1 ZINC001218366956 941210343 /nfs/dbraw/zinc/21/03/43/941210343.db2.gz QBHYYLZBBLZIPB-KOMQPUFPSA-N 1 0 276.380 1.731 20 10 CDCDRO N[C@H](C[NH3+])c1ccc(C(=O)NCc2ccccc2O)cc1 ZINC001219923502 941396526 /nfs/dbraw/zinc/39/65/26/941396526.db2.gz PENWAUADEYBQIV-CQSZACIVSA-N 1 0 285.347 1.281 20 10 CDCDRO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC001219923640 941397334 /nfs/dbraw/zinc/39/73/34/941397334.db2.gz VHXTULUVLWYFGD-ZWNOBZJWSA-N 1 0 280.368 1.539 20 10 CDCDRO NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001276914112 941693566 /nfs/dbraw/zinc/69/35/66/941693566.db2.gz NJJUCTSQAWTTMM-NSHDSACASA-N 1 0 276.336 1.185 20 10 CDCDRO C[NH+](C)C1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226465699 942010150 /nfs/dbraw/zinc/01/01/50/942010150.db2.gz WRTFIDCVPJOOAS-UHFFFAOYSA-N 1 0 299.323 1.466 20 10 CDCDRO Cc1cccc(CN2CCOC[C@H]2C[NH+](C)C)c1O ZINC001231594133 942939239 /nfs/dbraw/zinc/93/92/39/942939239.db2.gz SZNAHUCOXSMQNQ-CQSZACIVSA-N 1 0 264.369 1.463 20 10 CDCDRO Cc1cccc(C[NH+]2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c1O ZINC001231594878 942939450 /nfs/dbraw/zinc/93/94/50/942939450.db2.gz LUOWSSRWMOZORF-OKILXGFUSA-N 1 0 290.407 1.994 20 10 CDCDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)cc1O ZINC001231636464 942952005 /nfs/dbraw/zinc/95/20/05/942952005.db2.gz WHLHOGGRTDCHCM-CYBMUJFWSA-N 1 0 292.379 1.777 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001231842828 943026169 /nfs/dbraw/zinc/02/61/69/943026169.db2.gz PZZUAYFOKBQHAJ-GXTWGEPZSA-N 1 0 265.353 1.184 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001231845589 943026281 /nfs/dbraw/zinc/02/62/81/943026281.db2.gz BTYGFLGBEUETJZ-UHFFFAOYSA-N 1 0 262.353 1.529 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001231848107 943028596 /nfs/dbraw/zinc/02/85/96/943028596.db2.gz GQQICMHIIYUJHU-CYBMUJFWSA-N 1 0 291.395 1.459 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@H+](C)CCC1OCCO1 ZINC001231854271 943032161 /nfs/dbraw/zinc/03/21/61/943032161.db2.gz DRBFORUBVUYALO-UHFFFAOYSA-N 1 0 294.395 1.956 20 10 CDCDRO C[C@@]1(O)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259568 943193194 /nfs/dbraw/zinc/19/31/94/943193194.db2.gz LGJORYJDGUNHHL-GFCCVEGCSA-N 1 0 257.717 1.708 20 10 CDCDRO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1cc(O)ccc1O)C2 ZINC001277656552 943250411 /nfs/dbraw/zinc/25/04/11/943250411.db2.gz FVJOYIVNWKWHSY-GFCCVEGCSA-N 1 0 276.336 1.008 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001232836608 943414263 /nfs/dbraw/zinc/41/42/63/943414263.db2.gz RINBNQOKZBKNPC-HZPDHXFCSA-N 1 0 294.395 1.023 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001232835475 943414693 /nfs/dbraw/zinc/41/46/93/943414693.db2.gz CTEMSWPEWBIPSS-HZPDHXFCSA-N 1 0 294.395 1.023 20 10 CDCDRO CC(=O)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485623 943594082 /nfs/dbraw/zinc/59/40/82/943594082.db2.gz DJEPBVJSTRZYRA-UHFFFAOYSA-N 1 0 265.309 1.604 20 10 CDCDRO CC(C)[C@@H]1CN(Cc2cc(F)ccc2O)CC[NH2+]1 ZINC001235471189 944167618 /nfs/dbraw/zinc/16/76/18/944167618.db2.gz HWUTYDNKUPHNRC-ZDUSSCGKSA-N 1 0 252.333 1.961 20 10 CDCDRO CCOc1cccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235983376 944347600 /nfs/dbraw/zinc/34/76/00/944347600.db2.gz ZNHPIUFZDKPCJT-SWLSCSKDSA-N 1 0 262.353 1.714 20 10 CDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC001235990643 944355411 /nfs/dbraw/zinc/35/54/11/944355411.db2.gz KLSVDTCGSWCFDV-NOZJJQNGSA-N 1 0 252.745 1.969 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235994786 944361179 /nfs/dbraw/zinc/36/11/79/944361179.db2.gz UMGWELCEWPGATQ-YGRLFVJLSA-N 1 0 282.771 1.977 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236281254 944442295 /nfs/dbraw/zinc/44/22/95/944442295.db2.gz AORVBPBRSIAKCD-GDBMZVCRSA-N 1 0 259.397 1.936 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CO)cc1OC ZINC001236751059 944557770 /nfs/dbraw/zinc/55/77/70/944557770.db2.gz OTFUQWNILJPLDN-GFCCVEGCSA-N 1 0 281.352 1.756 20 10 CDCDRO CCc1ccc(C[NH+]2CCC(NC(N)=O)CC2)c(O)c1 ZINC001236782897 944566140 /nfs/dbraw/zinc/56/61/40/944566140.db2.gz GPWPIBULIHVJGU-UHFFFAOYSA-N 1 0 277.368 1.587 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC001236804812 944573985 /nfs/dbraw/zinc/57/39/85/944573985.db2.gz UBJMPBJLXDSXOB-VIFPVBQESA-N 1 0 298.770 1.752 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC001236810085 944575058 /nfs/dbraw/zinc/57/50/58/944575058.db2.gz BMGSLDOBHMBYCR-GFCCVEGCSA-N 1 0 264.369 1.845 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2cncnc2)CC1 ZINC001237492434 944813073 /nfs/dbraw/zinc/81/30/73/944813073.db2.gz PVOGIERKBBOSGE-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001237487427 944813094 /nfs/dbraw/zinc/81/30/94/944813094.db2.gz ITYMALNVDAZJSK-HNNXBMFYSA-N 1 0 276.336 1.775 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(CCC(C)(C)O)CC1 ZINC001237495300 944818266 /nfs/dbraw/zinc/81/82/66/944818266.db2.gz PAIOVJJZUCBNBL-UHFFFAOYSA-N 1 0 292.423 1.979 20 10 CDCDRO [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@@H](CO)C1 ZINC001237938042 945011988 /nfs/dbraw/zinc/01/19/88/945011988.db2.gz XBCGGDRVFRYMLC-MRVPVSSYSA-N 1 0 259.708 1.999 20 10 CDCDRO Cn1ccc(-c2cncc([C@H]3C[NH+]4CCC3CC4)n2)cc1=O ZINC001240983472 946127038 /nfs/dbraw/zinc/12/70/38/946127038.db2.gz KBBVSGGXXWMOQK-AWEZNQCLSA-N 1 0 296.374 1.652 20 10 CDCDRO Nc1ccc(C[N@H+](CCO)CCOCC(F)(F)F)cc1 ZINC001262488193 946682165 /nfs/dbraw/zinc/68/21/65/946682165.db2.gz TZQPHSMMRZISKF-UHFFFAOYSA-N 1 0 292.301 1.642 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2C[C@H](C[NH3+])C2)c1 ZINC001262600562 946755486 /nfs/dbraw/zinc/75/54/86/946755486.db2.gz GESTVTJNPFINSN-GMTAPVOTSA-N 1 0 293.367 1.498 20 10 CDCDRO Fc1cc(C2=CC[NH2+]C2)cc(F)c1N1CCOCC1 ZINC001243110512 947020937 /nfs/dbraw/zinc/02/09/37/947020937.db2.gz ALWLPBHVMPUMJC-UHFFFAOYSA-N 1 0 266.291 1.788 20 10 CDCDRO CCOC(=O)CC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258473891 948863965 /nfs/dbraw/zinc/86/39/65/948863965.db2.gz YPBNKQZAXFPTPT-HZMBPMFUSA-N 1 0 297.351 1.453 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001249201236 949451798 /nfs/dbraw/zinc/45/17/98/949451798.db2.gz LPFLVKUDEPBDSP-UHFFFAOYSA-N 1 0 291.347 1.473 20 10 CDCDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249208229 949461141 /nfs/dbraw/zinc/46/11/41/949461141.db2.gz QMPUMRLVFQMDAZ-AWEZNQCLSA-N 1 0 293.363 1.719 20 10 CDCDRO CCOc1ccc(O)c(CN2CC(NC(=O)OC)C2)c1 ZINC001325502208 953935316 /nfs/dbraw/zinc/93/53/16/953935316.db2.gz NOOUXVQYDIDXFE-UHFFFAOYSA-N 1 0 280.324 1.331 20 10 CDCDRO CCN(C)c1ccc(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)cc1 ZINC001307977670 956453915 /nfs/dbraw/zinc/45/39/15/956453915.db2.gz WAMSDILKCYKXMM-ZFWWWQNUSA-N 1 0 274.364 1.748 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@]1(O)CCN(C)C1 ZINC001320514176 959216413 /nfs/dbraw/zinc/21/64/13/959216413.db2.gz OSSWJTQQXMPPEV-IIYDPXPESA-N 1 0 290.407 1.905 20 10 CDCDRO O=C(/C=C\c1ccc(O)c(O)c1)NCC[NH+]1CC=CC1 ZINC001320757182 959372779 /nfs/dbraw/zinc/37/27/79/959372779.db2.gz SROYRVBUSPKWCU-XQRVVYSFSA-N 1 0 274.320 1.099 20 10 CDCDRO CCN(C(=O)NCc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001336289932 960289141 /nfs/dbraw/zinc/28/91/41/960289141.db2.gz DOKSXRRCWCIDQP-ZDUSSCGKSA-N 1 0 262.357 1.162 20 10 CDCDRO CSCC[C@H]([NH3+])CC(=O)N(C)Cc1ccccc1O ZINC001339973594 962658553 /nfs/dbraw/zinc/65/85/53/962658553.db2.gz DVOVAYGYIQGEOL-LBPRGKRZSA-N 1 0 282.409 1.821 20 10 CDCDRO CCc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)[nH]n1 ZINC001342946101 963869180 /nfs/dbraw/zinc/86/91/80/963869180.db2.gz CVVSVZKFMGQACC-UHFFFAOYSA-N 1 0 291.351 1.985 20 10 CDCDRO Nc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC001346209785 964988814 /nfs/dbraw/zinc/98/88/14/964988814.db2.gz LPRRCNQXIQVQCL-CYBMUJFWSA-N 1 0 259.353 1.275 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1 ZINC000848926283 969358130 /nfs/dbraw/zinc/35/81/30/969358130.db2.gz NZWZOKYJGOBGSX-LLVKDONJSA-N 1 0 288.351 1.176 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000294953645 199268250 /nfs/dbraw/zinc/26/82/50/199268250.db2.gz DHKHFENEQVUXRT-CYBMUJFWSA-N 1 0 299.440 1.170 20 10 CDCDRO OC[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000295051746 199321080 /nfs/dbraw/zinc/32/10/80/199321080.db2.gz NNGFXNKZKLHWJE-KOLCDFICSA-N 1 0 265.309 1.372 20 10 CDCDRO COc1cccc(CNC(=O)NCC[N@H+](C)C2CC2)c1O ZINC000074200822 345663793 /nfs/dbraw/zinc/66/37/93/345663793.db2.gz WMMNTRWKOPVPHQ-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)C[C@H](C)O)c1O ZINC000187820339 357811005 /nfs/dbraw/zinc/81/10/05/357811005.db2.gz QGROARIKCMNXSX-QMMMGPOBSA-N 1 0 259.733 1.867 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000187829766 357811909 /nfs/dbraw/zinc/81/19/09/357811909.db2.gz XYPBBLQPCOHUKJ-WLRWDXFRSA-N 1 0 285.409 1.990 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@H](C)O1 ZINC000188368112 357886419 /nfs/dbraw/zinc/88/64/19/357886419.db2.gz BNYHKNSPFAAVGT-OCCSQVGLSA-N 1 0 265.353 1.936 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000296044859 199763619 /nfs/dbraw/zinc/76/36/19/199763619.db2.gz USIDXHGKFDBKAN-KCPJHIHWSA-N 1 0 264.369 1.553 20 10 CDCDRO CC(C)CN1CCN(Cc2cc(F)ccc2O)CC1=O ZINC000190103203 358052876 /nfs/dbraw/zinc/05/28/76/358052876.db2.gz TYSVTBTVIIRYRQ-UHFFFAOYSA-N 1 0 280.343 1.832 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364211805 358087461 /nfs/dbraw/zinc/08/74/61/358087461.db2.gz IXBKCVKUNRCLCP-SJLPKXTDSA-N 1 0 299.418 1.903 20 10 CDCDRO CC(C)(C[NH2+]Cc1ccccc1O)N1CCOCC1 ZINC000020120605 358329606 /nfs/dbraw/zinc/32/96/06/358329606.db2.gz WQIUKDDIKFWMGJ-UHFFFAOYSA-N 1 0 264.369 1.593 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000294026597 358582345 /nfs/dbraw/zinc/58/23/45/358582345.db2.gz VIJMNQGBFFJLOT-CYBMUJFWSA-N 1 0 297.420 1.957 20 10 CDCDRO CC[C@@]1(C(=O)N(C)Cc2ccccc2O)CC[NH2+]C1 ZINC000062896294 360027338 /nfs/dbraw/zinc/02/73/38/360027338.db2.gz IZWUNMGBQHRSDP-OAHLLOKOSA-N 1 0 262.353 1.740 20 10 CDCDRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCSC1 ZINC000269223680 364161490 /nfs/dbraw/zinc/16/14/90/364161490.db2.gz BHCPTJDGHFKDJH-OAHLLOKOSA-N 1 0 293.436 1.365 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)Cc1ccc(N)cc1 ZINC000178836019 364950733 /nfs/dbraw/zinc/95/07/33/364950733.db2.gz SCYLIWDFSWHICE-UHFFFAOYSA-N 1 0 263.385 1.659 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cc(F)ccc1O ZINC000181232856 365025739 /nfs/dbraw/zinc/02/57/39/365025739.db2.gz XBVPJJFVPGTFNO-SNVBAGLBSA-N 1 0 282.315 1.041 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCNC(C)=O)c1 ZINC000182463653 365126279 /nfs/dbraw/zinc/12/62/79/365126279.db2.gz WJZVEYWCCZVBDI-JTQLQIEISA-N 1 0 266.341 1.578 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182463756 365128317 /nfs/dbraw/zinc/12/83/17/365128317.db2.gz YCFMUMVDMLPNTN-SNVBAGLBSA-N 1 0 266.341 1.530 20 10 CDCDRO COC[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000272642338 365333698 /nfs/dbraw/zinc/33/36/98/365333698.db2.gz CTLWSXAPZKEXJV-ZDUSSCGKSA-N 1 0 253.342 1.760 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1C ZINC000273578098 365508224 /nfs/dbraw/zinc/50/82/24/365508224.db2.gz MDVGDMLHNYJAIR-VXGBXAGGSA-N 1 0 262.353 1.890 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1cc(Cl)ccc1O ZINC000530226379 368151389 /nfs/dbraw/zinc/15/13/89/368151389.db2.gz OWVINMBZQYCJSM-ONGXEEELSA-N 1 0 270.760 1.685 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(Cl)ccc1O ZINC000530226376 368151425 /nfs/dbraw/zinc/15/14/25/368151425.db2.gz OWVINMBZQYCJSM-KOLCDFICSA-N 1 0 270.760 1.685 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000295185878 371142010 /nfs/dbraw/zinc/14/20/10/371142010.db2.gz IECRGFXIDHPBSN-CYBMUJFWSA-N 1 0 286.379 1.956 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000293754888 378589427 /nfs/dbraw/zinc/58/94/27/378589427.db2.gz OLUCFPSKDUFODE-RYUDHWBXSA-N 1 0 262.353 1.890 20 10 CDCDRO CN1CCCc2cc(CNC(=O)NCC[NH+](C)C)ccc21 ZINC000133554757 390936640 /nfs/dbraw/zinc/93/66/40/390936640.db2.gz KENSNULCEINFAJ-UHFFFAOYSA-N 1 0 290.411 1.430 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CC(C)(C)O)c1O ZINC000093414529 390902351 /nfs/dbraw/zinc/90/23/51/390902351.db2.gz NJVDBRLGIHXLGA-UHFFFAOYSA-N 1 0 253.342 1.994 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC)c(O)c1 ZINC000133611218 390903918 /nfs/dbraw/zinc/90/39/18/390903918.db2.gz AAKKBPGPOFNXDQ-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000179569840 391211383 /nfs/dbraw/zinc/21/13/83/391211383.db2.gz JTXUEGCRGYKBBP-MRXNPFEDSA-N 1 0 278.396 1.726 20 10 CDCDRO Nc1nsc(N2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000271343660 391294027 /nfs/dbraw/zinc/29/40/27/391294027.db2.gz KAQIZUHNZRKJIK-UHFFFAOYSA-N 1 0 291.380 1.148 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](CO)SC)c1O ZINC000152486780 392385001 /nfs/dbraw/zinc/38/50/01/392385001.db2.gz AIPRDVJCJDGSGZ-ZWNOBZJWSA-N 1 0 285.409 1.993 20 10 CDCDRO OCCOCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296273067 304825884 /nfs/dbraw/zinc/82/58/84/304825884.db2.gz CIDGNUGTACHXTB-LBPRGKRZSA-N 1 0 251.326 1.368 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)C(C)C)c1 ZINC000020125291 171008557 /nfs/dbraw/zinc/00/85/57/171008557.db2.gz LWUNMODWZCAITO-LLVKDONJSA-N 1 0 280.368 1.824 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCOCC2)c1 ZINC000020141748 171028625 /nfs/dbraw/zinc/02/86/25/171028625.db2.gz NHHWEIJPOUDSOR-ZDUSSCGKSA-N 1 0 294.395 1.774 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COCCO2)c(O)c1 ZINC000038060607 174071497 /nfs/dbraw/zinc/07/14/97/174071497.db2.gz RLFHSVPDHPZQPY-NWDGAFQWSA-N 1 0 251.326 1.767 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000038082859 174091672 /nfs/dbraw/zinc/09/16/72/174091672.db2.gz QADMBKSMOCYTPS-YPMHNXCESA-N 1 0 283.393 1.868 20 10 CDCDRO CCN(C)C(=O)CC[N@H+](C)Cc1ccccc1O ZINC000153450584 261078358 /nfs/dbraw/zinc/07/83/58/261078358.db2.gz YRENELOFFKBRLI-UHFFFAOYSA-N 1 0 250.342 1.692 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCN2CCOCC2)cc1 ZINC000163368990 261313578 /nfs/dbraw/zinc/31/35/78/261313578.db2.gz NIJJWBDUVNSOBC-UHFFFAOYSA-N 1 0 277.412 1.517 20 10 CDCDRO C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000179577260 261799592 /nfs/dbraw/zinc/79/95/92/261799592.db2.gz GXVMXWIGUWVDHE-STQMWFEESA-N 1 0 264.369 1.555 20 10 CDCDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(F)ccc1O ZINC000186150035 262081912 /nfs/dbraw/zinc/08/19/12/262081912.db2.gz UUPXBBLPOMMHQH-NSHDSACASA-N 1 0 283.343 1.971 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000184710582 262295660 /nfs/dbraw/zinc/29/56/60/262295660.db2.gz LGRBPFKFAWODMV-ZDUSSCGKSA-N 1 0 287.743 1.295 20 10 CDCDRO COc1c(O)c(CN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000289875050 263112556 /nfs/dbraw/zinc/11/25/56/263112556.db2.gz RNUGZPMCOBEXHZ-UHFFFAOYSA-N 1 0 283.328 1.302 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCSC1)OCO2 ZINC000230704281 329372027 /nfs/dbraw/zinc/37/20/27/329372027.db2.gz YYDHWNXOPXZJRX-SECBINFHSA-N 1 0 253.323 1.716 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000078639457 330327003 /nfs/dbraw/zinc/32/70/03/330327003.db2.gz SKDJAGMTUSKYNM-SNVBAGLBSA-N 1 0 269.366 1.144 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\C[NH+](C)C ZINC000491935878 332375971 /nfs/dbraw/zinc/37/59/71/332375971.db2.gz GHJGGAADKRSFIO-WAYWQWQTSA-N 1 0 289.379 1.596 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)c(O)c1 ZINC001272626520 1161166476 /nfs/dbraw/zinc/16/64/76/1161166476.db2.gz ZTFZKTMNFIRJDC-MRXNPFEDSA-N 1 0 290.363 1.455 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)COC)c(O)c1 ZINC000117946865 520365754 /nfs/dbraw/zinc/36/57/54/520365754.db2.gz YGFAIJUHFJYRFO-GFCCVEGCSA-N 1 0 269.341 1.278 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@H](CC)C(N)=O ZINC000076074298 521690475 /nfs/dbraw/zinc/69/04/75/521690475.db2.gz INRFVUMHANGXII-GFCCVEGCSA-N 1 0 250.342 1.868 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000187041844 519678218 /nfs/dbraw/zinc/67/82/18/519678218.db2.gz PKSDQSMLVISTKE-GFCCVEGCSA-N 1 0 292.379 1.948 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000276512646 521637333 /nfs/dbraw/zinc/63/73/33/521637333.db2.gz DYOFCGLOLQKXSI-SECBINFHSA-N 1 0 282.315 1.451 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276637601 522099827 /nfs/dbraw/zinc/09/98/27/522099827.db2.gz ULTJSVJXYUDJEN-UWVGGRQHSA-N 1 0 296.342 1.840 20 10 CDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236946190 522367742 /nfs/dbraw/zinc/36/77/42/522367742.db2.gz FGPGNGLXUGDNDR-YGRLFVJLSA-N 1 0 281.375 1.881 20 10 CDCDRO COc1cc(O)c(CN(C)CC[N@H+](C)C2CC2)cc1OC ZINC000290640051 522769590 /nfs/dbraw/zinc/76/95/90/522769590.db2.gz YMKJIBSMKJZQLR-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1O ZINC000228094688 524433984 /nfs/dbraw/zinc/43/39/84/524433984.db2.gz PQGPFXGZAAQNJY-SMDDNHRTSA-N 1 0 251.326 1.330 20 10 CDCDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000121169045 525338682 /nfs/dbraw/zinc/33/86/82/525338682.db2.gz QCCAPCWOLNROJC-LBPRGKRZSA-N 1 0 299.440 1.343 20 10 CDCDRO C[C@@H](O)C[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000131111307 525779883 /nfs/dbraw/zinc/77/98/83/525779883.db2.gz YPDZUBDVTLVIGN-CYBMUJFWSA-N 1 0 293.411 1.024 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000129559265 525882363 /nfs/dbraw/zinc/88/23/63/525882363.db2.gz RXDVZDYVTWPAFX-CQSZACIVSA-N 1 0 265.309 1.468 20 10 CDCDRO O=C(NCc1ccccc1O)NC1CC[NH+](C2CC2)CC1 ZINC000299485285 526753623 /nfs/dbraw/zinc/75/36/23/526753623.db2.gz ICBRBMIMDNHNJC-UHFFFAOYSA-N 1 0 289.379 1.818 20 10 CDCDRO OCCOCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000265809856 527557005 /nfs/dbraw/zinc/55/70/05/527557005.db2.gz PTFAONQCLRBTMD-OAHLLOKOSA-N 1 0 295.379 1.382 20 10 CDCDRO CC[N@H+](CCNC(=O)NCc1ccccc1O)C(C)C ZINC000726708842 574504533 /nfs/dbraw/zinc/50/45/33/574504533.db2.gz DSUYCVGJAPYGBD-UHFFFAOYSA-N 1 0 279.384 1.922 20 10 CDCDRO COc1ccc(N2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000726602644 574501534 /nfs/dbraw/zinc/50/15/34/574501534.db2.gz ZUHGWHGEZTXPRZ-UHFFFAOYSA-N 1 0 284.381 1.213 20 10 CDCDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000727470851 574584788 /nfs/dbraw/zinc/58/47/88/574584788.db2.gz PEVSEGTWCXLSAZ-UHFFFAOYSA-N 1 0 296.370 1.939 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CCNC(=O)C(C)C ZINC000770378400 575442891 /nfs/dbraw/zinc/44/28/91/575442891.db2.gz FGXWSWPDVQPJMF-UHFFFAOYSA-N 1 0 280.368 1.605 20 10 CDCDRO C[NH+](C)[C@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000732274761 575085606 /nfs/dbraw/zinc/08/56/06/575085606.db2.gz YSYOGLZEYICZEX-SNVBAGLBSA-N 1 0 254.355 1.524 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)C(C)C ZINC000732817753 575097405 /nfs/dbraw/zinc/09/74/05/575097405.db2.gz KCXZSIIQTFYXEM-AWEZNQCLSA-N 1 0 253.342 1.897 20 10 CDCDRO CCN(C)c1ccc(CN2CC[NH+](CCOC)CC2)cc1 ZINC000773730502 575836289 /nfs/dbraw/zinc/83/62/89/575836289.db2.gz IOZOPUJJBKDKHD-UHFFFAOYSA-N 1 0 291.439 1.907 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CC[S@@](C)=O)CC2)cc1 ZINC000766048691 576074280 /nfs/dbraw/zinc/07/42/80/576074280.db2.gz BHGVUTLGXIXDNO-HXUWFJFHSA-N 1 0 296.436 1.632 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cccc(OC)c2O)CCOC1 ZINC000766470291 576104970 /nfs/dbraw/zinc/10/49/70/576104970.db2.gz SUFRXDWDJSFKKD-HNNXBMFYSA-N 1 0 295.335 1.213 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000754739159 576913236 /nfs/dbraw/zinc/91/32/36/576913236.db2.gz KIKQTGNPGGHXBI-DGCLKSJQSA-N 1 0 293.363 1.950 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c(O)c1C ZINC000756662263 576999141 /nfs/dbraw/zinc/99/91/41/576999141.db2.gz ZNHIRPAPSPTUMK-GXSJLCMTSA-N 1 0 250.342 1.924 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000775986173 617594155 /nfs/dbraw/zinc/59/41/55/617594155.db2.gz PKPFTNUQWNXEDB-VXGBXAGGSA-N 1 0 264.369 1.925 20 10 CDCDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893159250 617419593 /nfs/dbraw/zinc/41/95/93/617419593.db2.gz JKJZSZWOWVDKCC-NSHDSACASA-N 1 0 283.368 1.908 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1ccc(OC)c(OC)c1O ZINC000891611855 617503224 /nfs/dbraw/zinc/50/32/24/617503224.db2.gz DCHUTDUCQKIZQR-UHFFFAOYSA-N 1 0 296.367 1.320 20 10 CDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000892199298 617546254 /nfs/dbraw/zinc/54/62/54/617546254.db2.gz LXCGSUPDZOVKKK-ZJUUUORDSA-N 1 0 263.341 1.543 20 10 CDCDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893719952 617974373 /nfs/dbraw/zinc/97/43/73/617974373.db2.gz TXZWBIFSFSBMJR-OAHLLOKOSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)c(O)c1OC ZINC000893031697 618078104 /nfs/dbraw/zinc/07/81/04/618078104.db2.gz DSOUCQMPPCFVKI-JTQLQIEISA-N 1 0 291.351 1.994 20 10 CDCDRO COC(=O)[C@@H]1[C@@H](C[N@H+](C)Cc2ccccc2O)C1(F)F ZINC000893961288 618208878 /nfs/dbraw/zinc/20/88/78/618208878.db2.gz DVPTYCJDCXMGGL-PWSUYJOCSA-N 1 0 285.290 1.878 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000894268071 618368575 /nfs/dbraw/zinc/36/85/75/618368575.db2.gz AMHUHPQKDAOWKN-AWEZNQCLSA-N 1 0 295.379 1.994 20 10 CDCDRO CONC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894278959 618433192 /nfs/dbraw/zinc/43/31/92/618433192.db2.gz ZRQFEINWTWZBLL-ZDUSSCGKSA-N 1 0 280.372 1.216 20 10 CDCDRO CC[C@@H](CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894288940 618494814 /nfs/dbraw/zinc/49/48/14/618494814.db2.gz GCIOCGWWBKLJPT-LBPRGKRZSA-N 1 0 253.342 1.960 20 10 CDCDRO C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000841041939 618677113 /nfs/dbraw/zinc/67/71/13/618677113.db2.gz KHDHXMCBPOIFEO-UHFFFAOYSA-N 1 0 258.749 1.753 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cccnc2)cc1 ZINC000841043957 618678521 /nfs/dbraw/zinc/67/85/21/618678521.db2.gz RTFGAKWEGRTKSG-MRXNPFEDSA-N 1 0 270.380 1.937 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057109 618691355 /nfs/dbraw/zinc/69/13/55/618691355.db2.gz BEYFKKPAIHRKSQ-NXEZZACHSA-N 1 0 295.339 1.478 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)C(C)(C)C)cc1 ZINC000843298292 618701776 /nfs/dbraw/zinc/70/17/76/618701776.db2.gz LXQWZDBWGMRCHE-CYBMUJFWSA-N 1 0 291.395 1.484 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C[C@H]3COCO3)CC2)cc1 ZINC000894875288 619113322 /nfs/dbraw/zinc/11/33/22/619113322.db2.gz AIRYRFIEQVNWHD-INIZCTEOSA-N 1 0 292.379 1.627 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H](C)O ZINC000894904461 619136462 /nfs/dbraw/zinc/13/64/62/619136462.db2.gz INHPUEDAHWJXMB-PWSUYJOCSA-N 1 0 253.342 1.958 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(C)=NO2)c1 ZINC000895307978 619543779 /nfs/dbraw/zinc/54/37/79/619543779.db2.gz VTPRUNSIGGFRHW-LBPRGKRZSA-N 1 0 250.298 1.655 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1F ZINC000895332193 619578292 /nfs/dbraw/zinc/57/82/92/619578292.db2.gz SFXVSDQDHRJMHX-SWLSCSKDSA-N 1 0 282.359 1.209 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3[C@H](O)CC[C@@H]3C1)OCO2 ZINC000895785630 619841502 /nfs/dbraw/zinc/84/15/02/619841502.db2.gz YGHXGHHDAARPAC-ADEWGFFLSA-N 1 0 277.320 1.324 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896387750 620082024 /nfs/dbraw/zinc/08/20/24/620082024.db2.gz UTGUPIGBAKHRNL-ZDUSSCGKSA-N 1 0 263.337 1.895 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000896732881 620216481 /nfs/dbraw/zinc/21/64/81/620216481.db2.gz LKZUGQBDHZFVCI-ZYHUDNBSSA-N 1 0 251.326 1.834 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCC[NH2+]1 ZINC000841035804 621080693 /nfs/dbraw/zinc/08/06/93/621080693.db2.gz MQTIRZDCTIIBHA-HNNXBMFYSA-N 1 0 275.396 1.365 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000898119375 621327582 /nfs/dbraw/zinc/32/75/82/621327582.db2.gz PMABKUVYJDUEHH-JTQLQIEISA-N 1 0 253.342 1.958 20 10 CDCDRO C[C@@H](CCO)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448830 621741138 /nfs/dbraw/zinc/74/11/38/621741138.db2.gz YCVCJNLAZFAXGC-XJKSGUPXSA-N 1 0 279.428 1.716 20 10 CDCDRO CC[C@@H]([NH3+])CNCc1cc(Cl)cc(OC)c1O ZINC000841072265 624420631 /nfs/dbraw/zinc/42/06/31/624420631.db2.gz MXYAVCYNQNRSQT-SNVBAGLBSA-N 1 0 258.749 1.881 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001170518471 1162736799 /nfs/dbraw/zinc/73/67/99/1162736799.db2.gz SYVNRMRHHLAIAM-GHMZBOCLSA-N 1 0 265.309 1.529 20 10 CDCDRO Cc1cc(Br)c(O)c(CN2CC(C)([NH3+])C2)c1 ZINC001204993110 1160255239 /nfs/dbraw/zinc/25/52/39/1160255239.db2.gz ACUJBCHVQIPYMQ-UHFFFAOYSA-N 1 0 285.185 1.996 20 10 CDCDRO CCc1cccc(C[NH2+]CC(=O)N(C)CC)c1O ZINC000691479978 1161194917 /nfs/dbraw/zinc/19/49/17/1161194917.db2.gz IYWUGTRAVHYSCA-UHFFFAOYSA-N 1 0 250.342 1.523 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)O ZINC000877568227 1166060017 /nfs/dbraw/zinc/06/00/17/1166060017.db2.gz HXOJFPPIRMORDN-DYVFJYSZSA-N 1 0 292.423 1.897 20 10 CDCDRO COCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC000058115118 1167208382 /nfs/dbraw/zinc/20/83/82/1167208382.db2.gz LCEPLPZWHSFDIP-UHFFFAOYSA-N 1 0 281.375 1.314 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000126936979 1175524584 /nfs/dbraw/zinc/52/45/84/1175524584.db2.gz XVUMUYFSUBPZGZ-LBPRGKRZSA-N 1 0 269.366 1.367 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(OC)cc1O ZINC000133421160 1175805174 /nfs/dbraw/zinc/80/51/74/1175805174.db2.gz WXDNABPIWFMEHT-UHFFFAOYSA-N 1 0 269.341 1.496 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000219146535 1177899321 /nfs/dbraw/zinc/89/93/21/1177899321.db2.gz WLJKGYQANVHYNB-OAHLLOKOSA-N 1 0 278.396 1.774 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOC2=O)c1 ZINC000775375590 730421634 /nfs/dbraw/zinc/42/16/34/730421634.db2.gz NODFYWSOFHOPMS-SNVBAGLBSA-N 1 0 280.324 1.504 20 10 CDCDRO CCNC(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000228324180 730473006 /nfs/dbraw/zinc/47/30/06/730473006.db2.gz BWLVDKBTTFKNKG-GFCCVEGCSA-N 1 0 263.385 1.929 20 10 CDCDRO CC(C)N(C)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000380598298 730473827 /nfs/dbraw/zinc/47/38/27/730473827.db2.gz YYTUAZQITGHMGV-NSHDSACASA-N 1 0 280.368 1.939 20 10 CDCDRO CCc1nn(C)cc1C[NH2+]Cc1cccc(OC)c1O ZINC000157936056 730513734 /nfs/dbraw/zinc/51/37/34/730513734.db2.gz ZJKQORIBJYWQQL-UHFFFAOYSA-N 1 0 275.352 1.987 20 10 CDCDRO CN1CCN(C(=O)C2=CC(=O)CS2)CC1(C)C ZINC000847137463 730527181 /nfs/dbraw/zinc/52/71/81/730527181.db2.gz COOUAZTYPZMIHL-UHFFFAOYSA-N 1 0 254.355 1.620 20 10 CDCDRO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000841929220 730529384 /nfs/dbraw/zinc/52/93/84/730529384.db2.gz UYQPAEWMBSVCRK-CHWSQXEVSA-N 1 0 291.395 1.922 20 10 CDCDRO C[N@H+](CCC(N)=O)Cc1cc(Br)ccc1O ZINC000382163248 730590726 /nfs/dbraw/zinc/59/07/26/730590726.db2.gz IGJNYFSBBXDSEH-UHFFFAOYSA-N 1 0 287.157 1.462 20 10 CDCDRO Cn1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000814255297 730694872 /nfs/dbraw/zinc/69/48/72/730694872.db2.gz GPRGILZBBPHHJR-UHFFFAOYSA-N 1 0 286.383 1.179 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000839196607 730710725 /nfs/dbraw/zinc/71/07/25/730710725.db2.gz WIRKUPDNMJQOHU-VIFPVBQESA-N 1 0 268.744 1.661 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H](C)CO1 ZINC000844733775 730711827 /nfs/dbraw/zinc/71/18/27/730711827.db2.gz XSGFAEJORQVGHL-IXPVHAAZSA-N 1 0 293.363 1.817 20 10 CDCDRO CN(CC[NH+]1CCCCC1)C(=O)c1c(F)ccc(O)c1O ZINC000846662462 730873762 /nfs/dbraw/zinc/87/37/62/730873762.db2.gz RTZZPINBKIVMSS-UHFFFAOYSA-N 1 0 296.342 1.795 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@]2(CO)CCOC2)c(O)c1 ZINC000877649233 730882493 /nfs/dbraw/zinc/88/24/93/730882493.db2.gz QWJOPZCLDCSSAA-AWEZNQCLSA-N 1 0 251.326 1.284 20 10 CDCDRO C[C@@H](NC(=O)N1CCC([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000841884245 730882915 /nfs/dbraw/zinc/88/29/15/730882915.db2.gz ZHOIXACVZDCTNE-GFCCVEGCSA-N 1 0 290.411 1.946 20 10 CDCDRO C[NH2+]C[C@@H](C)NCc1cc(Br)ccc1O ZINC000853249655 730891423 /nfs/dbraw/zinc/89/14/23/730891423.db2.gz SPHVMPIFKRSVLB-MRVPVSSYSA-N 1 0 273.174 1.852 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C2(C)CC2)cc1 ZINC000842784508 730895201 /nfs/dbraw/zinc/89/52/01/730895201.db2.gz HHLRZBFOIVETFS-CYBMUJFWSA-N 1 0 297.424 1.224 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCNC(=O)C2CC2)c1O ZINC000846135053 730943922 /nfs/dbraw/zinc/94/39/22/730943922.db2.gz AJLLGVMANNBJDA-JTQLQIEISA-N 1 0 278.352 1.578 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C)C[C@H]1CO ZINC000877645005 730947998 /nfs/dbraw/zinc/94/79/98/730947998.db2.gz XWTCEPIDJBJDIX-INIZCTEOSA-N 1 0 277.412 1.169 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000862532205 730949073 /nfs/dbraw/zinc/94/90/73/730949073.db2.gz SKOMUARLIDMPEO-MRXNPFEDSA-N 1 0 277.412 1.217 20 10 CDCDRO C[S@](=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877050799 730970242 /nfs/dbraw/zinc/97/02/42/730970242.db2.gz FCGYEUVLMWJPGR-FQEVSTJZSA-N 1 0 296.436 1.116 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)cc1C ZINC000122917489 731050343 /nfs/dbraw/zinc/05/03/43/731050343.db2.gz CDQZQZHLHMQKGQ-HNNXBMFYSA-N 1 0 265.353 1.899 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000843054071 731067491 /nfs/dbraw/zinc/06/74/91/731067491.db2.gz CNJOGAMCHXZXOE-OLZOCXBDSA-N 1 0 292.379 1.736 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000840964184 731078894 /nfs/dbraw/zinc/07/88/94/731078894.db2.gz YPMCEIOSKCZTRX-OCCSQVGLSA-N 1 0 265.353 1.578 20 10 CDCDRO COc1cc(O)c(C[NH2+]C2([C@H](C)O)CC2)cc1OC ZINC000827586358 731092588 /nfs/dbraw/zinc/09/25/88/731092588.db2.gz WOLQRHITGUJLCF-VIFPVBQESA-N 1 0 267.325 1.412 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1C ZINC000212583936 731099496 /nfs/dbraw/zinc/09/94/96/731099496.db2.gz JCZVUFFNEKIHTH-CYBMUJFWSA-N 1 0 283.393 1.670 20 10 CDCDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(Cl)cc1O ZINC000841751420 731112168 /nfs/dbraw/zinc/11/21/68/731112168.db2.gz MVQQSJWOWVZOHB-JTQLQIEISA-N 1 0 298.770 1.555 20 10 CDCDRO COc1cccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827119555 731122841 /nfs/dbraw/zinc/12/28/41/731122841.db2.gz NFOULAPZHNGIKT-CQSZACIVSA-N 1 0 292.379 1.307 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834903914 731150925 /nfs/dbraw/zinc/15/09/25/731150925.db2.gz LJBSXDOYOOYIIW-YRGRVCCFSA-N 1 0 263.337 1.773 20 10 CDCDRO CN(C)C(=O)CN(C)Cc1cc(Cl)ccc1O ZINC000132120020 731161830 /nfs/dbraw/zinc/16/18/30/731161830.db2.gz QVTYGUCNAJSHII-UHFFFAOYSA-N 1 0 256.733 1.566 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000710018586 731212534 /nfs/dbraw/zinc/21/25/34/731212534.db2.gz UMPUGWZXFUTRAT-CYBMUJFWSA-N 1 0 261.369 1.367 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C2([NH+](C)C)CC2)c1 ZINC000830543592 731218493 /nfs/dbraw/zinc/21/84/93/731218493.db2.gz ABPKYTVJEZYSDO-UHFFFAOYSA-N 1 0 264.325 1.111 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccon2)c1 ZINC000775372643 731251375 /nfs/dbraw/zinc/25/13/75/731251375.db2.gz DYVDVLMHTYPDRH-VIFPVBQESA-N 1 0 291.307 1.678 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1O ZINC000126928114 731256704 /nfs/dbraw/zinc/25/67/04/731256704.db2.gz QUNKEGQKEIRVHA-NSHDSACASA-N 1 0 285.365 1.068 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843355823 731278287 /nfs/dbraw/zinc/27/82/87/731278287.db2.gz KAIJUPWUNOOGLS-XPTSAGLGSA-N 1 0 296.342 1.282 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000775097734 731305164 /nfs/dbraw/zinc/30/51/64/731305164.db2.gz LTKSRBDWGYPFER-AWEZNQCLSA-N 1 0 296.323 1.656 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000186067064 731322308 /nfs/dbraw/zinc/32/23/08/731322308.db2.gz SKVAJKNBLAXPAR-LQJRIPTKSA-N 1 0 251.326 1.965 20 10 CDCDRO C[C@@H](O)C1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877637508 731364557 /nfs/dbraw/zinc/36/45/57/731364557.db2.gz JOTMAOCKMFKWFH-CYBMUJFWSA-N 1 0 290.407 1.651 20 10 CDCDRO C[NH2+]C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000853249029 731370264 /nfs/dbraw/zinc/37/02/64/731370264.db2.gz BGNPIXXMUVTFGT-LBPRGKRZSA-N 1 0 281.375 1.360 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Cl)cc1O ZINC000841751517 731372041 /nfs/dbraw/zinc/37/20/41/731372041.db2.gz NLOVPJVGZBKWMD-NOZJJQNGSA-N 1 0 271.744 1.848 20 10 CDCDRO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843125277 731421640 /nfs/dbraw/zinc/42/16/40/731421640.db2.gz QQKGSJZDUCGVHQ-ZBFHGGJFSA-N 1 0 294.370 1.860 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000841654588 731427962 /nfs/dbraw/zinc/42/79/62/731427962.db2.gz NSHAWPKNUJIZGA-CYBMUJFWSA-N 1 0 276.384 1.304 20 10 CDCDRO COCC1(O)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876749556 731454262 /nfs/dbraw/zinc/45/42/62/731454262.db2.gz MBSJBVYDZYTOBD-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO COc1ccc(N(C)CCN(C)CC(=O)N(C)C)cc1 ZINC000844399119 731456071 /nfs/dbraw/zinc/45/60/71/731456071.db2.gz GSNROIQBAOBCFJ-UHFFFAOYSA-N 1 0 279.384 1.151 20 10 CDCDRO COc1cccc(O)c1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000843049158 731474051 /nfs/dbraw/zinc/47/40/51/731474051.db2.gz GZHYWHFLGXZGQM-GHMZBOCLSA-N 1 0 250.342 1.583 20 10 CDCDRO CC[C@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000877692772 731515285 /nfs/dbraw/zinc/51/52/85/731515285.db2.gz SODCGKAJRXDYBN-HNNXBMFYSA-N 1 0 279.336 1.858 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[NH3+])cc1 ZINC000826020647 731567265 /nfs/dbraw/zinc/56/72/65/731567265.db2.gz VQUCHHYJDOGOBC-GFCCVEGCSA-N 1 0 263.385 1.838 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1 ZINC000815108530 731569255 /nfs/dbraw/zinc/56/92/55/731569255.db2.gz YXZQBGLJRWGSMQ-IUODEOHRSA-N 1 0 275.396 1.757 20 10 CDCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC(=O)N1 ZINC000835062201 731615665 /nfs/dbraw/zinc/61/56/65/731615665.db2.gz ZAUQIDSDYDCRQP-HNNXBMFYSA-N 1 0 260.337 1.380 20 10 CDCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000816660820 731648964 /nfs/dbraw/zinc/64/89/64/731648964.db2.gz QLASGFKUTFAAPY-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@]1(O)CCCOC1)CC2 ZINC000846211025 731659772 /nfs/dbraw/zinc/65/97/72/731659772.db2.gz FLPCSTGFJURHRV-XJKSGUPXSA-N 1 0 277.364 1.901 20 10 CDCDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1O ZINC000783507664 731705799 /nfs/dbraw/zinc/70/57/99/731705799.db2.gz DJLPPFWOJDRNIF-OLZOCXBDSA-N 1 0 264.369 1.764 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000797417366 731727049 /nfs/dbraw/zinc/72/70/49/731727049.db2.gz RFWPSZUZGLKTSJ-MRXNPFEDSA-N 1 0 276.380 1.967 20 10 CDCDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877085576 731752965 /nfs/dbraw/zinc/75/29/65/731752965.db2.gz KRQMZBFNCKVEKT-LBPRGKRZSA-N 1 0 277.368 1.594 20 10 CDCDRO CN1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000790960553 731829727 /nfs/dbraw/zinc/82/97/27/731829727.db2.gz VUHTXIPDLKVHKC-MRVPVSSYSA-N 1 0 258.724 1.978 20 10 CDCDRO COc1ccc(O)c([C@H](C)NCc2nncn2C)c1 ZINC000038007482 731845818 /nfs/dbraw/zinc/84/58/18/731845818.db2.gz IZETVFBXSBLBMW-VIFPVBQESA-N 1 0 262.313 1.380 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817945048 731849735 /nfs/dbraw/zinc/84/97/35/731849735.db2.gz SCOLEXYJONDUJK-NSHDSACASA-N 1 0 267.348 1.087 20 10 CDCDRO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1O ZINC000775129670 731854384 /nfs/dbraw/zinc/85/43/84/731854384.db2.gz IMLOCHRRHZXPKR-JTQLQIEISA-N 1 0 258.325 1.781 20 10 CDCDRO Cc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)c(O)c1O ZINC000846615022 731859217 /nfs/dbraw/zinc/85/92/17/731859217.db2.gz WDALDNQLDLYQGX-UHFFFAOYSA-N 1 0 292.379 1.964 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000111748496 731874533 /nfs/dbraw/zinc/87/45/33/731874533.db2.gz OAVWWPSRFIGOBL-QWRGUYRKSA-N 1 0 250.342 1.583 20 10 CDCDRO CC[NH2+]CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000844191029 731969892 /nfs/dbraw/zinc/96/98/92/731969892.db2.gz OQUIOFFBNNINOJ-UHFFFAOYSA-N 1 0 295.358 1.092 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1F ZINC000886226676 731981136 /nfs/dbraw/zinc/98/11/36/731981136.db2.gz PTHRUVOBFCZGRD-KBPBESRZSA-N 1 0 296.386 1.911 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1F ZINC000835079819 731981823 /nfs/dbraw/zinc/98/18/23/731981823.db2.gz DIGIGUMZKGQOJB-TZMCWYRMSA-N 1 0 252.333 1.895 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000846144512 731994409 /nfs/dbraw/zinc/99/44/09/731994409.db2.gz HIZQNLPZXRXDHC-YGRLFVJLSA-N 1 0 283.393 1.919 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000841652063 732001668 /nfs/dbraw/zinc/00/16/68/732001668.db2.gz CSADWMKLKZQXKP-UHFFFAOYSA-N 1 0 276.384 1.433 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)F)cc1 ZINC000844162415 732003609 /nfs/dbraw/zinc/00/36/09/732003609.db2.gz BFWBCFIKLFJKFY-GFCCVEGCSA-N 1 0 267.348 1.617 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000379448399 732016439 /nfs/dbraw/zinc/01/64/39/732016439.db2.gz ZLMIFOCOXCFHPZ-QWRGUYRKSA-N 1 0 250.342 1.583 20 10 CDCDRO C[NH+]1CCC(CCO)(NC(=O)C2=CC(=O)CS2)CC1 ZINC000831785864 732024649 /nfs/dbraw/zinc/02/46/49/732024649.db2.gz REEWMAGDDSWUOW-UHFFFAOYSA-N 1 0 284.381 1.030 20 10 CDCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406740 732047000 /nfs/dbraw/zinc/04/70/00/732047000.db2.gz RRFFMUVKUBCBAB-ZDUSSCGKSA-N 1 0 278.396 1.772 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)NC ZINC000825315829 732070563 /nfs/dbraw/zinc/07/05/63/732070563.db2.gz GVULRHPJPHNDRN-HNNXBMFYSA-N 1 0 291.395 1.137 20 10 CDCDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc2c(cc1O)OCO2 ZINC000846699520 732108328 /nfs/dbraw/zinc/10/83/28/732108328.db2.gz UCJNJBZCZOAQCY-MWLCHTKSSA-N 1 0 264.325 1.433 20 10 CDCDRO COc1ccc(O)c(CN(C)CCC[NH+](C)C)c1 ZINC000211503620 732171472 /nfs/dbraw/zinc/17/14/72/732171472.db2.gz WUPYPXAJCYPGLA-UHFFFAOYSA-N 1 0 252.358 1.784 20 10 CDCDRO CCC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877028043 732180585 /nfs/dbraw/zinc/18/05/85/732180585.db2.gz WVEIETMXKKVICC-QGZVFWFLSA-N 1 0 292.423 1.898 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000817943299 732242071 /nfs/dbraw/zinc/24/20/71/732242071.db2.gz UCWRQSWAMTWZDC-KOZAUXTDSA-N 1 0 277.412 1.908 20 10 CDCDRO CC[NH2+]CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817952301 732243208 /nfs/dbraw/zinc/24/32/08/732243208.db2.gz PDGKCJCLPJYZGV-CYBMUJFWSA-N 1 0 295.402 1.922 20 10 CDCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000133462591 732271786 /nfs/dbraw/zinc/27/17/86/732271786.db2.gz CWVRVQKUUCOCOW-DZGCQCFKSA-N 1 0 277.412 1.609 20 10 CDCDRO CCc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1O ZINC000848898438 732274919 /nfs/dbraw/zinc/27/49/19/732274919.db2.gz CKEZHJXVXXYTPF-UHFFFAOYSA-N 1 0 290.323 1.849 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC(C)(C)[NH3+])cc1 ZINC000841654057 732278594 /nfs/dbraw/zinc/27/85/94/732278594.db2.gz MKUQUGKMDSBHJF-UHFFFAOYSA-N 1 0 264.373 1.289 20 10 CDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000817676304 732331326 /nfs/dbraw/zinc/33/13/26/732331326.db2.gz CXTAXASIWIERBJ-WOLRVDTOSA-N 1 0 290.363 1.664 20 10 CDCDRO C[C@H](C(=O)NC1CC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000700923781 732540640 /nfs/dbraw/zinc/54/06/40/732540640.db2.gz NJZPZTIOGSYUFU-LLVKDONJSA-N 1 0 273.380 1.565 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000877516016 732588256 /nfs/dbraw/zinc/58/82/56/732588256.db2.gz ARWSHCVQAOHUAI-CABCVRRESA-N 1 0 290.407 1.996 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@]2(OC)CCOC2)c1 ZINC000126980406 732592152 /nfs/dbraw/zinc/59/21/52/732592152.db2.gz HUYCUPGNBDLESY-AWEZNQCLSA-N 1 0 267.325 1.296 20 10 CDCDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(O)c1O ZINC000812394667 732612719 /nfs/dbraw/zinc/61/27/19/732612719.db2.gz UYOIHYFYBOFDPM-NSHDSACASA-N 1 0 280.368 1.948 20 10 CDCDRO O=C1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@H]2N1 ZINC000827132758 732618791 /nfs/dbraw/zinc/61/87/91/732618791.db2.gz OFIFAWZOQHSRKG-GXFFZTMASA-N 1 0 278.327 1.632 20 10 CDCDRO COc1ccc(N(C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000049969907 732652548 /nfs/dbraw/zinc/65/25/48/732652548.db2.gz DMQZJAYLUCADOZ-UHFFFAOYSA-N 1 0 276.340 1.908 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000846697818 732744039 /nfs/dbraw/zinc/74/40/39/732744039.db2.gz WSXMEVVZBUQABX-HNNXBMFYSA-N 1 0 291.395 1.342 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC2(O)CCOCC2)c(O)c1 ZINC000783715642 732744928 /nfs/dbraw/zinc/74/49/28/732744928.db2.gz NRLXRDLYWLIUTE-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO CC(C)[NH2+]CC(=O)NCCCSc1nccs1 ZINC000852805755 732778020 /nfs/dbraw/zinc/77/80/20/732778020.db2.gz KUBKMWMIVSSXRE-UHFFFAOYSA-N 1 0 273.427 1.740 20 10 CDCDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944256 732845269 /nfs/dbraw/zinc/84/52/69/732845269.db2.gz YNQMTKDYVOHDKG-IUODEOHRSA-N 1 0 287.411 1.837 20 10 CDCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc(Cl)ccc1O ZINC000843124106 732898117 /nfs/dbraw/zinc/89/81/17/732898117.db2.gz VEDKUIBFPXZEPK-GFCCVEGCSA-N 1 0 298.770 1.383 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC3=[NH+]CCN3C)C2)cc1 ZINC000849044164 732927330 /nfs/dbraw/zinc/92/73/30/732927330.db2.gz XEWQHVUNIGGSTP-ZDUSSCGKSA-N 1 0 288.395 1.413 20 10 CDCDRO [NH3+][C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000841709470 733070963 /nfs/dbraw/zinc/07/09/63/733070963.db2.gz GWDQAPBNPNLECD-CQSZACIVSA-N 1 0 288.395 1.529 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Cl)cc1O ZINC000841752217 733123255 /nfs/dbraw/zinc/12/32/55/733123255.db2.gz NBITWEQFAKIDFJ-IINYFYTJSA-N 1 0 284.787 1.763 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC000817414995 733126539 /nfs/dbraw/zinc/12/65/39/733126539.db2.gz QJQAWYLHTRQNQF-ZYHUDNBSSA-N 1 0 251.326 1.746 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2cc(C)ccc2O)CCOC1 ZINC000122881129 733131983 /nfs/dbraw/zinc/13/19/83/733131983.db2.gz GIHCBBJBIDLMRO-CQSZACIVSA-N 1 0 251.326 1.596 20 10 CDCDRO CCCS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786143 733156920 /nfs/dbraw/zinc/15/69/20/733156920.db2.gz ZWTWLHRJZVKWJM-ZDUSSCGKSA-N 1 0 285.413 1.082 20 10 CDCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877555743 1166055786 /nfs/dbraw/zinc/05/57/86/1166055786.db2.gz ADVVWLRSBSMYCK-OAHLLOKOSA-N 1 0 292.423 1.850 20 10 CDCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2O)C1=O ZINC001272619635 914191779 /nfs/dbraw/zinc/19/17/79/914191779.db2.gz XIRINVWDJBERJU-OAHLLOKOSA-N 1 0 260.337 1.589 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000694602915 898578813 /nfs/dbraw/zinc/57/88/13/898578813.db2.gz DNTYBZHQDODDQM-CYBMUJFWSA-N 1 0 299.392 1.458 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000237082582 901987451 /nfs/dbraw/zinc/98/74/51/901987451.db2.gz WFBVNJSNUJQRDR-OAHLLOKOSA-N 1 0 291.395 1.137 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)C[C@@H](C)O)cc1OC ZINC000783602423 906726024 /nfs/dbraw/zinc/72/60/24/906726024.db2.gz LDDDMISUUNORGG-NXEZZACHSA-N 1 0 269.341 1.658 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)CC1=O ZINC000691490811 909241050 /nfs/dbraw/zinc/24/10/50/909241050.db2.gz YDUBMMPHGPMZQY-JTQLQIEISA-N 1 0 299.168 1.475 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)C)c1 ZINC000037225383 910623714 /nfs/dbraw/zinc/62/37/14/910623714.db2.gz QDGONNPGLONBHT-VIFPVBQESA-N 1 0 252.314 1.140 20 10 CDCDRO O=C1CC[C@H]2C[C@@H]([NH2+]CCc3ccc(O)c(O)c3)CCN12 ZINC001172150291 911363989 /nfs/dbraw/zinc/36/39/89/911363989.db2.gz MNKWXUQERSAPCF-STQMWFEESA-N 1 0 290.363 1.383 20 10 CDCDRO O=C(N1CCc2cccc(O)c2C1)C12CC[NH+](CC1)CC2 ZINC001181546273 917142042 /nfs/dbraw/zinc/14/20/42/917142042.db2.gz JQQCVSMKPLAAQF-UHFFFAOYSA-N 1 0 286.375 1.763 20 10 CDCDRO Oc1cccc(F)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC001137837487 936419028 /nfs/dbraw/zinc/41/90/28/936419028.db2.gz IYPHHNLFXLVILB-NSHDSACASA-N 1 0 250.317 1.811 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)CCc1ccc(O)c(O)c1 ZINC001182155207 917692765 /nfs/dbraw/zinc/69/27/65/917692765.db2.gz DIEGYTJBGZYTAE-JTQLQIEISA-N 1 0 266.341 1.097 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)cc(O)c1O ZINC001204343510 917909894 /nfs/dbraw/zinc/90/98/94/917909894.db2.gz SGWILJGHAZXHTP-ZYHUDNBSSA-N 1 0 281.352 1.699 20 10 CDCDRO Cc1ccncc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273783 936571130 /nfs/dbraw/zinc/57/11/30/936571130.db2.gz QEARLKHMQALLKZ-MRXNPFEDSA-N 1 0 298.390 1.886 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@H]4C[C@H]43)cc2)CC1 ZINC001139410948 936618206 /nfs/dbraw/zinc/61/82/06/936618206.db2.gz NBWRITQKURFQRG-SJORKVTESA-N 1 0 287.407 1.412 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000385297345 936625339 /nfs/dbraw/zinc/62/53/39/936625339.db2.gz JLCKXMZCYVNFLO-SKDRFNHKSA-N 1 0 282.771 1.848 20 10 CDCDRO CN1CC2(C1)CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140060037 936675413 /nfs/dbraw/zinc/67/54/13/936675413.db2.gz HSVWEYZTZDKEEW-UHFFFAOYSA-N 1 0 250.317 1.669 20 10 CDCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c1O ZINC001140180590 936684271 /nfs/dbraw/zinc/68/42/71/936684271.db2.gz JDMUHTNWKZIHHA-OCCSQVGLSA-N 1 0 274.364 1.529 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1O ZINC001140179838 936684533 /nfs/dbraw/zinc/68/45/33/936684533.db2.gz QASLLGLGWPSSJH-HNNXBMFYSA-N 1 0 290.407 1.916 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1 ZINC000398335616 936710529 /nfs/dbraw/zinc/71/05/29/936710529.db2.gz KITJNPDOUJVTHR-ZJUUUORDSA-N 1 0 264.325 1.188 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464200 936712497 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COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(OC)c1 ZINC001141031789 936795881 /nfs/dbraw/zinc/79/58/81/936795881.db2.gz LOFZORUTUUMHEN-TVQRCGJNSA-N 1 0 267.325 1.222 20 10 CDCDRO C[NH+](C)CCCN1CCN(Cc2c(O)cccc2F)CC1 ZINC001137838698 923040414 /nfs/dbraw/zinc/04/04/14/923040414.db2.gz HXQKJSARDMPNHT-UHFFFAOYSA-N 1 0 295.402 1.601 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1 ZINC001141160630 936822773 /nfs/dbraw/zinc/82/27/73/936822773.db2.gz GAUGTGNKEHAUKK-PHIMTYICSA-N 1 0 285.290 1.811 20 10 CDCDRO O=C(c1ccc(O)c(O)c1Cl)N1CC[N@@H+]2CC[C@H]2C1 ZINC001193232703 923552127 /nfs/dbraw/zinc/55/21/27/923552127.db2.gz NPLHBIRJCFPZGI-QMMMGPOBSA-N 1 0 282.727 1.281 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(N)cc2)C1 ZINC000851665052 927601105 /nfs/dbraw/zinc/60/11/05/927601105.db2.gz PEMAHCDLTRNHJV-OAHLLOKOSA-N 1 0 290.411 1.595 20 10 CDCDRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC001169586997 928238494 /nfs/dbraw/zinc/23/84/94/928238494.db2.gz OKUNYLKYOXGHRC-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO OC[C@]12C[C@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000783747086 937279711 /nfs/dbraw/zinc/27/97/11/937279711.db2.gz ZSESDZQKRZGXEX-GXFFZTMASA-N 1 0 253.729 1.860 20 10 CDCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)S(C)(=O)=O ZINC000697619652 937284521 /nfs/dbraw/zinc/28/45/21/937284521.db2.gz FJFMZESZXUCJSY-ZJUUUORDSA-N 1 0 257.355 1.476 20 10 CDCDRO CCn1cccc(C[NH2+]Cc2cccc(OC)c2O)c1=O ZINC000788524886 929543066 /nfs/dbraw/zinc/54/30/66/929543066.db2.gz XUQDFTYEUGTELU-UHFFFAOYSA-N 1 0 288.347 1.872 20 10 CDCDRO COC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000884485323 930582557 /nfs/dbraw/zinc/58/25/57/930582557.db2.gz UIXBORTXYRIHAO-AWEZNQCLSA-N 1 0 290.363 1.811 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@]12CCN(C)C2=O ZINC001274303421 931489164 /nfs/dbraw/zinc/48/91/64/931489164.db2.gz IINGXZJCMQSJAG-MRXNPFEDSA-N 1 0 274.364 1.897 20 10 CDCDRO Oc1ccccc1C[NH+]1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275266992 931718949 /nfs/dbraw/zinc/71/89/49/931718949.db2.gz HWBWJWZBUPASRA-UHFFFAOYSA-N 1 0 284.363 1.433 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144520445 931871444 /nfs/dbraw/zinc/87/14/44/931871444.db2.gz RCDOCAIDZDHYBI-CQSZACIVSA-N 1 0 281.308 1.188 20 10 CDCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)C1CCOCC1 ZINC001144509383 931876063 /nfs/dbraw/zinc/87/60/63/931876063.db2.gz VCXBPUCZMNICKS-UHFFFAOYSA-N 1 0 267.325 1.804 20 10 CDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1c(O)cc(O)cc1O ZINC001144514617 931877971 /nfs/dbraw/zinc/87/79/71/931877971.db2.gz MCZMGMXHRYHZCT-AOOOYVTPSA-N 1 0 264.325 1.082 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(O)c1 ZINC001144515373 931879665 /nfs/dbraw/zinc/87/96/65/931879665.db2.gz LRRJSVXQSQBIPZ-MRVPVSSYSA-N 1 0 285.340 1.833 20 10 CDCDRO CN1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516424 931881385 /nfs/dbraw/zinc/88/13/85/931881385.db2.gz YDHLDOKYXMEHFH-MFKMUULPSA-N 1 0 278.352 1.329 20 10 CDCDRO CN1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516425 931881483 /nfs/dbraw/zinc/88/14/83/931881483.db2.gz YDHLDOKYXMEHFH-ZWNOBZJWSA-N 1 0 278.352 1.329 20 10 CDCDRO O=C1CC[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H]2CCCN12 ZINC001144515906 931881504 /nfs/dbraw/zinc/88/15/04/931881504.db2.gz ITNYQXCUCPLYMS-SNVBAGLBSA-N 1 0 292.335 1.000 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CCOCC1 ZINC000036308643 933689335 /nfs/dbraw/zinc/68/93/35/933689335.db2.gz NKCZEPCPEPPEDU-UHFFFAOYSA-N 1 0 276.380 1.792 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000934945181 934003674 /nfs/dbraw/zinc/00/36/74/934003674.db2.gz XHRDBABSCSTUNH-GFCCVEGCSA-N 1 0 278.352 1.587 20 10 CDCDRO C[C@@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC001120576776 937812540 /nfs/dbraw/zinc/81/25/40/937812540.db2.gz NGANDKFLWIAKPZ-ZDUSSCGKSA-N 1 0 290.411 1.942 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@](C)(CO)C2)c1O ZINC001203584645 939694201 /nfs/dbraw/zinc/69/42/01/939694201.db2.gz FSPYXFCKMTYHOW-AWEZNQCLSA-N 1 0 251.326 1.605 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCN(C(C)=O)[C@@H](C)C2)c1O ZINC001203614599 939696854 /nfs/dbraw/zinc/69/68/54/939696854.db2.gz BBPMSCPFEAMPGP-LBPRGKRZSA-N 1 0 292.379 1.844 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1ccc(O)cc1O ZINC001204278262 939751340 /nfs/dbraw/zinc/75/13/40/939751340.db2.gz CCAFZNMDDDJIPO-UHFFFAOYSA-N 1 0 252.314 1.008 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(O)c(O)c(OC)c2)C[C@H]1C ZINC001204351527 939759977 /nfs/dbraw/zinc/75/99/77/939759977.db2.gz UHHARNANVLCJPP-LLVKDONJSA-N 1 0 280.368 1.632 20 10 CDCDRO [NH3+][C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205110514 939824273 /nfs/dbraw/zinc/82/42/73/939824273.db2.gz UQNHELRQLYZKAM-GFCCVEGCSA-N 1 0 264.325 1.404 20 10 CDCDRO COc1cc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)cc1O ZINC001205827958 939941626 /nfs/dbraw/zinc/94/16/26/939941626.db2.gz IIGYWEAZBJYJCT-CMPLNLGQSA-N 1 0 280.368 1.666 20 10 CDCDRO Oc1cc2c(cc1O)C[N@H+](CCN1CCOCC1)CCC2 ZINC001209293499 940456641 /nfs/dbraw/zinc/45/66/41/940456641.db2.gz RBHVOVNPDDCTGN-UHFFFAOYSA-N 1 0 292.379 1.178 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1O ZINC000401517915 940870869 /nfs/dbraw/zinc/87/08/69/940870869.db2.gz AEGJGSOTXSRXNA-RNCFNFMXSA-N 1 0 281.327 1.937 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2cc(OC)ccc2O)CC1 ZINC000307895155 940968255 /nfs/dbraw/zinc/96/82/55/940968255.db2.gz JTHGYWMMGVBZOC-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO O=c1cc2[nH]cnc(O[C@@H]3CCCC[NH2+]C3)c-2cc1O ZINC001217977594 941033224 /nfs/dbraw/zinc/03/32/24/941033224.db2.gz WHHDURRAVUOKOZ-SECBINFHSA-N 1 0 275.308 1.562 20 10 CDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCCc1cc(O)c(O)cc1O ZINC001220116127 941413797 /nfs/dbraw/zinc/41/37/97/941413797.db2.gz YNQOXSMZUHIOGZ-NSHDSACASA-N 1 0 296.367 1.096 20 10 CDCDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)c(O)c(O)c(O)c1O)C2 ZINC001226463720 942009617 /nfs/dbraw/zinc/00/96/17/942009617.db2.gz AQKDRYXDOGTHRC-JIGDXULJSA-N 1 0 297.307 1.219 20 10 CDCDRO NC(=O)[C@@H]1CC12C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001277458853 942633197 /nfs/dbraw/zinc/63/31/97/942633197.db2.gz XMXSHUSIKKNKLG-JTQLQIEISA-N 1 0 266.728 1.353 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(C)(C(N)=O)CC2)c1O ZINC001231593193 942937723 /nfs/dbraw/zinc/93/77/23/942937723.db2.gz QUANCKKQMKMAGB-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO Cc1cccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c1O ZINC001231594068 942938644 /nfs/dbraw/zinc/93/86/44/942938644.db2.gz CPXZMGAVRHQBHG-OAHLLOKOSA-N 1 0 287.363 1.664 20 10 CDCDRO Cc1cccc(C[NH+]2CCC3(CC2)CNC(=O)CO3)c1O ZINC001231594018 942939474 /nfs/dbraw/zinc/93/94/74/942939474.db2.gz RIBQDYXPBWTKHS-UHFFFAOYSA-N 1 0 290.363 1.182 20 10 CDCDRO CC[NH+]1CCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231633873 942948716 /nfs/dbraw/zinc/94/87/16/942948716.db2.gz BOXSYLYEAJWTLM-UHFFFAOYSA-N 1 0 266.341 1.244 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C)C2)c(O)c1 ZINC001277569038 943019051 /nfs/dbraw/zinc/01/90/51/943019051.db2.gz SSZLTOMTRVJUFJ-CYBMUJFWSA-N 1 0 274.364 1.611 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCCO1 ZINC001231847795 943029028 /nfs/dbraw/zinc/02/90/28/943029028.db2.gz DSOFOMVLRVZHQV-OAHLLOKOSA-N 1 0 293.363 1.773 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)C2)cc1Cl ZINC001232264203 943194292 /nfs/dbraw/zinc/19/42/92/943194292.db2.gz GBIRBQHPWDRZLM-SECBINFHSA-N 1 0 271.744 1.868 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(C)(O)CC2)c(O)c1 ZINC001232834968 943413198 /nfs/dbraw/zinc/41/31/98/943413198.db2.gz SJEHNYIHSLEGLR-UHFFFAOYSA-N 1 0 264.369 1.805 20 10 CDCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233009766 943460785 /nfs/dbraw/zinc/46/07/85/943460785.db2.gz ALFQNYUQSNHNPC-JTQLQIEISA-N 1 0 253.298 1.414 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1O ZINC001233482878 943590814 /nfs/dbraw/zinc/59/08/14/943590814.db2.gz FWMIKJDXJBXENB-HNNXBMFYSA-N 1 0 279.336 1.806 20 10 CDCDRO CCOC(=O)C1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483900 943593145 /nfs/dbraw/zinc/59/31/45/943593145.db2.gz QDLOGCXBLDUFTO-UHFFFAOYSA-N 1 0 295.335 1.579 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC(n3cnnc3)CC2)cc1O ZINC001233486377 943593919 /nfs/dbraw/zinc/59/39/19/943593919.db2.gz KZQGEMFXMLYJLY-UHFFFAOYSA-N 1 0 290.323 1.232 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC(C)(C)C[NH3+])c1 ZINC001263113006 943753077 /nfs/dbraw/zinc/75/30/77/943753077.db2.gz WTPVBDWWJYXWJN-SNVBAGLBSA-N 1 0 280.368 1.953 20 10 CDCDRO C[C@H](CC(=O)NCc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001263303728 943823314 /nfs/dbraw/zinc/82/33/14/943823314.db2.gz GGMAREPVXSKIQJ-TZMCWYRMSA-N 1 0 275.396 1.911 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235048886 944022773 /nfs/dbraw/zinc/02/27/73/944022773.db2.gz LRQYZBCNFUSTNQ-NWDGAFQWSA-N 1 0 282.771 1.990 20 10 CDCDRO COc1cc(N(C)C)ccc1CN(C)C[C@@H]1CCC[NH2+]1 ZINC001236119545 944407995 /nfs/dbraw/zinc/40/79/95/944407995.db2.gz IYEFYTZQIRGKTK-AWEZNQCLSA-N 1 0 277.412 1.945 20 10 CDCDRO Fc1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236282580 944442490 /nfs/dbraw/zinc/44/24/90/944442490.db2.gz CWRHUKSKXKYXAM-XJKSGUPXSA-N 1 0 291.370 1.066 20 10 CDCDRO Cc1cc(Br)c(O)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001236291631 944450002 /nfs/dbraw/zinc/45/00/02/944450002.db2.gz MJTXDAITZVAIEK-JQWIXIFHSA-N 1 0 297.196 1.867 20 10 CDCDRO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)cc2O)n1C ZINC000393227090 944485751 /nfs/dbraw/zinc/48/57/51/944485751.db2.gz YVKYXFLDIJDLKQ-JTQLQIEISA-N 1 0 260.341 1.988 20 10 CDCDRO COc1cc(C)c(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC001236807651 944576384 /nfs/dbraw/zinc/57/63/84/944576384.db2.gz HSYSFCUAELITFG-CQSZACIVSA-N 1 0 294.395 1.472 20 10 CDCDRO COCC[NH+](CCOC)Cc1c(C)cc(OC)cc1O ZINC001236818118 944580828 /nfs/dbraw/zinc/58/08/28/944580828.db2.gz IXBVZFKCGBDBDL-UHFFFAOYSA-N 1 0 283.368 1.804 20 10 CDCDRO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)CO)c(O)c1 ZINC001237048138 944645338 /nfs/dbraw/zinc/64/53/38/944645338.db2.gz AXYFNVDQYMYCNJ-CYBMUJFWSA-N 1 0 253.342 1.301 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001237487440 944815170 /nfs/dbraw/zinc/81/51/70/944815170.db2.gz ITYMALNVDAZJSK-OAHLLOKOSA-N 1 0 276.336 1.775 20 10 CDCDRO Cn1ccc2c1ncnc2-c1cnn(C2CC[NH2+]CC2)c1 ZINC001241772066 946457143 /nfs/dbraw/zinc/45/71/43/946457143.db2.gz COHJOLOVBWNOBF-UHFFFAOYSA-N 1 0 282.351 1.756 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)NCc1ccc(N)cc1 ZINC001262577044 946729921 /nfs/dbraw/zinc/72/99/21/946729921.db2.gz GFRLBNOKYFYMMY-UHFFFAOYSA-N 1 0 278.400 1.800 20 10 CDCDRO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000723706221 947825033 /nfs/dbraw/zinc/82/50/33/947825033.db2.gz WXOOECNNVMFFBL-BETUJISGSA-N 1 0 262.353 1.679 20 10 CDCDRO Oc1cc(Br)ccc1CN[C@H]1CCC[NH2+]C1 ZINC001246345123 948120074 /nfs/dbraw/zinc/12/00/74/948120074.db2.gz UUHMCWYYKLBJBV-NSHDSACASA-N 1 0 285.185 1.996 20 10 CDCDRO C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001256395066 948299847 /nfs/dbraw/zinc/29/98/47/948299847.db2.gz CTPLEULLLVYQHR-MEDUHNTESA-N 1 0 288.347 1.747 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC001249174092 949438672 /nfs/dbraw/zinc/43/86/72/949438672.db2.gz ZBLDSCWMBJMECY-GFCCVEGCSA-N 1 0 293.363 1.719 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+]2CC[C@H](OC)C2)c(O)c1 ZINC001249178417 949444610 /nfs/dbraw/zinc/44/46/10/949444610.db2.gz RBNJMFMEDMERDF-ZDUSSCGKSA-N 1 0 279.336 1.328 20 10 CDCDRO CC[N@H+](Cc1ccc(CC(=O)OC)cc1O)CC(C)(C)O ZINC001249207332 949460616 /nfs/dbraw/zinc/46/06/16/949460616.db2.gz BVVUVRCQMVWDEX-UHFFFAOYSA-N 1 0 295.379 1.701 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+]C[C@@H](O)c2ccccc2)cc1O ZINC001251977084 951020259 /nfs/dbraw/zinc/02/02/59/951020259.db2.gz UQMPACHYDWZBRX-HZPDHXFCSA-N 1 0 289.331 1.454 20 10 CDCDRO CCCCOC[C@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001252532481 951417570 /nfs/dbraw/zinc/41/75/70/951417570.db2.gz NVDIMKWPPYYCRK-GFCCVEGCSA-N 1 0 297.351 1.048 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC001328918094 955555158 /nfs/dbraw/zinc/55/51/58/955555158.db2.gz IFHZPPQVANNTJO-WFASDCNBSA-N 1 0 259.353 1.151 20 10 CDCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001308603635 956551243 /nfs/dbraw/zinc/55/12/43/956551243.db2.gz LGZRGNUQMRYOJJ-LLVKDONJSA-N 1 0 298.333 1.971 20 10 CDCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001308603636 956551369 /nfs/dbraw/zinc/55/13/69/956551369.db2.gz LGZRGNUQMRYOJJ-NSHDSACASA-N 1 0 298.333 1.971 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccccc1O ZINC001330706364 956580177 /nfs/dbraw/zinc/58/01/77/956580177.db2.gz QGSBLXPMDFXSMK-ZJUUUORDSA-N 1 0 250.298 1.493 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c(O)c1 ZINC001333352701 958277292 /nfs/dbraw/zinc/27/72/92/958277292.db2.gz MRHCDCKLLATHSC-AWEZNQCLSA-N 1 0 286.379 1.803 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1F ZINC001343408432 963972912 /nfs/dbraw/zinc/97/29/12/963972912.db2.gz YWDUPUFASIPURM-OUCADQQQSA-N 1 0 291.370 1.648 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CN(C)C(=O)O1)c1ccc(N(C)C)cc1 ZINC001347648641 965637610 /nfs/dbraw/zinc/63/76/10/965637610.db2.gz UKFBUWPWSFXVHR-FZMZJTMJSA-N 1 0 277.368 1.854 20 10 CDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N)cc1 ZINC001356619755 969443048 /nfs/dbraw/zinc/44/30/48/969443048.db2.gz SSFKIKGVCVLPKO-LBPRGKRZSA-N 1 0 278.400 1.798 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC001357465172 969596665 /nfs/dbraw/zinc/59/66/65/969596665.db2.gz ZZPORZJZKLQZMJ-JSGCOSHPSA-N 1 0 276.384 1.586 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1(C[NH3+])CC1 ZINC001577939445 1171775226 /nfs/dbraw/zinc/77/52/26/1171775226.db2.gz INGKCDJXFHCTGM-UHFFFAOYSA-N 1 0 283.368 1.623 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000179943940 342515120 /nfs/dbraw/zinc/51/51/20/342515120.db2.gz CNGAUWOUOIBTDI-AWEZNQCLSA-N 1 0 280.343 1.438 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000179943957 342515159 /nfs/dbraw/zinc/51/51/59/342515159.db2.gz CNGAUWOUOIBTDI-CQSZACIVSA-N 1 0 280.343 1.438 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@H]2CCOC2)c1O ZINC000093840144 260332126 /nfs/dbraw/zinc/33/21/26/260332126.db2.gz IFXYGNOBHLGFQS-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c(O)c1 ZINC000036793762 356884285 /nfs/dbraw/zinc/88/42/85/356884285.db2.gz DWEHATMDEKGMDI-MNOVXSKESA-N 1 0 250.342 1.828 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccccc1O ZINC000036794789 356884663 /nfs/dbraw/zinc/88/46/63/356884663.db2.gz SYKQWUHCGZPJKY-ZYHUDNBSSA-N 1 0 250.342 1.958 20 10 CDCDRO NC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179870174 357228201 /nfs/dbraw/zinc/22/82/01/357228201.db2.gz GOUBDNLCYBVMPG-UHFFFAOYSA-N 1 0 252.289 1.229 20 10 CDCDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000181468635 357350798 /nfs/dbraw/zinc/35/07/98/357350798.db2.gz MEORGDDBQMVMBA-LLVKDONJSA-N 1 0 277.368 1.854 20 10 CDCDRO Cc1cc(CN2CC[NH+](C[C@@H](C)O)CC2)ccc1N(C)C ZINC000294726476 199154066 /nfs/dbraw/zinc/15/40/66/199154066.db2.gz VZOXWFSJOAEDGV-OAHLLOKOSA-N 1 0 291.439 1.559 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1 ZINC000294884586 199231761 /nfs/dbraw/zinc/23/17/61/199231761.db2.gz VXOXKZUBIAEISK-INIZCTEOSA-N 1 0 278.396 1.726 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000364513519 358438798 /nfs/dbraw/zinc/43/87/98/358438798.db2.gz UXIMFRXNDMKTBK-HNNXBMFYSA-N 1 0 271.368 1.791 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1O ZINC000091986939 358534782 /nfs/dbraw/zinc/53/47/82/358534782.db2.gz IXMQTGNSTMSYEK-NSHDSACASA-N 1 0 251.326 1.942 20 10 CDCDRO CC(C)(O)C1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000297428657 200187401 /nfs/dbraw/zinc/18/74/01/200187401.db2.gz OFFWQWXJFWSZGS-UHFFFAOYSA-N 1 0 265.309 1.324 20 10 CDCDRO COCC[C@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297823362 200287052 /nfs/dbraw/zinc/28/70/52/200287052.db2.gz RLNAPYRXOLTZEF-WFASDCNBSA-N 1 0 265.353 1.757 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1F ZINC000271192969 364969948 /nfs/dbraw/zinc/96/99/48/364969948.db2.gz QDRMIKDCABKFDW-AWEZNQCLSA-N 1 0 296.386 1.865 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c1 ZINC000181232964 365025731 /nfs/dbraw/zinc/02/57/31/365025731.db2.gz ZQTZUOIAPROXSN-GFCCVEGCSA-N 1 0 278.352 1.210 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000273577843 365507857 /nfs/dbraw/zinc/50/78/57/365507857.db2.gz MBBUUYQKYLQZNM-WCBMZHEXSA-N 1 0 268.744 1.927 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)c(O)c1 ZINC000282325746 367832746 /nfs/dbraw/zinc/83/27/46/367832746.db2.gz LHKBBMCIQJTIJJ-RISCZKNCSA-N 1 0 292.379 1.938 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000247230829 377069756 /nfs/dbraw/zinc/06/97/56/377069756.db2.gz WHKUQZJOHJSEED-UKRRQHHQSA-N 1 0 293.363 1.781 20 10 CDCDRO Oc1cccc(Cl)c1CNc1cc2n(n1)CC[NH2+]C2 ZINC001580888722 1172566155 /nfs/dbraw/zinc/56/61/55/1172566155.db2.gz WZDHNOTVUYGEMW-UHFFFAOYSA-N 1 0 278.743 1.957 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1O ZINC000036933246 260052861 /nfs/dbraw/zinc/05/28/61/260052861.db2.gz DWJRVQMBGSEXHD-OLZOCXBDSA-N 1 0 264.369 1.764 20 10 CDCDRO CCOc1ccc(O)c(CN2CCNC(=O)[C@@H]2CC)c1 ZINC000093050607 390899533 /nfs/dbraw/zinc/89/95/33/390899533.db2.gz PDTSZQRRJMVDSY-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO Cc1nc(CN2CC[NH+](Cc3ccccc3O)CC2)no1 ZINC000179572822 391211442 /nfs/dbraw/zinc/21/14/42/391211442.db2.gz XWYTZRIQNRJJLU-UHFFFAOYSA-N 1 0 288.351 1.401 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000019899920 170911396 /nfs/dbraw/zinc/91/13/96/170911396.db2.gz SVIHVIKTPBTPEO-VHSXEESVSA-N 1 0 255.339 1.230 20 10 CDCDRO CCN(C(=O)c1cccc2c1CC[NH2+]C2)c1cnn(C)c1 ZINC000662833166 413568546 /nfs/dbraw/zinc/56/85/46/413568546.db2.gz ZVFGNVDPZQKTJO-UHFFFAOYSA-N 1 0 284.363 1.733 20 10 CDCDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363573 260094758 /nfs/dbraw/zinc/09/47/58/260094758.db2.gz IRYZOXRVOFPCAY-GFCCVEGCSA-N 1 0 257.337 1.996 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000230663245 262465984 /nfs/dbraw/zinc/46/59/84/262465984.db2.gz YYMAIIZEZUQQON-RYUDHWBXSA-N 1 0 253.342 1.749 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000187839695 263270321 /nfs/dbraw/zinc/27/03/21/263270321.db2.gz USEVQYNFGDPVQX-DIFFPNOSSA-N 1 0 255.383 1.899 20 10 CDCDRO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872104 278260667 /nfs/dbraw/zinc/26/06/67/278260667.db2.gz VKPDAWULDYRDIF-WMLDXEAASA-N 1 0 291.439 1.860 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(F)ccc1O ZINC000278730074 327188225 /nfs/dbraw/zinc/18/82/25/327188225.db2.gz JCHNBXYDTOJYLR-PKFCDNJMSA-N 1 0 269.316 1.722 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1c(O)cccc1Cl ZINC000219128278 329147510 /nfs/dbraw/zinc/14/75/10/329147510.db2.gz GCFXAEXKEROSTA-VIFPVBQESA-N 1 0 259.733 1.533 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1 ZINC000185002559 329264572 /nfs/dbraw/zinc/26/45/72/329264572.db2.gz FWRIRLDZRFLZDE-GFCCVEGCSA-N 1 0 292.379 1.633 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000187530462 329358952 /nfs/dbraw/zinc/35/89/52/329358952.db2.gz RSVPWQSQLDHFSW-HNNXBMFYSA-N 1 0 263.337 1.692 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667607 334384636 /nfs/dbraw/zinc/38/46/36/334384636.db2.gz MHUDNJVWODOPHY-DLBZAZTESA-N 1 0 289.423 1.705 20 10 CDCDRO CCc1cccc(C[NH2+]CCC(=O)NC(C)C)c1O ZINC000691437672 1162022822 /nfs/dbraw/zinc/02/28/22/1162022822.db2.gz LQXWSWIXCFQTMV-UHFFFAOYSA-N 1 0 264.369 1.959 20 10 CDCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000279880709 519553454 /nfs/dbraw/zinc/55/34/54/519553454.db2.gz UOJRUIUJNWOURE-OAHLLOKOSA-N 1 0 288.391 1.970 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000070810697 522200243 /nfs/dbraw/zinc/20/02/43/522200243.db2.gz BEYBGRDFUBUQOP-LBPRGKRZSA-N 1 0 265.332 1.260 20 10 CDCDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000278683000 522364900 /nfs/dbraw/zinc/36/49/00/522364900.db2.gz PDVRVVKPHUDCMH-ZBFHGGJFSA-N 1 0 277.364 1.905 20 10 CDCDRO COC(C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000188943648 522531398 /nfs/dbraw/zinc/53/13/98/522531398.db2.gz JODWTLHBZFRAQT-UHFFFAOYSA-N 1 0 294.395 1.574 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC)c1ccc(N(C)C)cc1 ZINC000291998359 522684692 /nfs/dbraw/zinc/68/46/92/522684692.db2.gz XJXGGFXXGQFKOG-FZMZJTMJSA-N 1 0 263.385 1.928 20 10 CDCDRO COC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H]1CCCO1 ZINC000278726652 522750839 /nfs/dbraw/zinc/75/08/39/522750839.db2.gz UAZWACWRSIFOQN-STQMWFEESA-N 1 0 281.352 1.684 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1cc(C)ccc1O ZINC000289428208 523698208 /nfs/dbraw/zinc/69/82/08/523698208.db2.gz KGSQLYSOIZWLLV-UHFFFAOYSA-N 1 0 266.385 1.711 20 10 CDCDRO CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC[NH+](C)CC1 ZINC000272366495 523771098 /nfs/dbraw/zinc/77/10/98/523771098.db2.gz CVTYEYILMHWZCV-GQCTYLIASA-N 1 0 290.363 1.664 20 10 CDCDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276627401 524228327 /nfs/dbraw/zinc/22/83/27/524228327.db2.gz SAEFFSUCKZVIRJ-SNVBAGLBSA-N 1 0 296.342 1.699 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000131189641 524378262 /nfs/dbraw/zinc/37/82/62/524378262.db2.gz USEVQYNFGDPVQX-PIGZYNQJSA-N 1 0 255.383 1.899 20 10 CDCDRO C[C@@H](CC[NH+](C)C)NC(=O)N(C)Cc1ccccc1O ZINC000299345849 524468609 /nfs/dbraw/zinc/46/86/09/524468609.db2.gz GQDUJHVOUCUYPH-LBPRGKRZSA-N 1 0 279.384 1.874 20 10 CDCDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C[NH+]1CCCC1 ZINC000276642405 524710281 /nfs/dbraw/zinc/71/02/81/524710281.db2.gz VBXWWDXSRZOPGE-JTQLQIEISA-N 1 0 296.342 1.699 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000280917305 524760443 /nfs/dbraw/zinc/76/04/43/524760443.db2.gz HAMVCUHWIREYCE-SNVBAGLBSA-N 1 0 299.392 1.629 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)CC(C)(CO)CO)c1 ZINC000093502838 525338923 /nfs/dbraw/zinc/33/89/23/525338923.db2.gz ASZDUEKBEHYHQX-UHFFFAOYSA-N 1 0 253.342 1.123 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC[NH2+]C[C@@H]2C(=O)[O-])cc1C ZINC001600286069 1174438757 /nfs/dbraw/zinc/43/87/57/1174438757.db2.gz JVNDUYKFNJIAJX-CYBMUJFWSA-N 1 0 278.352 1.258 20 10 CDCDRO COCCN1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732288578 575087126 /nfs/dbraw/zinc/08/71/26/575087126.db2.gz DPDZSTYKSJEPIQ-JTQLQIEISA-N 1 0 284.381 1.294 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)COC)ccc1OC ZINC000732672542 575093542 /nfs/dbraw/zinc/09/35/42/575093542.db2.gz REDVGIBMKWYGDS-MRXNPFEDSA-N 1 0 297.395 1.719 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cccc(C)c2O)CCCOC1 ZINC000770674791 575484321 /nfs/dbraw/zinc/48/43/21/575484321.db2.gz MKEGMEQYFZGLCR-INIZCTEOSA-N 1 0 293.363 1.903 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768218076 576265105 /nfs/dbraw/zinc/26/51/05/576265105.db2.gz YMYIKFVHAICKFZ-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000769468683 576357094 /nfs/dbraw/zinc/35/70/94/576357094.db2.gz OBJFUSIUXKEOAU-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO O=C(NCCC[NH+]1CCCCC1)c1c(F)ccc(O)c1O ZINC000763951449 576767925 /nfs/dbraw/zinc/76/79/25/576767925.db2.gz FJCUHDMYJBWCIW-UHFFFAOYSA-N 1 0 296.342 1.843 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(C)C2=O)c1 ZINC000748242782 576902753 /nfs/dbraw/zinc/90/27/53/576902753.db2.gz QJQVJYWELPNULJ-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000749130008 576936618 /nfs/dbraw/zinc/93/66/18/576936618.db2.gz OPGJGFBDEJZKKJ-QWHCGFSZSA-N 1 0 291.395 1.438 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1O ZINC000892050945 617443950 /nfs/dbraw/zinc/44/39/50/617443950.db2.gz JJYBGULMPUHNDP-CABZTGNLSA-N 1 0 263.341 1.490 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000130362145 617464191 /nfs/dbraw/zinc/46/41/91/617464191.db2.gz IDHBERLQCADWCU-CQSZACIVSA-N 1 0 293.436 1.593 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891566921 617481685 /nfs/dbraw/zinc/48/16/85/617481685.db2.gz UKLICIKERWUURP-MQMHXKEQSA-N 1 0 290.411 1.598 20 10 CDCDRO COc1ccc(C[N@@H+](CC(N)=O)CC(C)C)c(O)c1OC ZINC000891670743 617530952 /nfs/dbraw/zinc/53/09/52/617530952.db2.gz JAUFTBOEUDUTQF-UHFFFAOYSA-N 1 0 296.367 1.353 20 10 CDCDRO COC[C@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892733540 617675813 /nfs/dbraw/zinc/67/58/13/617675813.db2.gz WJOFRAWVEMOJBY-SNVBAGLBSA-N 1 0 269.341 1.782 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000892791962 617751519 /nfs/dbraw/zinc/75/15/19/617751519.db2.gz BWZHTIDCXNDRIB-FZMZJTMJSA-N 1 0 295.404 1.534 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1OC ZINC000893712254 617929059 /nfs/dbraw/zinc/92/90/59/617929059.db2.gz QOSRSVFXYZHLQX-JQWIXIFHSA-N 1 0 281.352 1.612 20 10 CDCDRO CC[S@](=O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892950265 617965382 /nfs/dbraw/zinc/96/53/82/617965382.db2.gz BRCYSBBTOCCSFI-IBGZPJMESA-N 1 0 287.381 1.268 20 10 CDCDRO COc1ccc(C[NH2+]CC2(CCO)CC2)c(O)c1OC ZINC000893725021 618003815 /nfs/dbraw/zinc/00/38/15/618003815.db2.gz ZMJLDEKIAQTCPG-UHFFFAOYSA-N 1 0 281.352 1.662 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000893998646 618240876 /nfs/dbraw/zinc/24/08/76/618240876.db2.gz LOGBRAVFACPSQO-UHFFFAOYSA-N 1 0 266.341 1.277 20 10 CDCDRO C[NH2+]CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841826690 618609133 /nfs/dbraw/zinc/60/91/33/618609133.db2.gz IFQWWTWWXKGISQ-UHFFFAOYSA-N 1 0 264.373 1.080 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+][C@H](C)[C@H]2C)c(O)c1 ZINC000843057009 618691398 /nfs/dbraw/zinc/69/13/98/618691398.db2.gz FBWDFFKWYPWUIZ-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO CCc1cccc(C[NH2+]C2(C)CN(C(=O)OC)C2)c1O ZINC000894542844 618952471 /nfs/dbraw/zinc/95/24/71/618952471.db2.gz PUFKPSCMDGZWRQ-UHFFFAOYSA-N 1 0 278.352 1.885 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1ccc(OC)c(OC)c1O ZINC000894591965 618984964 /nfs/dbraw/zinc/98/49/64/618984964.db2.gz JAQKEGCIWFJLJA-UHFFFAOYSA-N 1 0 282.340 1.107 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(=O)NC ZINC000894948862 619161233 /nfs/dbraw/zinc/16/12/33/619161233.db2.gz KGOHJLAWDINMMY-LLVKDONJSA-N 1 0 266.341 1.323 20 10 CDCDRO Cc1nnc(CN2CC[NH+](Cc3ccccc3O)CC2)[nH]1 ZINC000895267232 619506943 /nfs/dbraw/zinc/50/69/43/619506943.db2.gz RWZKCNTUGLHCEL-UHFFFAOYSA-N 1 0 287.367 1.137 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000895323179 619554147 /nfs/dbraw/zinc/55/41/47/619554147.db2.gz AFMMPUMHHPBVLL-JKSUJKDBSA-N 1 0 278.396 1.379 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC000897679383 621065911 /nfs/dbraw/zinc/06/59/11/621065911.db2.gz JUAXSUKOIDRTFR-PRHODGIISA-N 1 0 286.169 1.967 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC000897684435 621072241 /nfs/dbraw/zinc/07/22/41/621072241.db2.gz OYSIBEFBCCBQRY-PELKAZGASA-N 1 0 286.169 1.967 20 10 CDCDRO Cc1cc(Br)c(O)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000841044721 621586172 /nfs/dbraw/zinc/58/61/72/621586172.db2.gz GQEICWUGQOZQAR-JTQLQIEISA-N 1 0 285.185 1.915 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042544475 624494697 /nfs/dbraw/zinc/49/46/97/624494697.db2.gz XWLLTLJUKSCESQ-GHMZBOCLSA-N 1 0 250.342 1.756 20 10 CDCDRO CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(N)cc1 ZINC000903770208 626086661 /nfs/dbraw/zinc/08/66/61/626086661.db2.gz DWBNOSBSRVLZDC-HNNXBMFYSA-N 1 0 275.396 1.864 20 10 CDCDRO C[C@H](O)C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905703279 626932251 /nfs/dbraw/zinc/93/22/51/626932251.db2.gz HKSAPIVTIRQPIZ-WFASDCNBSA-N 1 0 265.401 1.326 20 10 CDCDRO COc1cc(O)c(CN[C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000841085433 628151813 /nfs/dbraw/zinc/15/18/13/628151813.db2.gz CFPXEXBYMQRSEP-CQSZACIVSA-N 1 0 280.368 1.640 20 10 CDCDRO c1cc(C[NH2+][C@H]2CCN(C3CC3)C2)cc2c1OCC2 ZINC000044687436 630553957 /nfs/dbraw/zinc/55/39/57/630553957.db2.gz DFXPGFUUHDVAMS-AWEZNQCLSA-N 1 0 258.365 1.948 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000793253371 1162405509 /nfs/dbraw/zinc/40/55/09/1162405509.db2.gz ALXXJAVJFZPQER-NSHDSACASA-N 1 0 263.337 1.869 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3O)C[C@@H]21 ZINC000793657799 1162436845 /nfs/dbraw/zinc/43/68/45/1162436845.db2.gz XPJNEDSMRGSFPQ-WDNDVIMCSA-N 1 0 275.348 1.860 20 10 CDCDRO CNC(=O)N1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231847861 1161015514 /nfs/dbraw/zinc/01/55/14/1161015514.db2.gz DYXSXOBDKQWQDI-UHFFFAOYSA-N 1 0 277.368 1.466 20 10 CDCDRO Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)c(O)c1 ZINC001605856174 1163693255 /nfs/dbraw/zinc/69/32/55/1163693255.db2.gz KWKSYQVNVNZYFN-UHFFFAOYSA-N 1 0 296.334 1.566 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000037187851 1165762304 /nfs/dbraw/zinc/76/23/04/1165762304.db2.gz HEJFYWYWQDZLSC-AAEUAGOBSA-N 1 0 282.409 1.590 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H](O)C2)cc1Cl ZINC000826044123 1166194799 /nfs/dbraw/zinc/19/47/99/1166194799.db2.gz ZGRGCCGRECBBSQ-LLVKDONJSA-N 1 0 271.744 1.547 20 10 CDCDRO C[NH2+]CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001578615990 1171962240 /nfs/dbraw/zinc/96/22/40/1171962240.db2.gz BVIRXJCVGVMYSS-UHFFFAOYSA-N 1 0 285.391 1.972 20 10 CDCDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001580175916 1172369491 /nfs/dbraw/zinc/36/94/91/1172369491.db2.gz JTTNVVUOIDWYMA-YNEHKIRRSA-N 1 0 290.363 1.226 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1O ZINC000824707938 735356917 /nfs/dbraw/zinc/35/69/17/735356917.db2.gz BSVDOEPSPAEGPS-RISCZKNCSA-N 1 0 281.352 1.542 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c(C)cccc1O ZINC000877562612 735495858 /nfs/dbraw/zinc/49/58/58/735495858.db2.gz XRDLRQCRZRYZRT-NSHDSACASA-N 1 0 286.397 1.118 20 10 CDCDRO CON1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000877596524 735536138 /nfs/dbraw/zinc/53/61/38/735536138.db2.gz NQTFNNNWWJESMC-UHFFFAOYSA-N 1 0 250.342 1.816 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NCC[NH2+]C2CC2)c1 ZINC000817953991 735773039 /nfs/dbraw/zinc/77/30/39/735773039.db2.gz UOPOXQFFYDMWLN-SNVBAGLBSA-N 1 0 250.342 1.803 20 10 CDCDRO COc1cc(O)c(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1OC ZINC000775986685 735830444 /nfs/dbraw/zinc/83/04/44/735830444.db2.gz RYAPJMKSKNWKML-NWDGAFQWSA-N 1 0 294.395 1.934 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCCn2cncn2)cc1OC ZINC000776175018 735846188 /nfs/dbraw/zinc/84/61/88/735846188.db2.gz VQUPQJFDIAVYCV-UHFFFAOYSA-N 1 0 292.339 1.181 20 10 CDCDRO COc1cc(O)c(CN(C)CCC[NH+](C)C)cc1OC ZINC000809729389 735875058 /nfs/dbraw/zinc/87/50/58/735875058.db2.gz GKVBDPJAFVJCMY-UHFFFAOYSA-N 1 0 282.384 1.793 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000830609325 735918776 /nfs/dbraw/zinc/91/87/76/735918776.db2.gz CSZBLZLWBXAEHA-TXEJJXNPSA-N 1 0 296.798 1.998 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CC[C@@H](C)O)CC2)cc1 ZINC000827468541 736030485 /nfs/dbraw/zinc/03/04/85/736030485.db2.gz UNUDGRCKONSSAL-CQSZACIVSA-N 1 0 278.396 1.978 20 10 CDCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120673 736031885 /nfs/dbraw/zinc/03/18/85/736031885.db2.gz AVDFMWPTIKNQJO-ZDUSSCGKSA-N 1 0 279.359 1.011 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2c(O)cccc2OC)CC1=O ZINC000846092527 736040241 /nfs/dbraw/zinc/04/02/41/736040241.db2.gz FHVKDJDOJONSGR-LLVKDONJSA-N 1 0 278.352 1.359 20 10 CDCDRO C[C@@H](NC(=O)C1=CC(=O)CS1)C1=CC[N@H+](C)CC1 ZINC000831937142 736198831 /nfs/dbraw/zinc/19/88/31/736198831.db2.gz RCOVCTUIPKGLFN-SECBINFHSA-N 1 0 266.366 1.834 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840940844 736317149 /nfs/dbraw/zinc/31/71/49/736317149.db2.gz HUPRVEARDQORTJ-ZDUSSCGKSA-N 1 0 252.358 1.158 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000876554998 736327393 /nfs/dbraw/zinc/32/73/93/736327393.db2.gz XKIZEFYDHNJIJG-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868366711 736342509 /nfs/dbraw/zinc/34/25/09/736342509.db2.gz VMVDXAJUWPGTDP-VXGBXAGGSA-N 1 0 289.379 1.989 20 10 CDCDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000840963480 733178335 /nfs/dbraw/zinc/17/83/35/733178335.db2.gz OEDCFEPFQHZCAI-GWCFXTLKSA-N 1 0 269.316 1.408 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846689331 733207571 /nfs/dbraw/zinc/20/75/71/733207571.db2.gz RIMZUAQEUGFNHI-BBRMVZONSA-N 1 0 273.380 1.399 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000877081632 733226853 /nfs/dbraw/zinc/22/68/53/733226853.db2.gz DYAICGUGOXFIIX-UHFFFAOYSA-N 1 0 283.393 1.615 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1COCCN1 ZINC000863650133 733231286 /nfs/dbraw/zinc/23/12/86/733231286.db2.gz OQVLLCZDWMATAR-AWEZNQCLSA-N 1 0 263.385 1.139 20 10 CDCDRO Cc1ccc(C(=O)OCCC[NH+](C)C)c(O)c1O ZINC000791813665 733251911 /nfs/dbraw/zinc/25/19/11/733251911.db2.gz FKQRTROIZWGBIG-UHFFFAOYSA-N 1 0 253.298 1.515 20 10 CDCDRO CCCN1C[C@@H](C[NH2+]Cc2ccccc2O)CC1=O ZINC000817410846 733270038 /nfs/dbraw/zinc/27/00/38/733270038.db2.gz INFOMGDBVFEMAE-GFCCVEGCSA-N 1 0 262.353 1.740 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCN1CCCO ZINC000824559591 733273299 /nfs/dbraw/zinc/27/32/99/733273299.db2.gz VWXMDBREDRUJFZ-CYBMUJFWSA-N 1 0 294.395 1.337 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000817939563 733315313 /nfs/dbraw/zinc/31/53/13/733315313.db2.gz COVDUSDHLBEFNM-DUVNUKRYSA-N 1 0 277.412 1.767 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825773736 733337514 /nfs/dbraw/zinc/33/75/14/733337514.db2.gz OOMXLDYUMBVMPW-NSHDSACASA-N 1 0 273.760 1.841 20 10 CDCDRO Cc1ccc(C[NH2+]CCNC(=O)C(C)C)c(O)c1 ZINC000876891931 733348608 /nfs/dbraw/zinc/34/86/08/733348608.db2.gz HLIFOCNGDJOSKN-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO CN(C)C(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000788021036 733363815 /nfs/dbraw/zinc/36/38/15/733363815.db2.gz WXCLTEPGCORCQI-UHFFFAOYSA-N 1 0 250.342 1.692 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCNC(=O)CC2)c1 ZINC000828682119 733377971 /nfs/dbraw/zinc/37/79/71/733377971.db2.gz IRKYPAPFQJLGFI-NEPJUHHUSA-N 1 0 292.379 1.968 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000094339022 733382977 /nfs/dbraw/zinc/38/29/77/733382977.db2.gz NWELMVBKDFDFAQ-JQWIXIFHSA-N 1 0 250.342 1.570 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NCCF ZINC000800292486 733386447 /nfs/dbraw/zinc/38/64/47/733386447.db2.gz RDQWBYYXQSUHMP-MRVPVSSYSA-N 1 0 274.723 1.609 20 10 CDCDRO CCOc1cccc(C[NH2+]CCc2ccnn2C)c1O ZINC000231032702 733410704 /nfs/dbraw/zinc/41/07/04/733410704.db2.gz ZBTJOZKQUINXOJ-UHFFFAOYSA-N 1 0 275.352 1.857 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000793229688 733415288 /nfs/dbraw/zinc/41/52/88/733415288.db2.gz BSEGDKCSHJQJRO-MLGOLLRUSA-N 1 0 293.363 1.781 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(CC(C)(C)O)CC1 ZINC000876680017 733435068 /nfs/dbraw/zinc/43/50/68/733435068.db2.gz WPRSIHTZEYCZTJ-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000249966110 733505792 /nfs/dbraw/zinc/50/57/92/733505792.db2.gz KBDGFZSFEUCXGX-CMPLNLGQSA-N 1 0 251.326 1.604 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000817968945 733514935 /nfs/dbraw/zinc/51/49/35/733514935.db2.gz ZUAWJBHZRJNERJ-LLVKDONJSA-N 1 0 290.363 1.749 20 10 CDCDRO COC1CCN(CC[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877158595 733516546 /nfs/dbraw/zinc/51/65/46/733516546.db2.gz VDCMBCDZTKNYMN-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CO)CCF)c(O)c1 ZINC000846097246 733556224 /nfs/dbraw/zinc/55/62/24/733556224.db2.gz OILIPPUDNGBCIC-LLVKDONJSA-N 1 0 257.305 1.601 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c(O)c1 ZINC000877112478 733559308 /nfs/dbraw/zinc/55/93/08/733559308.db2.gz WBAFKFQJQHIYJJ-GFCCVEGCSA-N 1 0 269.366 1.367 20 10 CDCDRO CN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809729958 733572939 /nfs/dbraw/zinc/57/29/39/733572939.db2.gz UTFUEXNQOHXLLG-UHFFFAOYSA-N 1 0 295.402 1.656 20 10 CDCDRO [NH3+]C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841028588 733610145 /nfs/dbraw/zinc/61/01/45/733610145.db2.gz PXOWFUFIJCVUQY-OAHLLOKOSA-N 1 0 293.386 1.489 20 10 CDCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819078160 733617240 /nfs/dbraw/zinc/61/72/40/733617240.db2.gz SILLHNOPUALTNB-AWEZNQCLSA-N 1 0 268.426 1.875 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000852802699 733645338 /nfs/dbraw/zinc/64/53/38/733645338.db2.gz RQGVLZHQOSQKIM-CABZTGNLSA-N 1 0 266.341 1.576 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000848414025 733646399 /nfs/dbraw/zinc/64/63/99/733646399.db2.gz HOFZSLFNPFXQSX-NSHDSACASA-N 1 0 295.358 1.091 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000228670871 733714138 /nfs/dbraw/zinc/71/41/38/733714138.db2.gz YGHFRAWMUOEYQN-LLVKDONJSA-N 1 0 298.770 1.813 20 10 CDCDRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000178812611 733762562 /nfs/dbraw/zinc/76/25/62/733762562.db2.gz WUDWGQIOZVUCSL-LLVKDONJSA-N 1 0 261.369 1.397 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826084112 733850095 /nfs/dbraw/zinc/85/00/95/733850095.db2.gz UBWCHISIVFLKMG-VIFPVBQESA-N 1 0 270.760 1.968 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000775393414 733856719 /nfs/dbraw/zinc/85/67/19/733856719.db2.gz LXJFINAZHFAXCB-AWEZNQCLSA-N 1 0 296.436 1.728 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000226586227 733860775 /nfs/dbraw/zinc/86/07/75/733860775.db2.gz JXSCPZNAPMPEFX-SECBINFHSA-N 1 0 253.195 1.544 20 10 CDCDRO CCCCNC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000850587327 733863486 /nfs/dbraw/zinc/86/34/86/733863486.db2.gz WNXAXKLXECRNDY-AWEZNQCLSA-N 1 0 278.400 1.852 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000228098984 733869404 /nfs/dbraw/zinc/86/94/04/733869404.db2.gz YXEUFMLOJFAUDX-HNNXBMFYSA-N 1 0 262.353 1.659 20 10 CDCDRO CC1(C)CN(Cc2cc(F)ccc2O)CC[N@@H+]1CCO ZINC000783714186 733869712 /nfs/dbraw/zinc/86/97/12/733869712.db2.gz PBHPOGXVDIHJRJ-UHFFFAOYSA-N 1 0 282.359 1.420 20 10 CDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000841058506 733899820 /nfs/dbraw/zinc/89/98/20/733899820.db2.gz IEIPKBILJFJUOG-RISCZKNCSA-N 1 0 265.376 1.979 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000817966013 733909023 /nfs/dbraw/zinc/90/90/23/733909023.db2.gz ZEIGGCUPTBHOTR-NOZJJQNGSA-N 1 0 278.352 1.567 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000848907598 733909678 /nfs/dbraw/zinc/90/96/78/733909678.db2.gz FYQDRVDFGFKEGJ-LSDHHAIUSA-N 1 0 279.380 1.689 20 10 CDCDRO CCCC[C@@H](C[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841956115 733917570 /nfs/dbraw/zinc/91/75/70/733917570.db2.gz VOFLZKKQLRHMOJ-AWEZNQCLSA-N 1 0 278.400 1.628 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000840916587 733919954 /nfs/dbraw/zinc/91/99/54/733919954.db2.gz BQGJZSUHSFYPJO-INIZCTEOSA-N 1 0 278.396 1.908 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000839195605 734002030 /nfs/dbraw/zinc/00/20/30/734002030.db2.gz LLNVVTODQJVMNP-VIFPVBQESA-N 1 0 252.289 1.147 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1ccc(C)cc1O ZINC000877525697 734037798 /nfs/dbraw/zinc/03/77/98/734037798.db2.gz LKWHUWCXGQGABS-UHFFFAOYSA-N 1 0 266.385 1.711 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c(O)c1 ZINC000818000053 734061511 /nfs/dbraw/zinc/06/15/11/734061511.db2.gz DURAFLFDANLFGS-HZMBPMFUSA-N 1 0 280.368 1.636 20 10 CDCDRO Oc1cc2c(cc1C[NH+](C1CC1)C1CC1)[C@@H](O)CO2 ZINC000863303210 734096361 /nfs/dbraw/zinc/09/63/61/734096361.db2.gz WEHCXPWJXOPAMH-AWEZNQCLSA-N 1 0 261.321 1.945 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877549892 734102672 /nfs/dbraw/zinc/10/26/72/734102672.db2.gz JUGRQDDCOVNLTM-INIZCTEOSA-N 1 0 290.407 1.868 20 10 CDCDRO C[N@H+](CCC(=O)N1CCOCC1)Cc1ccccc1O ZINC000109771490 734123380 /nfs/dbraw/zinc/12/33/80/734123380.db2.gz PGEHZZHPNBLLPA-UHFFFAOYSA-N 1 0 278.352 1.073 20 10 CDCDRO Nc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000832243963 734214483 /nfs/dbraw/zinc/21/44/83/734214483.db2.gz BGGWNYUJQDALJX-VIFPVBQESA-N 1 0 271.324 1.321 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000825158708 734219922 /nfs/dbraw/zinc/21/99/22/734219922.db2.gz WWFHQOLAWHEPEF-CQSZACIVSA-N 1 0 285.771 1.876 20 10 CDCDRO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[NH3+])cc1 ZINC000076822619 734234611 /nfs/dbraw/zinc/23/46/11/734234611.db2.gz KMSMTFBEFHCDPH-OAHLLOKOSA-N 1 0 291.395 1.219 20 10 CDCDRO C[C@H](C[NH3+])C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841049225 734244502 /nfs/dbraw/zinc/24/45/02/734244502.db2.gz OMWVXEQKJIYVQY-MRVPVSSYSA-N 1 0 273.174 1.839 20 10 CDCDRO CO[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000191203164 734248264 /nfs/dbraw/zinc/24/82/64/734248264.db2.gz ZBUBJNRKIKNAAO-CYBMUJFWSA-N 1 0 264.369 1.648 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000848926709 734253168 /nfs/dbraw/zinc/25/31/68/734253168.db2.gz WXLAFVRKGQOTNX-AWEZNQCLSA-N 1 0 299.422 1.837 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088574 734271064 /nfs/dbraw/zinc/27/10/64/734271064.db2.gz JIFLUXBPHOYLDW-QWRGUYRKSA-N 1 0 290.363 1.815 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](C)O ZINC000824921644 734301286 /nfs/dbraw/zinc/30/12/86/734301286.db2.gz OPDRDBSUVYYMHH-SWLSCSKDSA-N 1 0 296.386 1.911 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3OCC[C@@H]3C1)[C@@H](O)CO2 ZINC000842624677 734333368 /nfs/dbraw/zinc/33/33/68/734333368.db2.gz GLKGBWJNEHJZPV-ONERCXAPSA-N 1 0 291.347 1.429 20 10 CDCDRO C[NH2+]C[C@H](C)NCc1cc(Cl)cc(OC)c1O ZINC000853249097 734346205 /nfs/dbraw/zinc/34/62/05/734346205.db2.gz NEQHSMDVJPIIAF-QMMMGPOBSA-N 1 0 258.749 1.752 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000391601852 734354955 /nfs/dbraw/zinc/35/49/55/734354955.db2.gz JZIDJKZCSZKRHZ-NSHDSACASA-N 1 0 252.289 1.242 20 10 CDCDRO COc1ccc(CNC(=O)C[NH2+]C(C)C)c(O)c1 ZINC000852825631 734363948 /nfs/dbraw/zinc/36/39/48/734363948.db2.gz LZMAZBVCNIAQSM-UHFFFAOYSA-N 1 0 252.314 1.015 20 10 CDCDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccccc1O ZINC000927083098 734371285 /nfs/dbraw/zinc/37/12/85/734371285.db2.gz DRYVCYSETSYAMK-NEPJUHHUSA-N 1 0 251.326 1.848 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)c(O)c1 ZINC000877050131 734403761 /nfs/dbraw/zinc/40/37/61/734403761.db2.gz FRDOEXLIZWFEST-ZDUSSCGKSA-N 1 0 262.353 1.800 20 10 CDCDRO CCOc1ccccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000311913192 734438696 /nfs/dbraw/zinc/43/86/96/734438696.db2.gz CVRWEPPKONSWKH-CYBMUJFWSA-N 1 0 264.369 1.952 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000305976479 734454165 /nfs/dbraw/zinc/45/41/65/734454165.db2.gz ZYCJBVDTAAZOJJ-NSHDSACASA-N 1 0 259.733 1.533 20 10 CDCDRO CCCN(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785062 734470711 /nfs/dbraw/zinc/47/07/11/734470711.db2.gz LHLXXGJESVSVNI-AWEZNQCLSA-N 1 0 278.400 1.804 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccncc2)cc1 ZINC000832285220 734505257 /nfs/dbraw/zinc/50/52/57/734505257.db2.gz PUIWOGRFLBNGOG-OAHLLOKOSA-N 1 0 284.363 1.577 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000797416201 734505800 /nfs/dbraw/zinc/50/58/00/734505800.db2.gz YXKBVIPSBMBXTH-QGZVFWFLSA-N 1 0 299.374 1.898 20 10 CDCDRO Cc1ccc(C[NH2+]CCCCS(C)(=O)=O)c(O)c1 ZINC000877598508 734540201 /nfs/dbraw/zinc/54/02/01/734540201.db2.gz OHALJYGAXHXKGZ-UHFFFAOYSA-N 1 0 271.382 1.615 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000780893767 734553331 /nfs/dbraw/zinc/55/33/31/734553331.db2.gz ZWEJMAOHVJPHPI-RYUDHWBXSA-N 1 0 265.353 1.994 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000825942536 734653252 /nfs/dbraw/zinc/65/32/52/734653252.db2.gz BXMWEJWMQLRBSY-OAHLLOKOSA-N 1 0 279.359 1.413 20 10 CDCDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819095340 734671021 /nfs/dbraw/zinc/67/10/21/734671021.db2.gz FHGILRSEQQONQE-HNNXBMFYSA-N 1 0 278.421 1.876 20 10 CDCDRO CC(C)[C@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779522997 734696208 /nfs/dbraw/zinc/69/62/08/734696208.db2.gz XTNGYLWQKJBLMA-CFNZNRNTSA-N 1 0 292.379 1.813 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090951391 734724463 /nfs/dbraw/zinc/72/44/63/734724463.db2.gz VDRWVQGYZDQDRN-DOMZBBRYSA-N 1 0 266.385 1.801 20 10 CDCDRO CC1(C)OC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000230210799 734777577 /nfs/dbraw/zinc/77/75/77/734777577.db2.gz SGWNVXASLIMTMC-ZDUSSCGKSA-N 1 0 263.337 1.863 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(C)cc1O ZINC000794815306 734809739 /nfs/dbraw/zinc/80/97/39/734809739.db2.gz OMTOEMYNVMPVGE-ZBFHGGJFSA-N 1 0 278.396 1.808 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COCCO2)cc1Cl ZINC000825126691 734820791 /nfs/dbraw/zinc/82/07/91/734820791.db2.gz RZRLFEWYBCIZJB-LLVKDONJSA-N 1 0 271.744 1.859 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000717751250 734836750 /nfs/dbraw/zinc/83/67/50/734836750.db2.gz UKFCJFSARZMVBP-LLVKDONJSA-N 1 0 258.312 1.858 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000817996587 734838246 /nfs/dbraw/zinc/83/82/46/734838246.db2.gz KLFCCUXCNHMEPU-XPTSAGLGSA-N 1 0 278.352 1.705 20 10 CDCDRO CCOCCNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835763 734867122 /nfs/dbraw/zinc/86/71/22/734867122.db2.gz IZWAPHGIRRMMBJ-ZDUSSCGKSA-N 1 0 293.411 1.556 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000784548889 734874931 /nfs/dbraw/zinc/87/49/31/734874931.db2.gz KUEJQSZQLJKIHE-INIZCTEOSA-N 1 0 291.439 1.871 20 10 CDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000818215610 734895031 /nfs/dbraw/zinc/89/50/31/734895031.db2.gz KWNHTXQWHIUIGW-WCQYABFASA-N 1 0 260.337 1.234 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000827700011 734905644 /nfs/dbraw/zinc/90/56/44/734905644.db2.gz NXJGWVWPNUUKOU-IAQYHMDHSA-N 1 0 265.353 1.851 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000788536527 734919512 /nfs/dbraw/zinc/91/95/12/734919512.db2.gz PUEFYAHZRJNOHT-HZMBPMFUSA-N 1 0 267.325 1.030 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000230666920 734992180 /nfs/dbraw/zinc/99/21/80/734992180.db2.gz DUBJBPZGNRHFIT-NSHDSACASA-N 1 0 286.397 1.291 20 10 CDCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877049978 735010719 /nfs/dbraw/zinc/01/07/19/735010719.db2.gz WMLSAADOCAYHRS-ZWNOBZJWSA-N 1 0 255.383 1.903 20 10 CDCDRO OC[C@]1([C@@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)CCCO1 ZINC000816666299 735017244 /nfs/dbraw/zinc/01/72/44/735017244.db2.gz JOUHYNFRHLETKZ-HOTGVXAUSA-N 1 0 295.354 1.941 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CO)CC2CC2)cc1OC ZINC000776251802 735044894 /nfs/dbraw/zinc/04/48/94/735044894.db2.gz BDRSKQFIRIIQLK-LBPRGKRZSA-N 1 0 281.352 1.660 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCNC2=O)c1 ZINC000886745270 735062146 /nfs/dbraw/zinc/06/21/46/735062146.db2.gz SJDCAIFCXHEINN-NSHDSACASA-N 1 0 263.341 1.376 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000840935027 735177333 /nfs/dbraw/zinc/17/73/33/735177333.db2.gz BQWFWPPTTJNSPU-INIZCTEOSA-N 1 0 288.395 1.618 20 10 CDCDRO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1O ZINC000179893961 735236165 /nfs/dbraw/zinc/23/61/65/735236165.db2.gz REFMSUHUKIKIIN-NSHDSACASA-N 1 0 283.393 1.868 20 10 CDCDRO CN(Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1O ZINC000843357277 735602989 /nfs/dbraw/zinc/60/29/89/735602989.db2.gz GSTMXXPBIKSFAW-UHFFFAOYSA-N 1 0 276.340 1.601 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H](C)O ZINC000386694457 735606609 /nfs/dbraw/zinc/60/66/09/735606609.db2.gz LDUDWAKFFOJHOK-XJKSGUPXSA-N 1 0 278.396 1.772 20 10 CDCDRO CCCOc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1C ZINC000873149513 735634804 /nfs/dbraw/zinc/63/48/04/735634804.db2.gz UXJRJUNLVCRSFD-MRXNPFEDSA-N 1 0 292.423 1.940 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000877499251 735700985 /nfs/dbraw/zinc/70/09/85/735700985.db2.gz DIWPXWPTAODJQG-LLVKDONJSA-N 1 0 269.366 1.320 20 10 CDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000844177227 735715912 /nfs/dbraw/zinc/71/59/12/735715912.db2.gz CPTIWISLQULOSB-BXUZGUMPSA-N 1 0 293.386 1.896 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000720985096 735757699 /nfs/dbraw/zinc/75/76/99/735757699.db2.gz HIGWFMFFYNCVDC-GMTAPVOTSA-N 1 0 251.326 1.822 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000228356396 735844392 /nfs/dbraw/zinc/84/43/92/735844392.db2.gz WQKTXPQOJYDDIM-JTQLQIEISA-N 1 0 268.744 1.756 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831173147 735941341 /nfs/dbraw/zinc/94/13/41/735941341.db2.gz OAQHSNBOLPOFRJ-AWEZNQCLSA-N 1 0 289.379 1.676 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(O)c1 ZINC000799347938 736202037 /nfs/dbraw/zinc/20/20/37/736202037.db2.gz SLHAOQYWFPRMDX-YGRLFVJLSA-N 1 0 278.352 1.405 20 10 CDCDRO COCC[NH2+]CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178711120 736202399 /nfs/dbraw/zinc/20/23/99/736202399.db2.gz QAELJNFBASYATA-UHFFFAOYSA-N 1 0 291.395 1.139 20 10 CDCDRO C[N@H+](Cc1c([O-])ccc(Cl)c1F)[C@@]1(CO)CCOC1 ZINC000862426308 736248352 /nfs/dbraw/zinc/24/83/52/736248352.db2.gz DKDIAMHAPQHYFQ-CYBMUJFWSA-N 1 0 289.734 1.768 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000852807338 736259492 /nfs/dbraw/zinc/25/94/92/736259492.db2.gz SYHWQQUPFARRAL-CQSZACIVSA-N 1 0 263.385 1.675 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC001140178768 895201379 /nfs/dbraw/zinc/20/13/79/895201379.db2.gz XEDMFYYOASJXTD-AWEZNQCLSA-N 1 0 253.317 1.915 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000693621444 896971232 /nfs/dbraw/zinc/97/12/32/896971232.db2.gz SNHGLLWRZITNEW-BETUJISGSA-N 1 0 261.369 1.448 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@]23CCN(C)C3=O)c1O ZINC001272625833 914208144 /nfs/dbraw/zinc/20/81/44/914208144.db2.gz OUDUDMKFCNCDJS-MRXNPFEDSA-N 1 0 290.363 1.598 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c1O ZINC001140742199 898156607 /nfs/dbraw/zinc/15/66/07/898156607.db2.gz JVRWEGUXJBNKTO-GWCFXTLKSA-N 1 0 265.353 1.999 20 10 CDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000694323855 898264999 /nfs/dbraw/zinc/26/49/99/898264999.db2.gz QYOQQSODSURGOY-CVEARBPZSA-N 1 0 276.380 1.790 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000694602917 898579653 /nfs/dbraw/zinc/57/96/53/898579653.db2.gz DNTYBZHQDODDQM-ZDUSSCGKSA-N 1 0 299.392 1.458 20 10 CDCDRO CC(C)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000062736130 901538835 /nfs/dbraw/zinc/53/88/35/901538835.db2.gz ZLMKXZSPAIXKLM-UHFFFAOYSA-N 1 0 296.436 1.667 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)CC(C)(C)O)cc1C ZINC001126462413 904606128 /nfs/dbraw/zinc/60/61/28/904606128.db2.gz RCQMMBWLAFKHSI-UHFFFAOYSA-N 1 0 294.395 1.370 20 10 CDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)CC1=O ZINC001172025370 911134378 /nfs/dbraw/zinc/13/43/78/911134378.db2.gz FZRGFKTVDMEHJU-LLVKDONJSA-N 1 0 264.325 1.198 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172027178 911136198 /nfs/dbraw/zinc/13/61/98/911136198.db2.gz VIDRWLAEBWLMDK-CQSZACIVSA-N 1 0 274.364 1.977 20 10 CDCDRO CO[C@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001172917747 912058796 /nfs/dbraw/zinc/05/87/96/912058796.db2.gz PHYAARISVWLGQV-HUBLWGQQSA-N 1 0 281.352 1.678 20 10 CDCDRO O=c1[nH]ccc2c1CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204281897 916642079 /nfs/dbraw/zinc/64/20/79/916642079.db2.gz ZOURATWMFIDMDV-UHFFFAOYSA-N 1 0 272.304 1.757 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1Cl ZINC001206433138 916654522 /nfs/dbraw/zinc/65/45/22/916654522.db2.gz DFDZCVWRVPLGSF-ZJUUUORDSA-N 1 0 288.750 1.925 20 10 CDCDRO CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC001138131434 936476724 /nfs/dbraw/zinc/47/67/24/936476724.db2.gz ZRNKNOPXJDHNAT-BETUJISGSA-N 1 0 264.344 1.915 20 10 CDCDRO O=C1COCCN1C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203560898 918351222 /nfs/dbraw/zinc/35/12/22/918351222.db2.gz KBPCCBOSJZCSKA-UHFFFAOYSA-N 1 0 290.363 1.215 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c1O ZINC001203585667 919103957 /nfs/dbraw/zinc/10/39/57/919103957.db2.gz ROANJRAWUQCUSZ-DGCLKSJQSA-N 1 0 265.353 1.994 20 10 CDCDRO COC[C@H]1CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261299 936611722 /nfs/dbraw/zinc/61/17/22/936611722.db2.gz YFDNCRXTFPYKGW-CQSZACIVSA-N 1 0 294.395 1.683 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)ccc1N(C)C ZINC001139670363 936634463 /nfs/dbraw/zinc/63/44/63/936634463.db2.gz LICCGPJUDNOSQX-QGZVFWFLSA-N 1 0 287.407 1.773 20 10 CDCDRO C[NH+](C)CCCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055251 936674500 /nfs/dbraw/zinc/67/45/00/936674500.db2.gz PIYSVIDUQJSMLQ-UHFFFAOYSA-N 1 0 295.402 1.601 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1 ZINC001203684345 921046451 /nfs/dbraw/zinc/04/64/51/921046451.db2.gz SQRPUTGNJNOBIS-ZDUSSCGKSA-N 1 0 290.363 1.598 20 10 CDCDRO C[C@]1(CO)C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1O ZINC001140337992 936702990 /nfs/dbraw/zinc/70/29/90/936702990.db2.gz PYSJLTHPPKDJPQ-ZIAGYGMSSA-N 1 0 285.771 1.611 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c1O ZINC001140744394 936748950 /nfs/dbraw/zinc/74/89/50/936748950.db2.gz WFJJGBKRTDTSMX-CORIIIEPSA-N 1 0 293.363 1.378 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC001140749286 936749839 /nfs/dbraw/zinc/74/98/39/936749839.db2.gz VMRFZSQZRBLXNS-UHFFFAOYSA-N 1 0 279.336 1.745 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N(C)C)c(O)c1 ZINC001140855370 936764926 /nfs/dbraw/zinc/76/49/26/936764926.db2.gz WOPNHLTTWZCLBJ-UHFFFAOYSA-N 1 0 293.411 1.758 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001118031199 922866753 /nfs/dbraw/zinc/86/67/53/922866753.db2.gz AFDIACQTSVZDKU-QWRGUYRKSA-N 1 0 295.383 1.759 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@]23CCOC3)c(OC)c1 ZINC001141031160 936794778 /nfs/dbraw/zinc/79/47/78/936794778.db2.gz YIIIXDAVCZEPQP-OAHLLOKOSA-N 1 0 279.336 1.774 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC(C3COC3)C2)c(OC)c1 ZINC001141032325 936795654 /nfs/dbraw/zinc/79/56/54/936795654.db2.gz YILDDJPQRIKAJI-UHFFFAOYSA-N 1 0 279.336 1.488 20 10 CDCDRO COC(=O)[C@@H]1CCCN1Cc1cc(O)ccc1O ZINC001141156630 936821228 /nfs/dbraw/zinc/82/12/28/936821228.db2.gz OWULAKBEYRROCK-NSHDSACASA-N 1 0 251.282 1.235 20 10 CDCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141162593 936823490 /nfs/dbraw/zinc/82/34/90/936823490.db2.gz WRSPDIQWWCWEOI-KBPBESRZSA-N 1 0 276.380 1.871 20 10 CDCDRO COc1ccc(N(CC[NH3+])CCO)c2ccc(C)nc12 ZINC001163837261 924303227 /nfs/dbraw/zinc/30/32/27/924303227.db2.gz XLOXJPLQJHOITC-UHFFFAOYSA-N 1 0 275.352 1.309 20 10 CDCDRO CC[NH+](CC)CCCNC(=S)NCc1cccn1C ZINC001196696562 924961443 /nfs/dbraw/zinc/96/14/43/924961443.db2.gz HZUOUQINPPPSRT-UHFFFAOYSA-N 1 0 282.457 1.721 20 10 CDCDRO CCCC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001252077094 926299776 /nfs/dbraw/zinc/29/97/76/926299776.db2.gz DFRVNOIKBBGABE-BXUZGUMPSA-N 1 0 269.341 1.272 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000852855068 927895063 /nfs/dbraw/zinc/89/50/63/927895063.db2.gz VQAMMWKISOMRSM-JOCQHMNTSA-N 1 0 289.379 1.081 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)CC(=O)NC)c1O ZINC000691460035 928879543 /nfs/dbraw/zinc/87/95/43/928879543.db2.gz PCPZDIVZINHNGL-JTQLQIEISA-N 1 0 250.342 1.569 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000691501039 929064116 /nfs/dbraw/zinc/06/41/16/929064116.db2.gz SUPXWCJIOPOMDT-JTQLQIEISA-N 1 0 263.259 1.967 20 10 CDCDRO COCCOc1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170059301 929235052 /nfs/dbraw/zinc/23/50/52/929235052.db2.gz RIGKFBBOEXEHJD-UHFFFAOYSA-N 1 0 252.358 1.885 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863653618 929585172 /nfs/dbraw/zinc/58/51/72/929585172.db2.gz OJDKQPJNTKEWRU-LBPRGKRZSA-N 1 0 281.375 1.441 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)c2[nH]ccc21 ZINC001170995328 931196889 /nfs/dbraw/zinc/19/68/89/931196889.db2.gz KGMVBNFXRCBSTA-UHFFFAOYSA-N 1 0 291.351 1.505 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2c(O)cccc2OC)cn1 ZINC001116918987 937480650 /nfs/dbraw/zinc/48/06/50/937480650.db2.gz TWHVSNYUKBPWIX-UHFFFAOYSA-N 1 0 291.351 1.534 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(O)c1 ZINC001144499162 931858401 /nfs/dbraw/zinc/85/84/01/931858401.db2.gz CTDOLJURYXXSAK-STQMWFEESA-N 1 0 289.278 1.048 20 10 CDCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001144503995 931865039 /nfs/dbraw/zinc/86/50/39/931865039.db2.gz HMAOAQMFYQGWOG-MGCOHNPYSA-N 1 0 267.325 1.539 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCCCC23COC3)c(O)c1 ZINC001144509269 931874178 /nfs/dbraw/zinc/87/41/78/931874178.db2.gz RFNGACVIFKJLHX-UHFFFAOYSA-N 1 0 265.309 1.558 20 10 CDCDRO CN1C[C@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)[C@H]2C1 ZINC001144514696 931877020 /nfs/dbraw/zinc/87/70/20/931877020.db2.gz OYQGFKWWCDTUJS-MFKMUULPSA-N 1 0 278.352 1.329 20 10 CDCDRO CC[NH+](CC)[C@H]1CCN(Cc2c(O)cc(O)cc2O)C1 ZINC001144514862 931878920 /nfs/dbraw/zinc/87/89/20/931878920.db2.gz VLBJKRHQZFJWFE-NSHDSACASA-N 1 0 280.368 1.720 20 10 CDCDRO CN(C1CC1)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515213 931879445 /nfs/dbraw/zinc/87/94/45/931879445.db2.gz ICNOMYUWFBOVNC-LLVKDONJSA-N 1 0 278.352 1.472 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118179125 937598971 /nfs/dbraw/zinc/59/89/71/937598971.db2.gz LGOLNLZORSJZKG-WMLDXEAASA-N 1 0 289.423 1.835 20 10 CDCDRO C[NH2+]CCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001118241919 937607149 /nfs/dbraw/zinc/60/71/49/937607149.db2.gz RVWUMLWOXGJSIY-UHFFFAOYSA-N 1 0 294.418 1.229 20 10 CDCDRO COc1cc[nH+]c(NCCc2cc(O)c(O)cc2O)c1 ZINC001157239475 938468571 /nfs/dbraw/zinc/46/85/71/938468571.db2.gz DEXFKCCDRLREIE-UHFFFAOYSA-N 1 0 276.292 1.862 20 10 CDCDRO [NH3+][C@H](C(=O)N1CCc2cccc(O)c2C1)c1ccccc1 ZINC001160872343 938834981 /nfs/dbraw/zinc/83/49/81/938834981.db2.gz KAQXHHVUSXZPTR-INIZCTEOSA-N 1 0 282.343 1.977 20 10 CDCDRO Nc1ccc(CNc2cc(C3C[NH2+]C3)ncn2)cc1 ZINC001162789648 939139781 /nfs/dbraw/zinc/13/97/81/939139781.db2.gz JQVLWJIQZRZKKB-UHFFFAOYSA-N 1 0 255.325 1.358 20 10 CDCDRO CC(=O)O[C@H]1Cc2ccc(N3CC[C@@H]([NH3+])C3)cc2C1 ZINC001164280797 939445103 /nfs/dbraw/zinc/44/51/03/939445103.db2.gz HOVVGNZKIDNDGW-HIFRSBDPSA-N 1 0 260.337 1.254 20 10 CDCDRO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(O)c1 ZINC001203622298 939697339 /nfs/dbraw/zinc/69/73/39/939697339.db2.gz XJJPKSHJOPDGTK-DJSGYFEHSA-N 1 0 293.363 1.373 20 10 CDCDRO COc1ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c(O)c1 ZINC001203627628 939697837 /nfs/dbraw/zinc/69/78/37/939697837.db2.gz MBXKMPQEQCRZTG-SWLSCSKDSA-N 1 0 276.380 1.927 20 10 CDCDRO O=C1OCCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203879990 939710703 /nfs/dbraw/zinc/71/07/03/939710703.db2.gz HZUPDRGQDQTRCS-UHFFFAOYSA-N 1 0 277.320 1.627 20 10 CDCDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878760 939710916 /nfs/dbraw/zinc/71/09/16/939710916.db2.gz BKGLDLPQSZVRAO-UHFFFAOYSA-N 1 0 292.379 1.931 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(O)c(O)c2)[C@H](C)C1 ZINC001203883315 939711380 /nfs/dbraw/zinc/71/13/80/939711380.db2.gz HVTOMMDBAOYNQE-LLVKDONJSA-N 1 0 250.342 1.624 20 10 CDCDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204280599 939752833 /nfs/dbraw/zinc/75/28/33/939752833.db2.gz LGZWERQVMZUVCQ-LLVKDONJSA-N 1 0 279.336 1.873 20 10 CDCDRO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)cc(O)c1O ZINC001204342843 939756991 /nfs/dbraw/zinc/75/69/91/939756991.db2.gz NOJKXULZUVOVLD-LLVKDONJSA-N 1 0 267.325 1.717 20 10 CDCDRO CC[NH+](CC)CCN(C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340687 939757094 /nfs/dbraw/zinc/75/70/94/939757094.db2.gz YTAGGTYSVHVHHN-UHFFFAOYSA-N 1 0 282.384 1.880 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc(O)c1O ZINC001204344801 939758215 /nfs/dbraw/zinc/75/82/15/939758215.db2.gz ZBRZEBNOEUAGTL-GXSJLCMTSA-N 1 0 267.325 1.309 20 10 CDCDRO [NH3+][C@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@H]1F ZINC001204830485 939795927 /nfs/dbraw/zinc/79/59/27/939795927.db2.gz UTBFVQVHBRMGGU-BDAKNGLRSA-N 1 0 260.696 1.232 20 10 CDCDRO COc1cc(C)c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205889339 939951604 /nfs/dbraw/zinc/95/16/04/939951604.db2.gz ZNHJWNFBMVSIET-YGRLFVJLSA-N 1 0 264.369 1.878 20 10 CDCDRO COc1cc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)cc1O ZINC001206140519 939986005 /nfs/dbraw/zinc/98/60/05/939986005.db2.gz ZPZPDQJGBKCDCF-VIFPVBQESA-N 1 0 288.294 1.275 20 10 CDCDRO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]1CC[NH2+]1 ZINC001218583227 941241369 /nfs/dbraw/zinc/24/13/69/941241369.db2.gz PBRPUBHKUCWBNA-BZECFGQQSA-N 1 0 296.334 1.967 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@]2(C)CC[NH2+]C2)c(O)c1 ZINC001220825544 941475640 /nfs/dbraw/zinc/47/56/40/941475640.db2.gz LNYOXWXBPQBSAZ-OAHLLOKOSA-N 1 0 262.353 1.625 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)c(O)c(O)c1 ZINC001276830620 941603275 /nfs/dbraw/zinc/60/32/75/941603275.db2.gz QHNADWSNJZSLIA-YOGCLGLASA-N 1 0 278.352 1.518 20 10 CDCDRO Cc1cc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)ccc1N(C)C ZINC001276929071 941705060 /nfs/dbraw/zinc/70/50/60/941705060.db2.gz JWSMIRDBACSKER-CYBMUJFWSA-N 1 0 273.380 1.368 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)c1O ZINC001277451572 942595619 /nfs/dbraw/zinc/59/56/19/942595619.db2.gz GVDKUAOYUHVPPY-GFCCVEGCSA-N 1 0 290.363 1.488 20 10 CDCDRO CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]2C1 ZINC001231569359 942932343 /nfs/dbraw/zinc/93/23/43/942932343.db2.gz WUAPSJKWLFFTCX-OKILXGFUSA-N 1 0 290.363 1.474 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(NC(N)=O)CC2)c1O ZINC001231591208 942937965 /nfs/dbraw/zinc/93/79/65/942937965.db2.gz VXAINMVDJZCUCK-UHFFFAOYSA-N 1 0 263.341 1.333 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c(O)cc1O ZINC001231634395 942949063 /nfs/dbraw/zinc/94/90/63/942949063.db2.gz LVJJBRFTBNHOAV-PWSUYJOCSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c(O)cc1O ZINC001231633756 942949572 /nfs/dbraw/zinc/94/95/72/942949572.db2.gz WFNZZNMKPWIBLX-UHFFFAOYSA-N 1 0 294.395 1.880 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C2)CCOC[C@@H]3C(N)=O)c(O)c1 ZINC001277569351 943022946 /nfs/dbraw/zinc/02/29/46/943022946.db2.gz XPIDRTKONYSIBA-CYBMUJFWSA-N 1 0 290.363 1.024 20 10 CDCDRO COc1cc(N(C)C)ccc1C[NH+]1CC2(C1)CCOC2 ZINC001231849442 943029337 /nfs/dbraw/zinc/02/93/37/943029337.db2.gz SYCFLOHISXYQEP-UHFFFAOYSA-N 1 0 276.380 1.984 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232257328 943189875 /nfs/dbraw/zinc/18/98/75/943189875.db2.gz AOVOCOLFFOIXOS-SECBINFHSA-N 1 0 271.744 1.956 20 10 CDCDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010194 943460944 /nfs/dbraw/zinc/46/09/44/943460944.db2.gz NCZPIIJTHDVBON-LLVKDONJSA-N 1 0 267.325 1.804 20 10 CDCDRO Oc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc(O)c1O ZINC001233013296 943462040 /nfs/dbraw/zinc/46/20/40/943462040.db2.gz OSEMCWYZGFDHAS-CYBMUJFWSA-N 1 0 292.379 1.864 20 10 CDCDRO C[N@@H+]1CCCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233331619 943543187 /nfs/dbraw/zinc/54/31/87/943543187.db2.gz DIXOCDYEJGLFLB-UHFFFAOYSA-N 1 0 256.296 1.808 20 10 CDCDRO Oc1cc(O)c(CN2CC[NH+](C3CCCC3)CC2)cc1O ZINC001233485193 943592247 /nfs/dbraw/zinc/59/22/47/943592247.db2.gz MMEWAUCJAATUDJ-UHFFFAOYSA-N 1 0 292.379 1.864 20 10 CDCDRO C[C@@H](C[N+](C)(C)C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948812 943697865 /nfs/dbraw/zinc/69/78/65/943697865.db2.gz MNBUWHNKKQATRA-VIFPVBQESA-O 1 0 278.332 1.515 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC[C@H]3COCO3)cc2)CC1 ZINC001234658216 943931475 /nfs/dbraw/zinc/93/14/75/943931475.db2.gz XRVAUCZUHBVCID-MRXNPFEDSA-N 1 0 292.379 1.580 20 10 CDCDRO Oc1ccc(Cl)cc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235050456 944024214 /nfs/dbraw/zinc/02/42/14/944024214.db2.gz DIPAMIFZVAERRA-CQSZACIVSA-N 1 0 281.787 1.183 20 10 CDCDRO [O-]c1c(F)cc(Cl)cc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235063821 944037313 /nfs/dbraw/zinc/03/73/13/944037313.db2.gz QJPMHYQKCXODBI-AWEZNQCLSA-N 1 0 299.777 1.322 20 10 CDCDRO Oc1ccc(F)c(F)c1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235078977 944047699 /nfs/dbraw/zinc/04/76/99/944047699.db2.gz LZJHLWKJXWZOJY-GHMZBOCLSA-N 1 0 254.280 1.607 20 10 CDCDRO Oc1ccc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235123057 944063948 /nfs/dbraw/zinc/06/39/48/944063948.db2.gz XWAOWGOBXRJQFY-HNNXBMFYSA-N 1 0 262.353 1.816 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235157353 944073808 /nfs/dbraw/zinc/07/38/08/944073808.db2.gz CWKGUPWHBWUJPB-DOTOQJQBSA-N 1 0 287.407 1.446 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]([NH3+])C2)c(Cl)c1 ZINC001236174493 944423260 /nfs/dbraw/zinc/42/32/60/944423260.db2.gz SBJQZEFVLRBBPG-QMMMGPOBSA-N 1 0 256.733 1.587 20 10 CDCDRO Oc1c(CN2C[C@H]3C[NH2+]C[C@H]32)cccc1OC(F)(F)F ZINC001236298444 944457769 /nfs/dbraw/zinc/45/77/69/944457769.db2.gz UMISAFAJCISIIT-NXEZZACHSA-N 1 0 288.269 1.694 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001236783243 944566930 /nfs/dbraw/zinc/56/69/30/944566930.db2.gz IUHUZUATPSAARO-UONOGXRCSA-N 1 0 265.353 1.130 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(O)c1 ZINC001236784830 944569134 /nfs/dbraw/zinc/56/91/34/944569134.db2.gz BJRJBSJSRBRSRN-UKPHBRMFSA-N 1 0 291.391 1.926 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236895587 944611628 /nfs/dbraw/zinc/61/16/28/944611628.db2.gz TWAJTAMNMWHCAS-LBPRGKRZSA-N 1 0 289.423 1.870 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001237045911 944645914 /nfs/dbraw/zinc/64/59/14/944645914.db2.gz MWMOHEYTTLXGLQ-HUUCEWRRSA-N 1 0 279.380 1.691 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001237046631 944646683 /nfs/dbraw/zinc/64/66/83/944646683.db2.gz UFZNGNLUSNZHNP-HOCLYGCPSA-N 1 0 279.380 1.691 20 10 CDCDRO Oc1cc(O)c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237410294 944762464 /nfs/dbraw/zinc/76/24/64/944762464.db2.gz COEQQRICMAMGFM-JQWIXIFHSA-N 1 0 278.352 1.377 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001237496398 944817039 /nfs/dbraw/zinc/81/70/39/944817039.db2.gz YLUNUOBHWWTZHN-CYBMUJFWSA-N 1 0 274.364 1.897 20 10 CDCDRO COc1cc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c(OC)c1 ZINC001237675157 944919942 /nfs/dbraw/zinc/91/99/42/944919942.db2.gz AYBPVMJLWYAECM-UHFFFAOYSA-N 1 0 294.351 1.074 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CCO)CSC)c1O ZINC001331534323 946245282 /nfs/dbraw/zinc/24/52/82/946245282.db2.gz UBYUODUPKZKATO-LBPRGKRZSA-N 1 0 285.409 1.913 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1CC[C@@H](O)C1 ZINC001261791741 946280410 /nfs/dbraw/zinc/28/04/10/946280410.db2.gz ZKTYLNVPKDJFLH-MCIONIFRSA-N 1 0 290.407 1.905 20 10 CDCDRO O=C1NCCN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001262077557 946421104 /nfs/dbraw/zinc/42/11/04/946421104.db2.gz HTAYELJMBUBRKK-UHFFFAOYSA-N 1 0 288.395 1.402 20 10 CDCDRO COC1CCC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001255450388 947912461 /nfs/dbraw/zinc/91/24/61/947912461.db2.gz XYFPZYLTKQKTLJ-UHFFFAOYSA-N 1 0 279.336 1.828 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1 ZINC001246311550 948100343 /nfs/dbraw/zinc/10/03/43/948100343.db2.gz PNDYHXIHZHACRS-ZFWWWQNUSA-N 1 0 291.395 1.136 20 10 CDCDRO Cc1cc(C)c(C[NH2+]C2CCS(=O)(=O)CC2)c(O)c1 ZINC001256380215 948292677 /nfs/dbraw/zinc/29/26/77/948292677.db2.gz KSYZVPRXDNADHS-UHFFFAOYSA-N 1 0 283.393 1.676 20 10 CDCDRO C[C@@H](Cc1ccncc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001256724605 948408879 /nfs/dbraw/zinc/40/88/79/948408879.db2.gz YMKRBOLTQKWNST-NSHDSACASA-N 1 0 286.331 1.896 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001257043631 948495786 /nfs/dbraw/zinc/49/57/86/948495786.db2.gz XSQIVPZUDQZQSI-JQWIXIFHSA-N 1 0 279.336 1.919 20 10 CDCDRO C[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C[C@@H](O)CO ZINC001249230303 949474213 /nfs/dbraw/zinc/47/42/13/949474213.db2.gz BQSTYAQCEDQVFW-GFCCVEGCSA-N 1 0 293.363 1.361 20 10 CDCDRO COC(=O)[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001252437578 951271064 /nfs/dbraw/zinc/27/10/64/951271064.db2.gz UNRFQWCFWYCYFE-HNNXBMFYSA-N 1 0 292.379 1.300 20 10 CDCDRO CC(C)OC[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001252690176 951581924 /nfs/dbraw/zinc/58/19/24/951581924.db2.gz AZXQDEZONGJKEY-GFCCVEGCSA-N 1 0 269.341 1.016 20 10 CDCDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001327419251 954873539 /nfs/dbraw/zinc/87/35/39/954873539.db2.gz GYRBDHXFWIUWEL-CQSZACIVSA-N 1 0 287.407 1.997 20 10 CDCDRO C[NH+]1CC2(C1)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001329277540 955793704 /nfs/dbraw/zinc/79/37/04/955793704.db2.gz IYEXEFGLYOTLAN-HWKANZROSA-N 1 0 288.347 1.275 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@@H]2CCN(C)[C@H]2C)c(O)c1 ZINC001308945766 956602457 /nfs/dbraw/zinc/60/24/57/956602457.db2.gz GFWOOQCEDVCEPP-SMDDNHRTSA-N 1 0 264.369 1.891 20 10 CDCDRO COc1cc(C)cc(CNCc2csnn2)c1O ZINC001331581736 957150449 /nfs/dbraw/zinc/15/04/49/957150449.db2.gz HDJXOFUZFRLFQV-UHFFFAOYSA-N 1 0 265.338 1.851 20 10 CDCDRO Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c(O)c1O ZINC001320202843 959007145 /nfs/dbraw/zinc/00/71/45/959007145.db2.gz MRGFAQWKDAVULI-JTQLQIEISA-N 1 0 278.352 1.478 20 10 CDCDRO CN1CCCc2cc(CNC(=O)NCC3([NH3+])CC3)ccc21 ZINC001335398797 959774767 /nfs/dbraw/zinc/77/47/67/959774767.db2.gz RTRBQAYRRKDORF-UHFFFAOYSA-N 1 0 288.395 1.360 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C)c1ccccc1O ZINC001337942291 961531939 /nfs/dbraw/zinc/53/19/39/961531939.db2.gz ILIVTADQVDKBEH-GHMZBOCLSA-N 1 0 265.357 1.608 20 10 CDCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001347543237 965582553 /nfs/dbraw/zinc/58/25/53/965582553.db2.gz YYPRWFXQAVAWNH-GFCCVEGCSA-N 1 0 278.352 1.588 20 10 CDCDRO CC1(C)CN(C(=O)NCc2ccc(N)cc2)CC[NH2+]1 ZINC001353539624 968057280 /nfs/dbraw/zinc/05/72/80/968057280.db2.gz OPGRURFDEIDMEY-UHFFFAOYSA-N 1 0 262.357 1.162 20 10 CDCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N)cc2)C1 ZINC001356583406 969437016 /nfs/dbraw/zinc/43/70/16/969437016.db2.gz FDQQXUPMTCIXCR-CQSZACIVSA-N 1 0 290.411 1.800 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC001514645993 976320433 /nfs/dbraw/zinc/32/04/33/976320433.db2.gz PBFSXRBFIBEEJK-OLZOCXBDSA-N 1 0 259.353 1.197 20 10 CDCDRO CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595222223 980057894 /nfs/dbraw/zinc/05/78/94/980057894.db2.gz CCOLTUJUHJCXTR-SCZZXKLOSA-N 1 0 252.314 1.478 20 10 CDCDRO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4ccncc43)c21 ZINC000592565880 342706741 /nfs/dbraw/zinc/70/67/41/342706741.db2.gz APTLRYVEBPQBPZ-GFCCVEGCSA-N 1 0 297.362 1.317 20 10 CDCDRO Cc1cccc(C[NH2+]CCN2CCC(O)CC2)c1O ZINC000294993517 199288985 /nfs/dbraw/zinc/28/89/85/199288985.db2.gz ZHRVOPJKROEZRG-UHFFFAOYSA-N 1 0 264.369 1.247 20 10 CDCDRO OC[C@@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)O1 ZINC000292622303 198354544 /nfs/dbraw/zinc/35/45/44/198354544.db2.gz IXFOMXUIJCYMOM-KGLIPLIRSA-N 1 0 263.337 1.251 20 10 CDCDRO COc1cccc(C[NH2+]CC2(O)CCOCC2)c1O ZINC000112717356 366126528 /nfs/dbraw/zinc/12/65/28/366126528.db2.gz GUYSHMPNWPLKMJ-UHFFFAOYSA-N 1 0 267.325 1.032 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000179643712 357217804 /nfs/dbraw/zinc/21/78/04/357217804.db2.gz FKWQQJTWYULSQP-LLVKDONJSA-N 1 0 279.336 1.786 20 10 CDCDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179895324 357229400 /nfs/dbraw/zinc/22/94/00/357229400.db2.gz RHBASPFFJHRIIM-GFCCVEGCSA-N 1 0 266.316 1.584 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180148466 357247517 /nfs/dbraw/zinc/24/75/17/357247517.db2.gz QBQDHYBVPMDQPK-NSHDSACASA-N 1 0 252.333 1.915 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000184545952 357487798 /nfs/dbraw/zinc/48/77/98/357487798.db2.gz YOSLKRFJWRCJRD-UHFFFAOYSA-N 1 0 265.401 1.156 20 10 CDCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000185364193 357536780 /nfs/dbraw/zinc/53/67/80/357536780.db2.gz MHWWTYPFBQYYNT-STQMWFEESA-N 1 0 295.402 1.818 20 10 CDCDRO Cc1cccc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1O ZINC000188748759 357933459 /nfs/dbraw/zinc/93/34/59/357933459.db2.gz JMHZIRNOVUVYQB-AWEZNQCLSA-N 1 0 292.423 1.978 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1OC ZINC000189965058 358046917 /nfs/dbraw/zinc/04/69/17/358046917.db2.gz GOGZXZJZMHLZBR-KBPBESRZSA-N 1 0 281.352 1.658 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(O)c1O ZINC001579663614 1172237087 /nfs/dbraw/zinc/23/70/87/1172237087.db2.gz BMEMTRVXXDKFDI-GHMZBOCLSA-N 1 0 264.325 1.406 20 10 CDCDRO CC[C@H](CO)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000294671028 199127779 /nfs/dbraw/zinc/12/77/79/199127779.db2.gz ANGPMQWFLMFKGK-LLVKDONJSA-N 1 0 269.341 1.612 20 10 CDCDRO C[C@H](c1nnnn1C1CC1)N(C)Cc1ccccc1O ZINC000192102805 358175597 /nfs/dbraw/zinc/17/55/97/358175597.db2.gz JPMQCZQBKQCNEI-SNVBAGLBSA-N 1 0 273.340 1.907 20 10 CDCDRO CNC(=O)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273366699 358704598 /nfs/dbraw/zinc/70/45/98/358704598.db2.gz BOFMPIIFMNNPLN-VIFPVBQESA-N 1 0 254.305 1.708 20 10 CDCDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825812 358733187 /nfs/dbraw/zinc/73/31/87/358733187.db2.gz GZQBENCRHLQLMF-AWEZNQCLSA-N 1 0 263.385 1.742 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000230663361 360336379 /nfs/dbraw/zinc/33/63/79/360336379.db2.gz WGAKKSAYBYWBKG-KOLCDFICSA-N 1 0 257.305 1.579 20 10 CDCDRO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C)c(C)n1-c1ccccn1 ZINC000125153671 360432841 /nfs/dbraw/zinc/43/28/41/360432841.db2.gz LZCBGAQTEBDTSR-CYBMUJFWSA-N 1 0 298.390 1.923 20 10 CDCDRO CN(C)c1ccc(C[NH2+]Cc2cnnn2C)cc1F ZINC000267502424 363835098 /nfs/dbraw/zinc/83/50/98/363835098.db2.gz HILIOBPOBLCYDP-UHFFFAOYSA-N 1 0 263.320 1.310 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271052402 364893521 /nfs/dbraw/zinc/89/35/21/364893521.db2.gz XCMKXCKJIYVPDJ-UHFFFAOYSA-N 1 0 293.386 1.850 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)O)CC2)cc1 ZINC000305080599 370850680 /nfs/dbraw/zinc/85/06/80/370850680.db2.gz QJNQIKUIGUMBIL-GFCCVEGCSA-N 1 0 264.369 1.634 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCCS(=O)(=O)C1 ZINC000284104553 368479144 /nfs/dbraw/zinc/47/91/44/368479144.db2.gz MRFSBQYDQCMQJG-GFCCVEGCSA-N 1 0 283.393 1.649 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)C[NH3+] ZINC000285659345 368649915 /nfs/dbraw/zinc/64/99/15/368649915.db2.gz IUITUKHJOIFSOV-LLVKDONJSA-N 1 0 250.342 1.726 20 10 CDCDRO COc1cc(O)c(CN(C)Cc2nncn2C)cc1OC ZINC000288550978 369467444 /nfs/dbraw/zinc/46/74/44/369467444.db2.gz ITZJXFNKLGKUAI-UHFFFAOYSA-N 1 0 292.339 1.170 20 10 CDCDRO CC(C)C(=O)NCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295950193 371402390 /nfs/dbraw/zinc/40/23/90/371402390.db2.gz LLORSJGAXTVDFU-GFCCVEGCSA-N 1 0 262.353 1.741 20 10 CDCDRO CNC(=O)C1C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000297479260 371995610 /nfs/dbraw/zinc/99/56/10/371995610.db2.gz TZWMMNFSQZNILB-UHFFFAOYSA-N 1 0 254.717 1.223 20 10 CDCDRO CNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298729010 372260667 /nfs/dbraw/zinc/26/06/67/372260667.db2.gz RJVDMQBDCWXJIG-UHFFFAOYSA-N 1 0 261.369 1.463 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCOCCO)c1 ZINC000186513999 262315748 /nfs/dbraw/zinc/31/57/48/262315748.db2.gz IOXCPLNUZXDEBD-NSHDSACASA-N 1 0 269.341 1.450 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(C)ccc1O ZINC000120306922 390868227 /nfs/dbraw/zinc/86/82/27/390868227.db2.gz HEZVMGVBHSSIOZ-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCN(C(C)=O)CC2)c1 ZINC000133279179 390903082 /nfs/dbraw/zinc/90/30/82/390903082.db2.gz YKRZVTIUBGIXNQ-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000122524689 390903220 /nfs/dbraw/zinc/90/32/20/390903220.db2.gz ZWOAFUZSKCXYCJ-UHFFFAOYSA-N 1 0 275.396 1.711 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cccc(OC)c1O ZINC000093717964 390903828 /nfs/dbraw/zinc/90/38/28/390903828.db2.gz SJOXRPCIRXZXHC-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCOC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000177635209 391173088 /nfs/dbraw/zinc/17/30/88/391173088.db2.gz LFZJPWZIYUSGPK-LLVKDONJSA-N 1 0 279.336 1.979 20 10 CDCDRO CCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1O ZINC000179576139 391212923 /nfs/dbraw/zinc/21/29/23/391212923.db2.gz SCTJYXKDDBSKGR-UHFFFAOYSA-N 1 0 269.341 1.614 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000168191211 391280721 /nfs/dbraw/zinc/28/07/21/391280721.db2.gz YNDLLXRSCJYQTN-HUTHGQBESA-N 1 0 257.355 1.257 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000195006891 391374335 /nfs/dbraw/zinc/37/43/35/391374335.db2.gz BGWABKITWHHUSW-ZANVPECISA-N 1 0 264.325 1.015 20 10 CDCDRO C[C@@H](O)CN1CC[N@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000284332123 391482400 /nfs/dbraw/zinc/48/24/00/391482400.db2.gz KUHHIEJUGIUWPL-CHWSQXEVSA-N 1 0 264.369 1.279 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1O ZINC000158135309 392421979 /nfs/dbraw/zinc/42/19/79/392421979.db2.gz ZIMBLQLNGZYLDE-CABCVRRESA-N 1 0 276.380 1.653 20 10 CDCDRO CC(C)C(=O)NCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362781 260094990 /nfs/dbraw/zinc/09/49/90/260094990.db2.gz RAGYKEVNCWOLAI-UHFFFAOYSA-N 1 0 262.353 1.483 20 10 CDCDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000072917089 260164668 /nfs/dbraw/zinc/16/46/68/260164668.db2.gz MTIJOQVNPROBRH-QWHCGFSZSA-N 1 0 290.363 1.789 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1F ZINC000157120389 261140808 /nfs/dbraw/zinc/14/08/08/261140808.db2.gz HUSFYKSUIYAFHW-LLVKDONJSA-N 1 0 265.332 1.199 20 10 CDCDRO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1O ZINC000185214134 262046536 /nfs/dbraw/zinc/04/65/36/262046536.db2.gz HHHAYFLWPGMPNH-LLVKDONJSA-N 1 0 250.342 1.944 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000185779863 262070773 /nfs/dbraw/zinc/07/07/73/262070773.db2.gz XWDUCUUMFQSBEG-CQSZACIVSA-N 1 0 290.363 1.942 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O ZINC000186089405 262079152 /nfs/dbraw/zinc/07/91/52/262079152.db2.gz VKHHEXYKRRDSKY-MWLCHTKSSA-N 1 0 278.327 1.945 20 10 CDCDRO CSCC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000131055832 264365905 /nfs/dbraw/zinc/36/59/05/264365905.db2.gz UPLCCINPHSDSOT-LLVKDONJSA-N 1 0 268.382 1.431 20 10 CDCDRO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)cc1 ZINC000048599667 424261456 /nfs/dbraw/zinc/26/14/56/424261456.db2.gz LATHYBUEQALYDS-LBPRGKRZSA-N 1 0 277.368 1.081 20 10 CDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000368134750 267147461 /nfs/dbraw/zinc/14/74/61/267147461.db2.gz NFRMSMLRQOBLEN-VIFPVBQESA-N 1 0 268.744 1.743 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000371326972 267390026 /nfs/dbraw/zinc/39/00/26/267390026.db2.gz LABQXJVSKQDJTL-RDJZCZTQSA-N 1 0 290.407 1.732 20 10 CDCDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168869270 327487797 /nfs/dbraw/zinc/48/77/97/327487797.db2.gz AXZXMKAQIQBIGX-IRWWLHRVSA-N 1 0 259.346 1.949 20 10 CDCDRO CC[C@@](C)(CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000080886465 330350173 /nfs/dbraw/zinc/35/01/73/330350173.db2.gz MXYLYANQRZKGHO-ZDUSSCGKSA-N 1 0 253.298 1.372 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000136195730 334149415 /nfs/dbraw/zinc/14/94/15/334149415.db2.gz MNMJTQHHFWMVKO-MRXNPFEDSA-N 1 0 275.396 1.901 20 10 CDCDRO CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278229446 521135274 /nfs/dbraw/zinc/13/52/74/521135274.db2.gz MMWTWJXAWLHGKD-UHFFFAOYSA-N 1 0 284.312 1.777 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000188501324 520201432 /nfs/dbraw/zinc/20/14/32/520201432.db2.gz UDTAXLMLRLNFGU-GHMZBOCLSA-N 1 0 280.368 1.918 20 10 CDCDRO CCOc1cccc(C[NH2+]CCS(=O)(=O)CC)c1O ZINC000069172933 521365968 /nfs/dbraw/zinc/36/59/68/521365968.db2.gz RECIJVXFINTXCB-UHFFFAOYSA-N 1 0 287.381 1.315 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccccc1O ZINC000068801432 522867532 /nfs/dbraw/zinc/86/75/32/522867532.db2.gz SEICTMSSDSEJQC-DZGCQCFKSA-N 1 0 277.412 1.679 20 10 CDCDRO CN(C)c1ccc(CNC(=O)/C=C/C[NH+](C)C)cc1 ZINC000265590114 524033937 /nfs/dbraw/zinc/03/39/37/524033937.db2.gz AUUVPNRWCUILRI-AATRIKPKSA-N 1 0 261.369 1.487 20 10 CDCDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880088 524792722 /nfs/dbraw/zinc/79/27/22/524792722.db2.gz SWZXYVCPMIYEMP-SNVBAGLBSA-N 1 0 275.308 1.496 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299546569 526753794 /nfs/dbraw/zinc/75/37/94/526753794.db2.gz WLRZPGNSSLTWNK-UONOGXRCSA-N 1 0 289.379 1.818 20 10 CDCDRO Nc1ccc(CCNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000262435689 527479066 /nfs/dbraw/zinc/47/90/66/527479066.db2.gz LLJIJQVIHNKZPH-UHFFFAOYSA-N 1 0 261.369 1.589 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732263836 575084692 /nfs/dbraw/zinc/08/46/92/575084692.db2.gz WGYHDRYPEPPFLK-SECBINFHSA-N 1 0 254.355 1.668 20 10 CDCDRO C[C@@H](NC(=S)NCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000774252910 575191383 /nfs/dbraw/zinc/19/13/83/575191383.db2.gz XPJGUGQARBNDNT-GFCCVEGCSA-N 1 0 294.468 1.839 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3cccnn3)cc2)CC1 ZINC000762643326 576660306 /nfs/dbraw/zinc/66/03/06/576660306.db2.gz FJWRDFFXFCXCFH-UHFFFAOYSA-N 1 0 283.379 1.841 20 10 CDCDRO CCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)NC)c(O)c1 ZINC000769570284 575360959 /nfs/dbraw/zinc/36/09/59/575360959.db2.gz YYTXRNWAVONANB-NSHDSACASA-N 1 0 280.368 1.605 20 10 CDCDRO CCOc1ccc(C[NH+]2CCN(C)CC2)c(O)c1 ZINC000771927713 575637922 /nfs/dbraw/zinc/63/79/22/575637922.db2.gz NBDIWELZKNVVNK-UHFFFAOYSA-N 1 0 250.342 1.538 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000765794794 576056252 /nfs/dbraw/zinc/05/62/52/576056252.db2.gz FQHMYQANNFTFEM-KBPBESRZSA-N 1 0 292.379 1.795 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c(O)c1 ZINC000768336302 576272059 /nfs/dbraw/zinc/27/20/59/576272059.db2.gz ACZZCOHBYBBITO-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1C ZINC000769205819 576337561 /nfs/dbraw/zinc/33/75/61/576337561.db2.gz ITCJFPCCJOFNIH-CQSZACIVSA-N 1 0 274.364 1.816 20 10 CDCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1O ZINC000769365137 576348584 /nfs/dbraw/zinc/34/85/84/576348584.db2.gz NGVMZBUNRDBKAJ-TXEJJXNPSA-N 1 0 262.353 1.881 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(OC(C)=O)CC1 ZINC000769427785 576353517 /nfs/dbraw/zinc/35/35/17/576353517.db2.gz XTVXESNMHHQGPJ-UHFFFAOYSA-N 1 0 279.336 1.928 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1C ZINC000762570245 576655295 /nfs/dbraw/zinc/65/52/95/576655295.db2.gz ZPGFBVYLVCVVNY-HNNXBMFYSA-N 1 0 264.369 1.165 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(OC)CCOCC1 ZINC000746755745 576790607 /nfs/dbraw/zinc/79/06/07/576790607.db2.gz TUDKOISDBCKSBG-UHFFFAOYSA-N 1 0 281.352 1.686 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(F)ccc1O ZINC000756616004 576997455 /nfs/dbraw/zinc/99/74/55/576997455.db2.gz YILIXKAAEMIXSN-YMTOWFKASA-N 1 0 279.315 1.649 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756660213 576999290 /nfs/dbraw/zinc/99/92/90/576999290.db2.gz LARWDZCIAHZMJK-YUMQZZPRSA-N 1 0 256.733 1.960 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756777037 577003617 /nfs/dbraw/zinc/00/36/17/577003617.db2.gz GAPWWPMTFYPQPD-PSASIEDQSA-N 1 0 275.295 1.718 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(C)ccc1O ZINC000757926497 577061390 /nfs/dbraw/zinc/06/13/90/577061390.db2.gz MAIIHPIALJMDFY-OAHLLOKOSA-N 1 0 281.352 1.758 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[NH2+]CCCC(=O)[O-])cc2)CC1 ZINC000813355019 598161696 /nfs/dbraw/zinc/16/16/96/598161696.db2.gz UUCINKBLCQIILZ-UHFFFAOYSA-N 1 0 291.395 1.393 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1O ZINC000892076694 617464889 /nfs/dbraw/zinc/46/48/89/617464889.db2.gz CKRLPSBNGQPUHL-NQBHXWOUSA-N 1 0 277.368 1.750 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1OC ZINC000892091972 617476173 /nfs/dbraw/zinc/47/61/73/617476173.db2.gz QKOKSMIABLHFBI-OAHLLOKOSA-N 1 0 281.352 1.756 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1O ZINC000892170192 617523255 /nfs/dbraw/zinc/52/32/55/617523255.db2.gz PYBNWPXADWDQIH-SRVKXCTJSA-N 1 0 277.368 1.880 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000840908795 617604569 /nfs/dbraw/zinc/60/45/69/617604569.db2.gz XTVHGELWOWINKU-CQSZACIVSA-N 1 0 275.396 1.758 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1O ZINC000892294546 617708286 /nfs/dbraw/zinc/70/82/86/617708286.db2.gz ZZYMQTAAWCSANS-TUAOUCFPSA-N 1 0 277.368 1.893 20 10 CDCDRO COc1ccc(C[NH2+]CC2(N(C)C)CCC2)c(O)c1OC ZINC000893887130 618143550 /nfs/dbraw/zinc/14/35/50/618143550.db2.gz WPAGQJPMXRBDNN-UHFFFAOYSA-N 1 0 294.395 1.983 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c(O)c1OC ZINC000893949445 618215801 /nfs/dbraw/zinc/21/58/01/618215801.db2.gz NQCDTRCVGWKZCT-ONGXEEELSA-N 1 0 267.325 1.365 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894083511 618345965 /nfs/dbraw/zinc/34/59/65/618345965.db2.gz FNFHPMVIFSYUFE-LLVKDONJSA-N 1 0 280.368 1.523 20 10 CDCDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817889997 618482792 /nfs/dbraw/zinc/48/27/92/618482792.db2.gz VXPHQMWPHMWNCM-LSDHHAIUSA-N 1 0 293.386 1.632 20 10 CDCDRO COc1cc(Cl)cc(CN[C@@H]2CC[NH2+]C2)c1O ZINC000841044832 618678650 /nfs/dbraw/zinc/67/86/50/618678650.db2.gz JNDKRZIAOSMTEQ-SNVBAGLBSA-N 1 0 256.733 1.506 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccnn2C)cc1 ZINC000841044117 618678665 /nfs/dbraw/zinc/67/86/65/618678665.db2.gz TUPBMCHBRXKMLN-OAHLLOKOSA-N 1 0 273.384 1.276 20 10 CDCDRO CC[C@H]([NH3+])C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841070205 618681434 /nfs/dbraw/zinc/68/14/34/618681434.db2.gz MLFAKESPANJRHQ-VIFPVBQESA-N 1 0 273.174 1.982 20 10 CDCDRO Cc1cccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843056970 618691375 /nfs/dbraw/zinc/69/13/75/618691375.db2.gz DKKYUYPTCPOFSA-DGCLKSJQSA-N 1 0 250.342 1.249 20 10 CDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000843056925 618691438 /nfs/dbraw/zinc/69/14/38/618691438.db2.gz CHDJOYQACWLBBM-LSDHHAIUSA-N 1 0 289.423 1.705 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(CO)CC2)c1O ZINC000894325542 618773729 /nfs/dbraw/zinc/77/37/29/618773729.db2.gz UEYDVGGOQXBIHC-UHFFFAOYSA-N 1 0 251.326 1.571 20 10 CDCDRO C[C@H](C[NH3+])N(C)C(=O)NCCCSc1nccs1 ZINC000841857697 618834277 /nfs/dbraw/zinc/83/42/77/618834277.db2.gz QRILYSGCCWFXGQ-SECBINFHSA-N 1 0 288.442 1.614 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(O)c1OC ZINC000894584934 618976569 /nfs/dbraw/zinc/97/65/69/618976569.db2.gz GUHFEOMVUGUTMO-GDNZZTSVSA-N 1 0 279.336 1.080 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1O ZINC000894887560 619123603 /nfs/dbraw/zinc/12/36/03/619123603.db2.gz FQWBFQQFBDPFJN-DOMZBBRYSA-N 1 0 295.379 1.850 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000895083235 619272583 /nfs/dbraw/zinc/27/25/83/619272583.db2.gz IMWIQDMJSFUDLC-ZYHUDNBSSA-N 1 0 251.326 1.976 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000896124651 619996292 /nfs/dbraw/zinc/99/62/92/619996292.db2.gz GXWAZHQSWVKULT-MNOVXSKESA-N 1 0 279.336 1.832 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000896387749 620082047 /nfs/dbraw/zinc/08/20/47/620082047.db2.gz UTGUPIGBAKHRNL-CYBMUJFWSA-N 1 0 263.337 1.895 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000896960614 620321694 /nfs/dbraw/zinc/32/16/94/620321694.db2.gz NKRCIRCJTQOENL-SNVBAGLBSA-N 1 0 267.300 1.916 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897261083 620449744 /nfs/dbraw/zinc/44/97/44/620449744.db2.gz BGVVWCSUEVWJLY-CQSZACIVSA-N 1 0 277.364 1.898 20 10 CDCDRO COc1cccc(CNC(=O)NCCC[NH2+]C(C)C)c1O ZINC000841934149 620587637 /nfs/dbraw/zinc/58/76/37/620587637.db2.gz PVOWIQUNEQZAFR-UHFFFAOYSA-N 1 0 295.383 1.588 20 10 CDCDRO CN(C)c1ccc([C@@H](C[NH2+]CC2(C)COC2)N(C)C)cc1 ZINC000902723552 625268856 /nfs/dbraw/zinc/26/88/56/625268856.db2.gz KJXYWMPSESHHMK-MRXNPFEDSA-N 1 0 291.439 1.981 20 10 CDCDRO CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(N)cc1 ZINC000903770209 626086527 /nfs/dbraw/zinc/08/65/27/626086527.db2.gz DWBNOSBSRVLZDC-OAHLLOKOSA-N 1 0 275.396 1.864 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC000915794283 631818732 /nfs/dbraw/zinc/81/87/32/631818732.db2.gz NTQITVIFXMQCDL-LBPRGKRZSA-N 1 0 251.326 1.666 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001170510381 1162689479 /nfs/dbraw/zinc/68/94/79/1162689479.db2.gz VHLUEUPSFDSELZ-GHMZBOCLSA-N 1 0 295.335 1.277 20 10 CDCDRO C[C@]1(CO)C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140057706 1158540152 /nfs/dbraw/zinc/54/01/52/1158540152.db2.gz KTUYEFSPYVHERQ-ZIAGYGMSSA-N 1 0 269.316 1.097 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000693874923 1159279565 /nfs/dbraw/zinc/27/95/65/1159279565.db2.gz ARUSGUCSIBCNSM-CQSZACIVSA-N 1 0 275.396 1.800 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OCCOC)cc2)CC1 ZINC000205362381 1159676089 /nfs/dbraw/zinc/67/60/89/1159676089.db2.gz NIVGKRGVLFDIEF-UHFFFAOYSA-N 1 0 264.369 1.854 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609777900 1165077221 /nfs/dbraw/zinc/07/72/21/1165077221.db2.gz XPDKCPAGBLMWQK-CIUDSAMLSA-N 1 0 252.314 1.477 20 10 CDCDRO COc1ccc(CN2CC[NH2+][C@@H](C)[C@H]2C)c(O)c1OC ZINC001579214049 1172117357 /nfs/dbraw/zinc/11/73/57/1172117357.db2.gz UVTAOTQQJRHBSD-WDEREUQCSA-N 1 0 280.368 1.592 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1F ZINC000841762054 738415078 /nfs/dbraw/zinc/41/50/78/738415078.db2.gz USBNRVPOERDYTH-GFCCVEGCSA-N 1 0 294.374 1.443 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000706734533 736408735 /nfs/dbraw/zinc/40/87/35/736408735.db2.gz SQQYSWKKTSWEGT-NILFDRSVSA-N 1 0 264.369 1.553 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841984509 736434015 /nfs/dbraw/zinc/43/40/15/736434015.db2.gz KRZCLAGECLPVNW-CYBMUJFWSA-N 1 0 292.427 1.892 20 10 CDCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778924216 736445385 /nfs/dbraw/zinc/44/53/85/736445385.db2.gz SZAPMKUPZICXNA-PHIMTYICSA-N 1 0 278.352 1.587 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@@H]1CO ZINC000877779906 736546703 /nfs/dbraw/zinc/54/67/03/736546703.db2.gz HXGSTRLQJHGWSH-HNNXBMFYSA-N 1 0 280.437 1.971 20 10 CDCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NCCF ZINC000800292487 736611398 /nfs/dbraw/zinc/61/13/98/736611398.db2.gz RDQWBYYXQSUHMP-QMMMGPOBSA-N 1 0 274.723 1.609 20 10 CDCDRO CCN(CC)c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000841078560 738455838 /nfs/dbraw/zinc/45/58/38/738455838.db2.gz VAVDHHVOVVDFBW-VIKVFOODSA-N 1 0 277.387 1.979 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779520491 736662353 /nfs/dbraw/zinc/66/23/53/736662353.db2.gz IEXUAJBHOSIPQS-CRALRDPISA-N 1 0 292.379 1.958 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3(F)CC3)cc2)CC1 ZINC000881853085 736703726 /nfs/dbraw/zinc/70/37/26/736703726.db2.gz IXERPDKZMNNQCH-UHFFFAOYSA-N 1 0 291.370 1.557 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH2+]C(C)(C)C2)c1 ZINC000395999768 736890351 /nfs/dbraw/zinc/89/03/51/736890351.db2.gz DBNLBTXZDYROSF-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1c(O)cccc1OC ZINC000850389919 736884567 /nfs/dbraw/zinc/88/45/67/736884567.db2.gz LDUPSILYLMKFBT-UHFFFAOYSA-N 1 0 268.313 1.189 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)C(=O)NC)c1 ZINC000825316827 736877047 /nfs/dbraw/zinc/87/70/47/736877047.db2.gz VKYWIWIXPXAMQN-GFCCVEGCSA-N 1 0 266.341 1.405 20 10 CDCDRO CCOCc1cc(C[NH2+]C/C=C\CO)ccc1OC ZINC000850357504 736969024 /nfs/dbraw/zinc/96/90/24/736969024.db2.gz LTZXMKKLMKEVLK-PLNGDYQASA-N 1 0 265.353 1.870 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851658960 737033606 /nfs/dbraw/zinc/03/36/06/737033606.db2.gz JFIFHBCACMXUGV-NEPJUHHUSA-N 1 0 278.400 1.721 20 10 CDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876584397 737070742 /nfs/dbraw/zinc/07/07/42/737070742.db2.gz WIELGBQPBZXAJK-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1=O ZINC000846094426 737143751 /nfs/dbraw/zinc/14/37/51/737143751.db2.gz TVTFCFCQZLAMRR-CQSZACIVSA-N 1 0 276.380 1.962 20 10 CDCDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776778390 737161638 /nfs/dbraw/zinc/16/16/38/737161638.db2.gz NCXAZDHHVJABJK-CYBMUJFWSA-N 1 0 295.346 1.979 20 10 CDCDRO CC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182440798 737195284 /nfs/dbraw/zinc/19/52/84/737195284.db2.gz GJFAKBVFOHYIBA-CQSZACIVSA-N 1 0 269.341 1.660 20 10 CDCDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000844187072 737202652 /nfs/dbraw/zinc/20/26/52/737202652.db2.gz COFAEUBDAWTFQL-GFCCVEGCSA-N 1 0 261.369 1.269 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000323023547 738482097 /nfs/dbraw/zinc/48/20/97/738482097.db2.gz JYROOYWIVXOYGO-NXEZZACHSA-N 1 0 266.341 1.576 20 10 CDCDRO COCCNCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000817965455 738482793 /nfs/dbraw/zinc/48/27/93/738482793.db2.gz VCQOOBGRSRGIIO-CYBMUJFWSA-N 1 0 266.385 1.896 20 10 CDCDRO CCOc1ccc(O)c(CNCc2cn(CC)nn2)c1 ZINC000850366412 737290391 /nfs/dbraw/zinc/29/03/91/737290391.db2.gz ZFGMGPVPQCPLTJ-UHFFFAOYSA-N 1 0 276.340 1.692 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1ccc(N(C)C)cc1 ZINC000093415885 737236939 /nfs/dbraw/zinc/23/69/39/737236939.db2.gz MLEUZGGFPZNKCF-UHFFFAOYSA-N 1 0 294.395 1.764 20 10 CDCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944257 737446303 /nfs/dbraw/zinc/44/63/03/737446303.db2.gz YNQMTKDYVOHDKG-SWLSCSKDSA-N 1 0 287.411 1.837 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)CC2([NH3+])CCC2)cc1 ZINC000094294396 737478615 /nfs/dbraw/zinc/47/86/15/737478615.db2.gz DTVILTZVXRDNAQ-UHFFFAOYSA-N 1 0 275.396 1.983 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC000704374477 737536974 /nfs/dbraw/zinc/53/69/74/737536974.db2.gz AADHTQRVPBFIKS-GXFFZTMASA-N 1 0 278.352 1.672 20 10 CDCDRO CN(C)c1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1 ZINC000841085409 737570029 /nfs/dbraw/zinc/57/00/29/737570029.db2.gz BHZJWGDGXOHNDR-OAHLLOKOSA-N 1 0 263.385 1.221 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[NH2+]C3(C(=O)[O-])CC3)cc2)CC1 ZINC000789896949 737591624 /nfs/dbraw/zinc/59/16/24/737591624.db2.gz BDQMEDIHSSGTIW-UHFFFAOYSA-N 1 0 289.379 1.145 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1C ZINC000069142124 737593328 /nfs/dbraw/zinc/59/33/28/737593328.db2.gz QJEZZVQAUQFGAD-ZDUSSCGKSA-N 1 0 283.393 1.670 20 10 CDCDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@H]1CCCO1 ZINC000877490049 737607537 /nfs/dbraw/zinc/60/75/37/737607537.db2.gz SRNNHEBEILTVOI-UKRRQHHQSA-N 1 0 265.353 1.984 20 10 CDCDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@H]2N1 ZINC000827141159 737607683 /nfs/dbraw/zinc/60/76/83/737607683.db2.gz PQNNGGNJTLSZJH-DGCLKSJQSA-N 1 0 260.337 1.493 20 10 CDCDRO COc1cc(O)c(C[NH2+]C(C)(C)CN(C)C)cc1OC ZINC000835068651 737608726 /nfs/dbraw/zinc/60/87/26/737608726.db2.gz HLAPDQFHBPJBLW-UHFFFAOYSA-N 1 0 282.384 1.839 20 10 CDCDRO COC[C@@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649527 737783857 /nfs/dbraw/zinc/78/38/57/737783857.db2.gz VOWBOJSYVOWSCJ-JHJVBQTASA-N 1 0 283.368 1.455 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817980859 737801117 /nfs/dbraw/zinc/80/11/17/737801117.db2.gz FBOPDOODSKXVCE-ZYHUDNBSSA-N 1 0 295.339 1.330 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000164287263 737975780 /nfs/dbraw/zinc/97/57/80/737975780.db2.gz FSSFKQVUYKKDNM-VPTHRUTESA-N 1 0 261.774 1.902 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2cccc(OC)c2O)C1 ZINC000787767283 738518641 /nfs/dbraw/zinc/51/86/41/738518641.db2.gz PIPHMCRDDNYECU-UHFFFAOYSA-N 1 0 280.324 1.331 20 10 CDCDRO COc1ccc(O)c(C[N@H+](CCOCCO)C2CCC2)c1 ZINC000827204542 738522496 /nfs/dbraw/zinc/52/24/96/738522496.db2.gz XFKZRLQCLCRWMK-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000379448396 738051378 /nfs/dbraw/zinc/05/13/78/738051378.db2.gz ZLMIFOCOXCFHPZ-GHMZBOCLSA-N 1 0 250.342 1.583 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000791006541 738059184 /nfs/dbraw/zinc/05/91/84/738059184.db2.gz MAYRUSFKMKCABG-HNNXBMFYSA-N 1 0 295.379 1.125 20 10 CDCDRO CC[C@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000124385900 738067110 /nfs/dbraw/zinc/06/71/10/738067110.db2.gz CVMRBSIMGFKQKK-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[NH+](C)C ZINC000133696094 738099739 /nfs/dbraw/zinc/09/97/39/738099739.db2.gz SLDRNYHKGYJXIM-UHFFFAOYSA-N 1 0 278.400 1.422 20 10 CDCDRO COc1ccccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000386002764 738128331 /nfs/dbraw/zinc/12/83/31/738128331.db2.gz UCCCHXATQNTYPZ-GFCCVEGCSA-N 1 0 250.342 1.562 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000842631606 738246444 /nfs/dbraw/zinc/24/64/44/738246444.db2.gz PNQYUFKXPNWDFT-UHFFFAOYSA-N 1 0 273.336 1.508 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827726155 738325262 /nfs/dbraw/zinc/32/52/62/738325262.db2.gz SLWJIRBLFBEJQH-OLZOCXBDSA-N 1 0 291.395 1.438 20 10 CDCDRO c1cnn(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000048449556 738330265 /nfs/dbraw/zinc/33/02/65/738330265.db2.gz WMUCDWSILRUYKP-UHFFFAOYSA-N 1 0 286.379 1.510 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NCCC[NH2+]C)cc1 ZINC000841720636 738373043 /nfs/dbraw/zinc/37/30/43/738373043.db2.gz XPZNBCBULXPZIQ-UHFFFAOYSA-N 1 0 292.427 1.942 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(N)cc3)CC[C@@H]21 ZINC000166513748 738379233 /nfs/dbraw/zinc/37/92/33/738379233.db2.gz QNLADLBAYLKDCT-HOCLYGCPSA-N 1 0 287.407 1.754 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CCc2c[nH]cn2)c1 ZINC000793688415 738635667 /nfs/dbraw/zinc/63/56/67/738635667.db2.gz GIFQTODAIGIJAY-JTQLQIEISA-N 1 0 289.335 1.934 20 10 CDCDRO CC(C)(CS(C)(=O)=O)[NH2+]Cc1ccccc1O ZINC000391437477 738673539 /nfs/dbraw/zinc/67/35/39/738673539.db2.gz QHTAGJQRDZQSOF-UHFFFAOYSA-N 1 0 257.355 1.305 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000858587408 738740855 /nfs/dbraw/zinc/74/08/55/738740855.db2.gz NLJAPNKYKNAZOH-RKDXNWHRSA-N 1 0 270.304 1.590 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000841952006 738766233 /nfs/dbraw/zinc/76/62/33/738766233.db2.gz YVPNTYYMPQFUNG-DZGCQCFKSA-N 1 0 290.411 1.628 20 10 CDCDRO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c(O)c1O ZINC000179511422 738782794 /nfs/dbraw/zinc/78/27/94/738782794.db2.gz MZPWXLPJJGMPJZ-ZDUSSCGKSA-N 1 0 292.379 1.818 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000825284536 738807298 /nfs/dbraw/zinc/80/72/98/738807298.db2.gz ORHJGRFQHAJLJK-OUAUKWLOSA-N 1 0 278.352 1.705 20 10 CDCDRO COc1cccc([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)c1O ZINC000846147057 738821856 /nfs/dbraw/zinc/82/18/56/738821856.db2.gz VFUMGHUEJAHAGE-OLZOCXBDSA-N 1 0 294.395 1.508 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000843126589 738870114 /nfs/dbraw/zinc/87/01/14/738870114.db2.gz KYOKGEFZRDFVRA-WCQYABFASA-N 1 0 292.379 1.593 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CO)c1 ZINC000224886989 738884701 /nfs/dbraw/zinc/88/47/01/738884701.db2.gz MTBZIMAJAXRFHT-ZWNOBZJWSA-N 1 0 251.326 1.651 20 10 CDCDRO COC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CC1 ZINC000817943286 738888367 /nfs/dbraw/zinc/88/83/67/738888367.db2.gz UAAQAAAWMZCITK-CVEARBPZSA-N 1 0 277.412 1.767 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1 ZINC000873177365 739074093 /nfs/dbraw/zinc/07/40/93/739074093.db2.gz HXEPUICAAJRGOR-UMSPYCQHSA-N 1 0 251.326 1.651 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000822521111 739092703 /nfs/dbraw/zinc/09/27/03/739092703.db2.gz WLBVTJAJZVFCFB-WCQYABFASA-N 1 0 290.363 1.647 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1c(C)cccc1O ZINC000876956582 739172260 /nfs/dbraw/zinc/17/22/60/739172260.db2.gz LCXPXNVOKKBQQO-UHFFFAOYSA-N 1 0 250.342 1.707 20 10 CDCDRO CCC[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000827210549 738902168 /nfs/dbraw/zinc/90/21/68/738902168.db2.gz UPVRFFFOOJUJSW-NSHDSACASA-N 1 0 250.342 1.739 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1 ZINC000228930268 736398825 /nfs/dbraw/zinc/39/88/25/736398825.db2.gz OFNGBIHDBFKCBL-GHMZBOCLSA-N 1 0 280.368 1.965 20 10 CDCDRO C[C@H](Cc1cnccn1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940014 736521480 /nfs/dbraw/zinc/52/14/80/736521480.db2.gz DUUHLBDKADPAPU-DYVFJYSZSA-N 1 0 299.422 1.763 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(C)(C)O ZINC000876735982 736537279 /nfs/dbraw/zinc/53/72/79/736537279.db2.gz CWVMBXUXFOJCFV-UHFFFAOYSA-N 1 0 292.423 1.850 20 10 CDCDRO CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981148 736552792 /nfs/dbraw/zinc/55/27/92/736552792.db2.gz ZMBZMQCLSDIOMD-RKDXNWHRSA-N 1 0 253.302 1.688 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C1(CO)CCC1 ZINC000827904134 736553466 /nfs/dbraw/zinc/55/34/66/736553466.db2.gz VGDGHOGWZZENLN-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CCN(CC)c1ccc(CN2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000843120339 736564634 /nfs/dbraw/zinc/56/46/34/736564634.db2.gz GHZFTRQPTXCEFJ-KRWDZBQOSA-N 1 0 290.455 1.608 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000852898920 736614057 /nfs/dbraw/zinc/61/40/57/736614057.db2.gz AWLPFNXZTUXHJJ-JKSUJKDBSA-N 1 0 287.407 1.944 20 10 CDCDRO COc1cccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1O ZINC000227968598 736663915 /nfs/dbraw/zinc/66/39/15/736663915.db2.gz OBDGPBVOEZQIGP-QMTHXVAHSA-N 1 0 267.325 1.030 20 10 CDCDRO C[NH2+]C[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000853248314 736799705 /nfs/dbraw/zinc/79/97/05/736799705.db2.gz CYFCDHOBKAZUGB-QMMMGPOBSA-N 1 0 269.301 1.007 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCN2CCCO)c1O ZINC000824565473 736799771 /nfs/dbraw/zinc/79/97/71/736799771.db2.gz WOPGESXFLBHHKY-OAHLLOKOSA-N 1 0 278.396 1.637 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000227974249 736815443 /nfs/dbraw/zinc/81/54/43/736815443.db2.gz PTCWAVSJWPDFJW-TVQRCGJNSA-N 1 0 271.744 1.675 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)COC1CC[NH2+]CC1 ZINC000111796501 736838818 /nfs/dbraw/zinc/83/88/18/736838818.db2.gz YPGCNRPWUZZLRR-UHFFFAOYSA-N 1 0 278.352 1.119 20 10 CDCDRO Cn1nccc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000231033127 737007619 /nfs/dbraw/zinc/00/76/19/737007619.db2.gz QVAGLJLHINGRAG-UHFFFAOYSA-N 1 0 257.337 1.687 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C ZINC000090720542 737008298 /nfs/dbraw/zinc/00/82/98/737008298.db2.gz LLOXYNQZLBDAQZ-ZYHUDNBSSA-N 1 0 278.352 1.693 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@H+](C)C[C@@H]2COCCO2)c1 ZINC000853558324 737016921 /nfs/dbraw/zinc/01/69/21/737016921.db2.gz HJEDFEMDHVXZGM-CQSZACIVSA-N 1 0 265.353 1.856 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C2)cc1 ZINC000818345923 737127727 /nfs/dbraw/zinc/12/77/27/737127727.db2.gz YCZBHTOQWBCXKV-STQMWFEESA-N 1 0 291.395 1.375 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)c1O ZINC000846157177 737220342 /nfs/dbraw/zinc/22/03/42/737220342.db2.gz ROOWLWUPBIRJIR-GFCCVEGCSA-N 1 0 295.379 1.841 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085370916 737235218 /nfs/dbraw/zinc/23/52/18/737235218.db2.gz ZYEDYIAADWULRO-KGLIPLIRSA-N 1 0 261.369 1.496 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCN(C)C(=O)OC)c1 ZINC000850389691 737242967 /nfs/dbraw/zinc/24/29/67/737242967.db2.gz DNIIYSQLNCHKGF-UHFFFAOYSA-N 1 0 282.340 1.579 20 10 CDCDRO C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882988198 737244859 /nfs/dbraw/zinc/24/48/59/737244859.db2.gz FVFNLZWUXUCYIO-LLVKDONJSA-N 1 0 299.365 1.396 20 10 CDCDRO C[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC000817860501 737335006 /nfs/dbraw/zinc/33/50/06/737335006.db2.gz OERYIJOIDWVPEF-YRGRVCCFSA-N 1 0 275.396 1.643 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000382465260 737375961 /nfs/dbraw/zinc/37/59/61/737375961.db2.gz ZPYSAWYPMNKDII-NSHDSACASA-N 1 0 271.311 1.351 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843483822 737493840 /nfs/dbraw/zinc/49/38/40/737493840.db2.gz FKXRDXSPSAKPJB-UONOGXRCSA-N 1 0 292.379 1.637 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000825280214 737508171 /nfs/dbraw/zinc/50/81/71/737508171.db2.gz YVZPQZNXKKYHPW-GXSJLCMTSA-N 1 0 264.325 1.144 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000382568214 737528195 /nfs/dbraw/zinc/52/81/95/737528195.db2.gz OXWZXBQWGHHBON-BXUZGUMPSA-N 1 0 251.326 1.367 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC(=O)CS3)C[C@@H]2C1 ZINC000812331264 737613645 /nfs/dbraw/zinc/61/36/45/737613645.db2.gz DVHZKRIQVOQQPT-ZJUUUORDSA-N 1 0 266.366 1.477 20 10 CDCDRO O=C(NCCC[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000842224734 737670933 /nfs/dbraw/zinc/67/09/33/737670933.db2.gz PFGFPKREEZBJII-UHFFFAOYSA-N 1 0 254.355 1.669 20 10 CDCDRO CN(C)c1cc(F)c(CN2CCN(C)C[C@H]2CO)cc1F ZINC000877644913 737787596 /nfs/dbraw/zinc/78/75/96/737787596.db2.gz VNGXBPFHQVVISM-LBPRGKRZSA-N 1 0 299.365 1.139 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1C ZINC000131746179 737788757 /nfs/dbraw/zinc/78/87/57/737788757.db2.gz SXNNFEFUSDHADN-CYBMUJFWSA-N 1 0 283.393 1.676 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000846092596 737840304 /nfs/dbraw/zinc/84/03/04/737840304.db2.gz GLIDGZKRBLVAFZ-CYBMUJFWSA-N 1 0 274.364 1.580 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC000792197160 737842497 /nfs/dbraw/zinc/84/24/97/737842497.db2.gz YPZXESZFFCSAED-CQSZACIVSA-N 1 0 283.368 1.204 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCOC2=O)c1 ZINC000775375579 737983582 /nfs/dbraw/zinc/98/35/82/737983582.db2.gz NODFYWSOFHOPMS-JTQLQIEISA-N 1 0 280.324 1.504 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cccc(OC)c2O)C[C@@H]1C ZINC000211482640 738086397 /nfs/dbraw/zinc/08/63/97/738086397.db2.gz ZRESGLXAKANRTO-LBPRGKRZSA-N 1 0 264.369 1.927 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000843056669 738117158 /nfs/dbraw/zinc/11/71/58/738117158.db2.gz UZAPJJGTDVSXGY-CJNGLKHVSA-N 1 0 277.412 1.609 20 10 CDCDRO CSCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000070185405 738125416 /nfs/dbraw/zinc/12/54/16/738125416.db2.gz AQGKPNSDBFKDRR-UHFFFAOYSA-N 1 0 266.410 1.976 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1O ZINC000840962918 738141348 /nfs/dbraw/zinc/14/13/48/738141348.db2.gz OCBPDFGRTGUZED-KBPBESRZSA-N 1 0 295.379 1.668 20 10 CDCDRO CON(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000850479989 738169252 /nfs/dbraw/zinc/16/92/52/738169252.db2.gz HWQPLKKMNHPWSA-GFCCVEGCSA-N 1 0 251.374 1.896 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)c1O ZINC000848886870 738179013 /nfs/dbraw/zinc/17/90/13/738179013.db2.gz XFJIRYBYMFLXQD-CQSZACIVSA-N 1 0 276.380 1.911 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000840959043 738285540 /nfs/dbraw/zinc/28/55/40/738285540.db2.gz XGZOGCVTIYSQMO-CYBMUJFWSA-N 1 0 293.386 1.802 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846112224 738300330 /nfs/dbraw/zinc/30/03/30/738300330.db2.gz YJMSFEIJTUGAGB-OAHLLOKOSA-N 1 0 281.352 1.422 20 10 CDCDRO COC(=O)N1CC([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877097364 738324045 /nfs/dbraw/zinc/32/40/45/738324045.db2.gz CDHMGRJDFIDVMY-UHFFFAOYSA-N 1 0 250.298 1.241 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000776155125 738380084 /nfs/dbraw/zinc/38/00/84/738380084.db2.gz YZRACLXKMPOSOY-UHFFFAOYSA-N 1 0 275.352 1.857 20 10 CDCDRO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977653 738899230 /nfs/dbraw/zinc/89/92/30/738899230.db2.gz NGSCTFGJYBXLKD-UVRHIYEWSA-N 1 0 263.297 1.169 20 10 CDCDRO C[NH2+]C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843045632 738386994 /nfs/dbraw/zinc/38/69/94/738386994.db2.gz YKDIMLJAJDCAKD-LLVKDONJSA-N 1 0 278.352 1.552 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(O)c1 ZINC000785985292 738994131 /nfs/dbraw/zinc/99/41/31/738994131.db2.gz UMKCOFSLEHVOLA-BXUZGUMPSA-N 1 0 265.353 1.994 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000775648317 739008319 /nfs/dbraw/zinc/00/83/19/739008319.db2.gz RZCJUDVFCHGJLX-UHFFFAOYSA-N 1 0 291.464 1.987 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000775985540 739015593 /nfs/dbraw/zinc/01/55/93/739015593.db2.gz MURKAWZMANLBFC-VXGBXAGGSA-N 1 0 294.395 1.934 20 10 CDCDRO Cc1cc(O)c(CN2CCCNC(=O)C2)cc1Cl ZINC000824627512 739032035 /nfs/dbraw/zinc/03/20/35/739032035.db2.gz PBYQEXQWVQKASV-UHFFFAOYSA-N 1 0 268.744 1.676 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000710884495 739050775 /nfs/dbraw/zinc/05/07/75/739050775.db2.gz XGKLGWDQINCBLU-HDJSIYSDSA-N 1 0 275.396 1.886 20 10 CDCDRO O=S1(=O)CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226617027 739051148 /nfs/dbraw/zinc/05/11/48/739051148.db2.gz HWCJROXEKMIAGW-NSHDSACASA-N 1 0 273.329 1.198 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(O)c1 ZINC000843126291 739113769 /nfs/dbraw/zinc/11/37/69/739113769.db2.gz HUHPEXPCRMPPEG-WFASDCNBSA-N 1 0 276.380 1.975 20 10 CDCDRO CCc1cccc(C[N@H+](C)[C@@]2(CO)CCOC2)c1O ZINC000862428963 739163356 /nfs/dbraw/zinc/16/33/56/739163356.db2.gz YBGOMDWGBOXBLA-OAHLLOKOSA-N 1 0 265.353 1.538 20 10 CDCDRO CC[NH2+]CCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610011321 1165183350 /nfs/dbraw/zinc/18/33/50/1165183350.db2.gz PREANFUZEFHMGD-SNVBAGLBSA-N 1 0 266.341 1.741 20 10 CDCDRO CC(C)NC(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037262757 1165762952 /nfs/dbraw/zinc/76/29/52/1165762952.db2.gz FZERIEOAYYXSDF-UHFFFAOYSA-N 1 0 275.396 1.901 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)c1O ZINC001173747724 912783263 /nfs/dbraw/zinc/78/32/63/912783263.db2.gz CJVAADUFCVBSCH-ZIAGYGMSSA-N 1 0 287.367 1.961 20 10 CDCDRO Cc1cc(O)c(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1Br ZINC001236024774 914567090 /nfs/dbraw/zinc/56/70/90/914567090.db2.gz JFMJWFROVAYYOH-ZWNOBZJWSA-N 1 0 297.196 1.996 20 10 CDCDRO CC1(C)C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CO1 ZINC001172272386 911488519 /nfs/dbraw/zinc/48/85/19/911488519.db2.gz ZAKXFDUSEKBNMV-JTQLQIEISA-N 1 0 267.325 1.503 20 10 CDCDRO CC[C@@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124555895 917432838 /nfs/dbraw/zinc/43/28/38/917432838.db2.gz DYXUHPIVPDYWCV-CQSZACIVSA-N 1 0 294.395 1.634 20 10 CDCDRO Cc1ccc(C[NH2+]CCCN2CCOCC2)c(O)c1 ZINC000083478844 918496552 /nfs/dbraw/zinc/49/65/52/918496552.db2.gz JIYWSZODHQAGOR-UHFFFAOYSA-N 1 0 264.369 1.513 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)ccc21 ZINC001138354823 936525328 /nfs/dbraw/zinc/52/53/28/936525328.db2.gz WDMJZEMKKQOSBP-WBVHZDCISA-N 1 0 290.407 1.244 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001138500225 936542962 /nfs/dbraw/zinc/54/29/62/936542962.db2.gz UIZFRHAPKUGYDL-UHFFFAOYSA-N 1 0 288.391 1.888 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2cccc(OC)c2O)CC1=O ZINC000391516561 936658648 /nfs/dbraw/zinc/65/86/48/936658648.db2.gz QQZMJTFVPGVWJR-NSHDSACASA-N 1 0 264.325 1.111 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC001140338052 936702783 /nfs/dbraw/zinc/70/27/83/936702783.db2.gz SSHPSJYATMCNTC-UONOGXRCSA-N 1 0 285.771 1.611 20 10 CDCDRO Oc1cccc(Cl)c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001140342748 936703942 /nfs/dbraw/zinc/70/39/42/936703942.db2.gz WXDRLPFJQWGECG-SNVBAGLBSA-N 1 0 252.745 1.936 20 10 CDCDRO Oc1cc(Cl)ccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC001140463323 936712239 /nfs/dbraw/zinc/71/22/39/936712239.db2.gz ZYBJJPRKRSPZRP-NSHDSACASA-N 1 0 257.717 1.239 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC(C)(O)CC2)c1O ZINC001140742654 936748578 /nfs/dbraw/zinc/74/85/78/936748578.db2.gz TZSIIOBVJLHVGN-UHFFFAOYSA-N 1 0 251.326 1.753 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC001140749402 936749348 /nfs/dbraw/zinc/74/93/48/936749348.db2.gz YGPWMXYWSCZZBE-WCQYABFASA-N 1 0 262.353 1.542 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140749721 936749499 /nfs/dbraw/zinc/74/94/99/936749499.db2.gz KQWQQKZIFIGWHK-LBPRGKRZSA-N 1 0 278.352 1.507 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC)c(O)c1 ZINC001140850286 936764462 /nfs/dbraw/zinc/76/44/62/936764462.db2.gz IIZHUDIISXAPCL-UHFFFAOYSA-N 1 0 279.384 1.416 20 10 CDCDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000704516271 922883968 /nfs/dbraw/zinc/88/39/68/922883968.db2.gz PWHUPSCVUQBCOA-GFCCVEGCSA-N 1 0 250.342 1.772 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)c(OC)c1 ZINC001141026563 936794306 /nfs/dbraw/zinc/79/43/06/936794306.db2.gz VAFIHKMIHVONIO-CQSZACIVSA-N 1 0 267.325 1.366 20 10 CDCDRO CCC(=O)N1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141156399 936821440 /nfs/dbraw/zinc/82/14/40/936821440.db2.gz WHQHHTNZZRKBOJ-UHFFFAOYSA-N 1 0 264.325 1.152 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@@]1(C)O ZINC001141156146 936821615 /nfs/dbraw/zinc/82/16/15/936821615.db2.gz GEFDWGGKZZIUNQ-QMTHXVAHSA-N 1 0 251.326 1.691 20 10 CDCDRO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)[C@@H]1CO ZINC001141156758 936821697 /nfs/dbraw/zinc/82/16/97/936821697.db2.gz UDWJUORWYSZTGM-ZWNOBZJWSA-N 1 0 251.326 1.691 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](C(N)=O)C3)ccc21 ZINC001141138904 936818706 /nfs/dbraw/zinc/81/87/06/936818706.db2.gz CPJIGKUGHOYLLT-ZDUSSCGKSA-N 1 0 289.379 1.213 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000922942903 923382766 /nfs/dbraw/zinc/38/27/66/923382766.db2.gz WNPVQKLMNHROCW-HNNXBMFYSA-N 1 0 264.369 1.648 20 10 CDCDRO Cc1cc(CN2CCO[C@H]([C@H](C)[NH3+])C2)ccc1N(C)C ZINC000923297431 923719103 /nfs/dbraw/zinc/71/91/03/923719103.db2.gz PFADTKYYUGAEEY-BBRMVZONSA-N 1 0 277.412 1.609 20 10 CDCDRO [NH3+][C@@H](C(=O)NCc1ccccc1O)C1CCCCC1 ZINC001118206054 923928709 /nfs/dbraw/zinc/92/87/09/923928709.db2.gz UPVNMFKTJNCAJF-CQSZACIVSA-N 1 0 262.353 1.916 20 10 CDCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2c(O)cc(O)cc2O)C1=O ZINC001273671852 924099503 /nfs/dbraw/zinc/09/95/03/924099503.db2.gz UETIBDRRROGUDD-OAHLLOKOSA-N 1 0 292.335 1.000 20 10 CDCDRO COc1cc(Cl)cc(CNCC(C)(C)[NH3+])c1O ZINC000841031458 925283211 /nfs/dbraw/zinc/28/32/11/925283211.db2.gz URGUGTUTIILPHB-UHFFFAOYSA-N 1 0 258.749 1.881 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841963100 937025784 /nfs/dbraw/zinc/02/57/84/937025784.db2.gz OWGJEDMCRDYMEQ-LLVKDONJSA-N 1 0 291.395 1.665 20 10 CDCDRO COc1cc(O)c(CN(C)[C@H](C)C[NH3+])cc1OC ZINC000843050941 937107277 /nfs/dbraw/zinc/10/72/77/937107277.db2.gz CDYPQFKXRPFAAI-SECBINFHSA-N 1 0 254.330 1.188 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113322279 928417694 /nfs/dbraw/zinc/41/76/94/928417694.db2.gz JKQXJIMRGJRZSJ-ZDUSSCGKSA-N 1 0 295.402 1.702 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CC(=O)N(C)C2)cc1F ZINC000858119923 928804800 /nfs/dbraw/zinc/80/48/00/928804800.db2.gz UMSWZCZVTJAJRD-JTQLQIEISA-N 1 0 283.322 1.351 20 10 CDCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858321583 928837348 /nfs/dbraw/zinc/83/73/48/928837348.db2.gz AIBFSTDCRHUUSO-HDJSIYSDSA-N 1 0 294.370 1.929 20 10 CDCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)S(C)(=O)=O ZINC000697567081 937283456 /nfs/dbraw/zinc/28/34/56/937283456.db2.gz HJOIJCCCDUEDBA-GXSJLCMTSA-N 1 0 269.366 1.402 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)c2cc[nH]c21 ZINC001170993964 931183116 /nfs/dbraw/zinc/18/31/16/931183116.db2.gz GFHQBZGCUILVIV-UHFFFAOYSA-N 1 0 291.351 1.505 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)OCCCO2 ZINC001170994876 931185757 /nfs/dbraw/zinc/18/57/57/931185757.db2.gz BIWPMXJJZQDBIR-UHFFFAOYSA-N 1 0 294.351 1.176 20 10 CDCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)ccc1O ZINC001275276693 931721239 /nfs/dbraw/zinc/72/12/39/931721239.db2.gz OTKOGTUMPLZQHI-TXEJJXNPSA-N 1 0 252.745 1.934 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(O)c1 ZINC001144514970 931878792 /nfs/dbraw/zinc/87/87/92/931878792.db2.gz ZQJVOBNHRLGISP-SNVBAGLBSA-N 1 0 290.323 1.232 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCn2ccnc2)c1O ZINC000846138608 931985658 /nfs/dbraw/zinc/98/56/58/931985658.db2.gz WTGUEZXKSXHJGO-NSHDSACASA-N 1 0 261.325 1.948 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)c(F)cc1O ZINC001275774249 932016329 /nfs/dbraw/zinc/01/63/29/932016329.db2.gz PQMHEMBJSMUNQG-STQMWFEESA-N 1 0 268.307 1.949 20 10 CDCDRO C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CC[NH3+] ZINC000846692366 932112710 /nfs/dbraw/zinc/11/27/10/932112710.db2.gz ANSPMBAVWIVGII-IUODEOHRSA-N 1 0 275.396 1.787 20 10 CDCDRO CC(C)([NH3+])C(=O)NCCCSc1nccs1 ZINC000160058863 934413356 /nfs/dbraw/zinc/41/33/56/934413356.db2.gz SDWORZPXHNDOTL-UHFFFAOYSA-N 1 0 259.400 1.479 20 10 CDCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001120268473 937790573 /nfs/dbraw/zinc/79/05/73/937790573.db2.gz FUSMPCCBUUBOJC-CQSZACIVSA-N 1 0 250.342 1.506 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC001120486509 937802890 /nfs/dbraw/zinc/80/28/90/937802890.db2.gz UYBQPEDVHJUXSU-LSDHHAIUSA-N 1 0 288.395 1.695 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CC[NH2+]1 ZINC001120630643 937819592 /nfs/dbraw/zinc/81/95/92/937819592.db2.gz CCBLTFIQGNYQCG-MFKMUULPSA-N 1 0 262.357 1.209 20 10 CDCDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001157066428 938450204 /nfs/dbraw/zinc/45/02/04/938450204.db2.gz YVZKJPJDKJXPTP-ZDUSSCGKSA-N 1 0 292.379 1.631 20 10 CDCDRO C[C@@H]1CCN(C(=O)/C=C/c2ccc(N(C)C)cc2)C[C@@H]1[NH3+] ZINC001157799366 938547913 /nfs/dbraw/zinc/54/79/13/938547913.db2.gz LLLDTPDRKHZIIF-MVQLRYDASA-N 1 0 287.407 1.962 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001158169760 938590183 /nfs/dbraw/zinc/59/01/83/938590183.db2.gz UIXSMYBMAJBCIU-UHFFFAOYSA-N 1 0 273.380 1.556 20 10 CDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCc3cccc(O)c3C2)C1 ZINC001160872602 938835393 /nfs/dbraw/zinc/83/53/93/938835393.db2.gz MPWRMBUBHMKZGD-SMDDNHRTSA-N 1 0 274.364 1.665 20 10 CDCDRO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278254976 945214528 /nfs/dbraw/zinc/21/45/28/945214528.db2.gz KUVMGZXYOLFYTH-GFCCVEGCSA-N 1 0 278.327 1.441 20 10 CDCDRO COc1cccc(N)c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163327831 939248981 /nfs/dbraw/zinc/24/89/81/939248981.db2.gz MMRZXGMUAJRIIE-XHDPSFHLSA-N 1 0 277.368 1.600 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)cc1O ZINC001203874862 939710498 /nfs/dbraw/zinc/71/04/98/939710498.db2.gz DPANTOTXPFBSRS-AWEZNQCLSA-N 1 0 269.316 1.784 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC12CC2 ZINC001203882259 939711607 /nfs/dbraw/zinc/71/16/07/939711607.db2.gz AQIDMZBGQDSXQC-LLVKDONJSA-N 1 0 277.320 1.483 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203884763 939712087 /nfs/dbraw/zinc/71/20/87/939712087.db2.gz ZCFZNPOHCPTENZ-RYUDHWBXSA-N 1 0 261.321 1.899 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(c3ccncn3)CC2)cc1 ZINC001203937773 939715221 /nfs/dbraw/zinc/71/52/21/939715221.db2.gz QYZAKHAQNGKCQZ-UHFFFAOYSA-N 1 0 297.406 1.865 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc(O)c1O ZINC001204343535 939757788 /nfs/dbraw/zinc/75/77/88/939757788.db2.gz SPQBLGVOFRGMSS-KOLCDFICSA-N 1 0 267.325 1.309 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204343977 939757863 /nfs/dbraw/zinc/75/78/63/939757863.db2.gz BSUSRWCDEVCJNP-LLVKDONJSA-N 1 0 295.335 1.491 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)cc(O)c1O ZINC001204344630 939758343 /nfs/dbraw/zinc/75/83/43/939758343.db2.gz AEFHJXXFCYJGPS-GXSJLCMTSA-N 1 0 267.325 1.452 20 10 CDCDRO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205571941 939904166 /nfs/dbraw/zinc/90/41/66/939904166.db2.gz ZTFPYSXHZATLMU-HNNXBMFYSA-N 1 0 296.342 1.743 20 10 CDCDRO COc1cccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205764780 939934393 /nfs/dbraw/zinc/93/43/93/939934393.db2.gz YRATWVFPGUKQCL-NSHDSACASA-N 1 0 286.322 1.817 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206230172 940002360 /nfs/dbraw/zinc/00/23/60/940002360.db2.gz ZQPGSYVEJGUHPH-LBPRGKRZSA-N 1 0 290.285 1.872 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)c(O)c1 ZINC001220825835 941475126 /nfs/dbraw/zinc/47/51/26/941475126.db2.gz UCMMQPPLAXBVQJ-YPMHNXCESA-N 1 0 280.343 1.573 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)c(O)c1 ZINC001277453562 942608310 /nfs/dbraw/zinc/60/83/10/942608310.db2.gz AWXMWGLHCARARZ-CYBMUJFWSA-N 1 0 290.363 1.488 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC001231595414 942939392 /nfs/dbraw/zinc/93/93/92/942939392.db2.gz ZONXUMBZDSUBLD-LBPRGKRZSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](C(C)=O)C2)c(O)cc1O ZINC001231638868 942953201 /nfs/dbraw/zinc/95/32/01/942953201.db2.gz HOJXIMKXZKBDOG-JTQLQIEISA-N 1 0 265.309 1.517 20 10 CDCDRO C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1[O-] ZINC001231912707 943051920 /nfs/dbraw/zinc/05/19/20/943051920.db2.gz SWYKIGHRTXWREJ-UHFFFAOYSA-N 1 0 297.830 1.725 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261189 943192337 /nfs/dbraw/zinc/19/23/37/943192337.db2.gz WLVVLNJWPJNVHB-MRVPVSSYSA-N 1 0 285.727 1.746 20 10 CDCDRO C[N@H+](CCC1OCCO1)Cc1cc(Cl)c(O)cc1O ZINC001232262950 943193073 /nfs/dbraw/zinc/19/30/73/943193073.db2.gz XDYUDCHTCDCRKQ-UHFFFAOYSA-N 1 0 287.743 1.946 20 10 CDCDRO CC[N@H+](Cc1cc(Cl)c(O)cc1O)C1CN(C)C1 ZINC001232263212 943194533 /nfs/dbraw/zinc/19/45/33/943194533.db2.gz KBRAEHGBFOKYEH-UHFFFAOYSA-N 1 0 270.760 1.887 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC001232834909 943413252 /nfs/dbraw/zinc/41/32/52/943413252.db2.gz PPBVNCVJEDHVRZ-LBPRGKRZSA-N 1 0 264.369 1.663 20 10 CDCDRO CCOC(=O)C1C[NH+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232838455 943415945 /nfs/dbraw/zinc/41/59/45/943415945.db2.gz FZBWZJZVXPOBNN-UHFFFAOYSA-N 1 0 278.352 1.453 20 10 CDCDRO COC(=O)CC[N@H+](Cc1cc(O)c(O)c(O)c1)C1CC1 ZINC001233015729 943463093 /nfs/dbraw/zinc/46/30/93/943463093.db2.gz ZKJZMCDPFAXKQC-UHFFFAOYSA-N 1 0 281.308 1.331 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)cc1O)C1CCOCC1 ZINC001233482513 943591210 /nfs/dbraw/zinc/59/12/10/943591210.db2.gz QPFYPHWKZZCAKN-UHFFFAOYSA-N 1 0 253.298 1.414 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1O ZINC001233486340 943594317 /nfs/dbraw/zinc/59/43/17/943594317.db2.gz JHANBGYPKAGTCU-OTYXRUKQSA-N 1 0 265.309 1.414 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485706 943594556 /nfs/dbraw/zinc/59/45/56/943594556.db2.gz HUEIZRFRQLGUGR-JTQLQIEISA-N 1 0 281.308 1.331 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@]23CCOC3)cc1O ZINC001233486652 943595322 /nfs/dbraw/zinc/59/53/22/943595322.db2.gz WRFXLGVKTQDMEH-CQSZACIVSA-N 1 0 265.309 1.558 20 10 CDCDRO CCC[NH+]1C[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487349 943596439 /nfs/dbraw/zinc/59/64/39/943596439.db2.gz ZSSIMMQQTMTSSX-STQMWFEESA-N 1 0 292.379 1.577 20 10 CDCDRO CC(C)c1ccc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064184 944037765 /nfs/dbraw/zinc/03/77/65/944037765.db2.gz VXUGJWDKNYJDER-QGZVFWFLSA-N 1 0 289.423 1.653 20 10 CDCDRO Cc1cc(O)c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1Cl ZINC001235999188 944367120 /nfs/dbraw/zinc/36/71/20/944367120.db2.gz YJHQHIULMBMCRH-ODOQXGPZSA-N 1 0 296.798 1.760 20 10 CDCDRO Oc1c(CN2C[C@@H]3C[NH2+]C[C@@H]32)cccc1OC(F)(F)F ZINC001236298445 944457800 /nfs/dbraw/zinc/45/78/00/944457800.db2.gz UMISAFAJCISIIT-UWVGGRQHSA-N 1 0 288.269 1.694 20 10 CDCDRO C[C@@H]1CN(Cc2c(O)ccc(F)c2F)C[C@@H](C)[NH2+]1 ZINC001236577958 944515278 /nfs/dbraw/zinc/51/52/78/944515278.db2.gz CPQLLZMTHBNPFF-RKDXNWHRSA-N 1 0 256.296 1.853 20 10 CDCDRO COC(=O)Cc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001236582545 944517301 /nfs/dbraw/zinc/51/73/01/944517301.db2.gz QWPOCFWCFBKEOO-TXEJJXNPSA-N 1 0 292.379 1.290 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236756871 944560561 /nfs/dbraw/zinc/56/05/61/944560561.db2.gz UIPZGCYTAIBRPB-UHFFFAOYSA-N 1 0 295.335 1.404 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001236806810 944573219 /nfs/dbraw/zinc/57/32/19/944573219.db2.gz BKLKKVRLVKZFPK-MNOVXSKESA-N 1 0 269.316 1.614 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001236807411 944574260 /nfs/dbraw/zinc/57/42/60/944574260.db2.gz GYFRPKVAJLQILV-CVEARBPZSA-N 1 0 295.379 1.274 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236807708 944576789 /nfs/dbraw/zinc/57/67/89/944576789.db2.gz KAYRRFQEYOKBEL-LLVKDONJSA-N 1 0 279.336 1.704 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCCOCC2)c(O)c1 ZINC001236818980 944579706 /nfs/dbraw/zinc/57/97/06/944579706.db2.gz QWNNJRSJKLKGOY-UHFFFAOYSA-N 1 0 251.326 1.932 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001236895286 944609610 /nfs/dbraw/zinc/60/96/10/944609610.db2.gz ONLWOCTXOQQGDZ-ZDUSSCGKSA-N 1 0 277.412 1.427 20 10 CDCDRO COc1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)cc1O ZINC001237405940 944759361 /nfs/dbraw/zinc/75/93/61/944759361.db2.gz SKUOFWQAYUACFE-DGCLKSJQSA-N 1 0 292.379 1.680 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001237485780 944810043 /nfs/dbraw/zinc/81/00/43/944810043.db2.gz SJRWEZKJONWNQO-CYBMUJFWSA-N 1 0 277.364 1.816 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(c2ncncn2)CC1 ZINC001237495355 944816306 /nfs/dbraw/zinc/81/63/06/944816306.db2.gz QIMYVHBOLWOOQF-UHFFFAOYSA-N 1 0 285.351 1.208 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC001238071530 945051429 /nfs/dbraw/zinc/05/14/29/945051429.db2.gz YVYQDTAARBXUQW-HNNXBMFYSA-N 1 0 294.326 1.914 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CN1 ZINC001246291366 948081981 /nfs/dbraw/zinc/08/19/81/948081981.db2.gz IDLBGOUILQONKC-LNSITVRQSA-N 1 0 291.395 1.307 20 10 CDCDRO CSCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258199249 948730931 /nfs/dbraw/zinc/73/09/31/948730931.db2.gz WSWFPJRGOLCWTL-TVQRCGJNSA-N 1 0 271.382 1.862 20 10 CDCDRO CCOC(=O)CC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258477103 948872663 /nfs/dbraw/zinc/87/26/63/948872663.db2.gz AUEZHDORAZOXLC-JTQLQIEISA-N 1 0 297.351 1.667 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC([C@@H](C)OC)C2)c(O)c1 ZINC001249216695 949462540 /nfs/dbraw/zinc/46/25/40/949462540.db2.gz HFRSJNBGLABRDD-LLVKDONJSA-N 1 0 293.363 1.574 20 10 CDCDRO CCCCC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001253517459 951934025 /nfs/dbraw/zinc/93/40/25/951934025.db2.gz GBTSPRLMPBUNQW-DOMZBBRYSA-N 1 0 283.368 1.662 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C(=O)OC(C)(C)C)cc1 ZINC001253712577 952057566 /nfs/dbraw/zinc/05/75/66/952057566.db2.gz UPOSTPMEORIQBG-AWEZNQCLSA-N 1 0 294.395 1.545 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CCC(=O)OC)CC2)cc1 ZINC001325996146 954175043 /nfs/dbraw/zinc/17/50/43/954175043.db2.gz XIHHMTMBQINIKW-UHFFFAOYSA-N 1 0 292.379 1.770 20 10 CDCDRO C[N@H+](Cc1ccc(Cl)cc1O)CC(C)(CO)CO ZINC001308618491 956555799 /nfs/dbraw/zinc/55/57/99/956555799.db2.gz GVJDKWMLFJZNDC-UHFFFAOYSA-N 1 0 273.760 1.468 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CF)C1)[C@@H](O)CO2 ZINC001331021328 956766384 /nfs/dbraw/zinc/76/63/84/956766384.db2.gz JOUYLQPDQUXARO-YGRLFVJLSA-N 1 0 281.327 2.000 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)c1 ZINC001332239344 957488058 /nfs/dbraw/zinc/48/80/58/957488058.db2.gz TYAFXYUEULTTDA-VILIVFPASA-N 1 0 276.336 1.186 20 10 CDCDRO Cc1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(O)c1 ZINC001594361214 958449743 /nfs/dbraw/zinc/44/97/43/958449743.db2.gz JUGBGJZCRLQKKP-UHFFFAOYSA-N 1 0 278.352 1.339 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1O ZINC001333705784 958530243 /nfs/dbraw/zinc/53/02/43/958530243.db2.gz UMWQCHBHDAQEHM-GFCCVEGCSA-N 1 0 299.392 1.376 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)n1ccnc1 ZINC001320690103 959329037 /nfs/dbraw/zinc/32/90/37/959329037.db2.gz DYLGZRCTISGXLS-MNOVXSKESA-N 1 0 289.335 1.603 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001336285079 960288204 /nfs/dbraw/zinc/28/82/04/960288204.db2.gz HPHOLUGEQJPMRB-UHFFFAOYSA-N 1 0 263.341 1.543 20 10 CDCDRO C[N@H+](CCCCNC(=O)NCc1ccc(N)cc1)C1CC1 ZINC001346453952 965120001 /nfs/dbraw/zinc/12/00/01/965120001.db2.gz VCAQZWCSCJEUBW-UHFFFAOYSA-N 1 0 290.411 1.942 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000848903937 969345778 /nfs/dbraw/zinc/34/57/78/969345778.db2.gz HEWYJCFWBPNCLO-AWEZNQCLSA-N 1 0 272.352 1.993 20 10 CDCDRO Nc1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC001357436660 969589037 /nfs/dbraw/zinc/58/90/37/969589037.db2.gz WCOCAXNZLILJFB-UHFFFAOYSA-N 1 0 262.357 1.210 20 10 CDCDRO CC(C)[NH+]1CCC(C(=O)NCc2cccc(O)c2O)CC1 ZINC001521851338 970367663 /nfs/dbraw/zinc/36/76/63/970367663.db2.gz LHZRODIYRKUJCO-UHFFFAOYSA-N 1 0 292.379 1.834 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001577172270 1171613892 /nfs/dbraw/zinc/61/38/92/1171613892.db2.gz RVKJPJJYFRDAIJ-RISCZKNCSA-N 1 0 263.385 1.928 20 10 CDCDRO CC[NH2+]CC(=O)NCc1c(O)ccc2ccccc21 ZINC001577831973 1171750624 /nfs/dbraw/zinc/75/06/24/1171750624.db2.gz UDZBFSRIHTXWKY-UHFFFAOYSA-N 1 0 258.321 1.771 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)C(C)(C)C)c1 ZINC000205817450 343356757 /nfs/dbraw/zinc/35/67/57/343356757.db2.gz CHLRSYHCFZXYGB-ZDUSSCGKSA-N 1 0 253.342 1.897 20 10 CDCDRO COc1ccc(CN[C@H]2C[NH2+]CC23CC3)c(O)c1OC ZINC001579216320 1172118275 /nfs/dbraw/zinc/11/82/75/1172118275.db2.gz NXEYEWLYRJAHHA-LBPRGKRZSA-N 1 0 278.352 1.251 20 10 CDCDRO CCOc1cccc(C[NH2+]CCN(CC)CCO)c1O ZINC000184549581 357487983 /nfs/dbraw/zinc/48/79/83/357487983.db2.gz NQGMORXCQREKAN-UHFFFAOYSA-N 1 0 282.384 1.195 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1OC ZINC000187985189 357831505 /nfs/dbraw/zinc/83/15/05/357831505.db2.gz PWOBOMTUGHFZMW-CMPLNLGQSA-N 1 0 281.352 1.660 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000188046246 357838367 /nfs/dbraw/zinc/83/83/67/357838367.db2.gz WUJCOBRTVSXWJR-SNVBAGLBSA-N 1 0 296.367 1.366 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188390270 357890073 /nfs/dbraw/zinc/89/00/73/357890073.db2.gz KEUDOIVUABEAIE-WDEREUQCSA-N 1 0 252.289 1.051 20 10 CDCDRO COC(=O)[C@H]1[C@H](O)CCCN1Cc1cccc(Cl)c1[O-] ZINC000188785557 357937053 /nfs/dbraw/zinc/93/70/53/357937053.db2.gz UDIHKEIHLODYRR-VXGBXAGGSA-N 1 0 299.754 1.544 20 10 CDCDRO CCN1CCC[N@H+](Cc2cc(C)ccc2O)CC1=O ZINC000191538142 358137330 /nfs/dbraw/zinc/13/73/30/358137330.db2.gz FFUOHLYGRCDFGG-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000192098313 358174548 /nfs/dbraw/zinc/17/45/48/358174548.db2.gz ZABZMIGZZFWCCD-STQMWFEESA-N 1 0 275.396 1.886 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1C ZINC000091864516 358530580 /nfs/dbraw/zinc/53/05/80/358530580.db2.gz VTHFLRZCXPUERP-CYBMUJFWSA-N 1 0 275.352 1.218 20 10 CDCDRO CN(C)c1ccc(CN2CCNC(=O)C2(C)C)cc1F ZINC000131732460 361139138 /nfs/dbraw/zinc/13/91/38/361139138.db2.gz UJTFASSDZPPSTK-UHFFFAOYSA-N 1 0 279.359 1.602 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000366459147 361686076 /nfs/dbraw/zinc/68/60/76/361686076.db2.gz FLJDIMVVCCKPLU-GXTWGEPZSA-N 1 0 259.353 1.022 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269237963 364164999 /nfs/dbraw/zinc/16/49/99/364164999.db2.gz WCXAYEMGIMCWNV-CQSZACIVSA-N 1 0 292.379 1.509 20 10 CDCDRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000271284339 364979151 /nfs/dbraw/zinc/97/91/51/364979151.db2.gz OSCVJOUVWRNNGU-ZDUSSCGKSA-N 1 0 298.408 1.296 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1O ZINC000272028145 365051833 /nfs/dbraw/zinc/05/18/33/365051833.db2.gz YFOJQEQJGZDGNF-QMTHXVAHSA-N 1 0 251.326 1.604 20 10 CDCDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1O ZINC000183460800 365468082 /nfs/dbraw/zinc/46/80/82/365468082.db2.gz YVLSSQDPXIGBMH-NSHDSACASA-N 1 0 250.342 1.911 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(Cl)ccc1O ZINC000273610934 365511362 /nfs/dbraw/zinc/51/13/62/365511362.db2.gz VTWVESFEYFFBDP-DGCLKSJQSA-N 1 0 297.830 1.942 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nncn2C)c(O)c1C ZINC000273403633 365493295 /nfs/dbraw/zinc/49/32/95/365493295.db2.gz NVLRDKXPWYICJI-LLVKDONJSA-N 1 0 260.341 1.988 20 10 CDCDRO C[N@H+](CCOCCO)Cc1c(O)cccc1Cl ZINC000282684407 367991853 /nfs/dbraw/zinc/99/18/53/367991853.db2.gz IMWSTTOYZILMHH-UHFFFAOYSA-N 1 0 259.733 1.486 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc2c(cc1O)CCCC2 ZINC000530221015 368150476 /nfs/dbraw/zinc/15/04/76/368150476.db2.gz BUPCVIMVZIYDAK-IUODEOHRSA-N 1 0 290.407 1.910 20 10 CDCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294803293 371092414 /nfs/dbraw/zinc/09/24/14/371092414.db2.gz POXOYAVIKBPTJG-GFCCVEGCSA-N 1 0 263.385 1.757 20 10 CDCDRO C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCC[NH2+]C1 ZINC000295132232 371134480 /nfs/dbraw/zinc/13/44/80/371134480.db2.gz ORMLSWUTKQKVSW-HNNXBMFYSA-N 1 0 261.369 1.317 20 10 CDCDRO O=C(C[NH2+][C@H]1CCc2cccc(O)c21)NCC(F)F ZINC000296391795 371435413 /nfs/dbraw/zinc/43/54/13/371435413.db2.gz JXIDCEBYKJBWCP-VIFPVBQESA-N 1 0 270.279 1.350 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC(CC(N)=O)C2)cc1F ZINC000297295767 371979706 /nfs/dbraw/zinc/97/97/06/371979706.db2.gz BFWFFMTXFRAZMD-UHFFFAOYSA-N 1 0 293.386 1.979 20 10 CDCDRO Cc1cc(C[N@H+](C)CCOCCO)ccc1N(C)C ZINC000293954432 378604128 /nfs/dbraw/zinc/60/41/28/378604128.db2.gz BZFJCVZCUCRRTI-UHFFFAOYSA-N 1 0 266.385 1.502 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1 ZINC000106857953 390558026 /nfs/dbraw/zinc/55/80/26/390558026.db2.gz OBCLBZROEQRQCR-SNVBAGLBSA-N 1 0 251.282 1.342 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C(N)=O)CC2)c1 ZINC000092754311 390896667 /nfs/dbraw/zinc/89/66/67/390896667.db2.gz SOHCTYGTJXXHFQ-UHFFFAOYSA-N 1 0 293.367 1.377 20 10 CDCDRO CCOc1ccc(O)c(CN2CCNC(=O)[C@H]2CC)c1 ZINC000093050606 390899307 /nfs/dbraw/zinc/89/93/07/390899307.db2.gz PDTSZQRRJMVDSY-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093360404 390901918 /nfs/dbraw/zinc/90/19/18/390901918.db2.gz DFQNYOCNZONWEH-CQSZACIVSA-N 1 0 275.396 1.711 20 10 CDCDRO CCN(CCS(C)(=O)=O)Cc1ccc(N(C)C)cc1 ZINC000122570887 390903568 /nfs/dbraw/zinc/90/35/68/390903568.db2.gz BONLKRCTRQTJCQ-UHFFFAOYSA-N 1 0 284.425 1.619 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](C)N(C)C2CC2)c1O ZINC000105488007 391065268 /nfs/dbraw/zinc/06/52/68/391065268.db2.gz VTKJRPLBBOUGPE-NSHDSACASA-N 1 0 264.369 1.973 20 10 CDCDRO Oc1ccccc1C[N@@H+](CC1OCCO1)C[C@H]1CCCO1 ZINC000182651010 391238576 /nfs/dbraw/zinc/23/85/76/391238576.db2.gz MDNKJYHSIXNSIB-CQSZACIVSA-N 1 0 293.363 1.746 20 10 CDCDRO Cn1cnnc1[C@H]1CCCN1Cc1ccccc1O ZINC000179582800 391213083 /nfs/dbraw/zinc/21/30/83/391213083.db2.gz TWMGWPLEMTZZBA-GFCCVEGCSA-N 1 0 258.325 1.858 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CC[S@@](C)=O)c1 ZINC000164758214 391290712 /nfs/dbraw/zinc/29/07/12/391290712.db2.gz IRVGVIAJQGLVQS-YPMLDQLKSA-N 1 0 271.382 1.648 20 10 CDCDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296770552 391699912 /nfs/dbraw/zinc/69/99/12/391699912.db2.gz KMVQVXWZVJCIKM-QWHCGFSZSA-N 1 0 274.364 1.980 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)ccc21 ZINC000372449182 391853266 /nfs/dbraw/zinc/85/32/66/391853266.db2.gz YECCAPQAUZDIOE-CRAIPNDOSA-N 1 0 299.418 1.685 20 10 CDCDRO O=C(c1cccc(O)c1O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000126400997 260351660 /nfs/dbraw/zinc/35/16/60/260351660.db2.gz NUZYQEWWPXQECD-LLVKDONJSA-N 1 0 276.336 1.408 20 10 CDCDRO CC[C@@H]([NH2+]CCOCCO)c1ccc(N(C)C)cc1 ZINC000159139897 261179547 /nfs/dbraw/zinc/17/95/47/261179547.db2.gz PFOWLBWPAIYCAB-OAHLLOKOSA-N 1 0 266.385 1.802 20 10 CDCDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1Cc1ccccc1O ZINC000291686640 263124755 /nfs/dbraw/zinc/12/47/55/263124755.db2.gz XTRCMBQDXOGCTA-UKRRQHHQSA-N 1 0 276.380 1.687 20 10 CDCDRO CNC(=O)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000273605189 327924304 /nfs/dbraw/zinc/92/43/04/327924304.db2.gz TYIAKBJONUSJDC-SNVBAGLBSA-N 1 0 266.341 1.578 20 10 CDCDRO CC(C)[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000092394343 327193843 /nfs/dbraw/zinc/19/38/43/327193843.db2.gz GUSLMNBCNHDRGZ-SNVBAGLBSA-N 1 0 253.298 1.227 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c1O ZINC000378445777 329050701 /nfs/dbraw/zinc/05/07/01/329050701.db2.gz WKKQOCQUFCGCOG-LBPRGKRZSA-N 1 0 262.309 1.337 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000227968739 329332427 /nfs/dbraw/zinc/33/24/27/329332427.db2.gz HIJWZYUALRXZMT-TVQRCGJNSA-N 1 0 271.744 1.675 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C(N)=O)c1 ZINC000186220206 329339831 /nfs/dbraw/zinc/33/98/31/329339831.db2.gz AKXVYDLARPKCRD-JTQLQIEISA-N 1 0 250.342 1.863 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000431019515 330577880 /nfs/dbraw/zinc/57/78/80/330577880.db2.gz PYRBUBDEPBGCJD-SNVBAGLBSA-N 1 0 263.341 1.215 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230935424 333322689 /nfs/dbraw/zinc/32/26/89/333322689.db2.gz UKQIDKPKXAAQDJ-NSHDSACASA-N 1 0 289.759 1.541 20 10 CDCDRO Cc1c2ccccc2n(C)c1C[NH2+]CCC(=O)NC(N)=O ZINC000577603662 335376486 /nfs/dbraw/zinc/37/64/86/335376486.db2.gz QUVKLVUHKGSSRS-UHFFFAOYSA-N 1 0 288.351 1.161 20 10 CDCDRO COC(=O)CC[N@H+](Cc1ccccc1O)C1CCOCC1 ZINC000179581274 1161243938 /nfs/dbraw/zinc/24/39/38/1161243938.db2.gz LHYKBCLIWQACBO-UHFFFAOYSA-N 1 0 293.363 1.936 20 10 CDCDRO CC1(O)CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000703580058 1161515260 /nfs/dbraw/zinc/51/52/60/1161515260.db2.gz VLRVCANZQRRGFI-UHFFFAOYSA-N 1 0 279.336 1.904 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000271494021 520288513 /nfs/dbraw/zinc/28/85/13/520288513.db2.gz LAJHQRNASUSJGC-BBRMVZONSA-N 1 0 278.396 1.945 20 10 CDCDRO CC[NH+](CC)CCCNC(=O)NCc1ccccc1O ZINC000299476952 520615676 /nfs/dbraw/zinc/61/56/76/520615676.db2.gz FUKOIXCNZGQJRI-UHFFFAOYSA-N 1 0 279.384 1.923 20 10 CDCDRO CCOc1ccc(O)c(CN(C)CC[NH+](C)C)c1 ZINC000289779944 521141600 /nfs/dbraw/zinc/14/16/00/521141600.db2.gz LBTQFRGVJDRAHS-UHFFFAOYSA-N 1 0 252.358 1.784 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000070255213 522202568 /nfs/dbraw/zinc/20/25/68/522202568.db2.gz ZCULHKNQHDUZJP-OAHLLOKOSA-N 1 0 287.407 1.759 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)(C)O ZINC000293202045 522641337 /nfs/dbraw/zinc/64/13/37/522641337.db2.gz XSGOCLRZNDSQDD-ZDUSSCGKSA-N 1 0 267.325 1.760 20 10 CDCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037782716 524325962 /nfs/dbraw/zinc/32/59/62/524325962.db2.gz KLCVPDAMZUTYBS-GFCCVEGCSA-N 1 0 274.364 1.722 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280893294 525365945 /nfs/dbraw/zinc/36/59/45/525365945.db2.gz PGKXLPRXMPMOJI-MELADBBJSA-N 1 0 279.380 1.996 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cc(F)ccc1O ZINC000094617780 525486319 /nfs/dbraw/zinc/48/63/19/525486319.db2.gz LWHQWTDZQCJYOM-ZJUUUORDSA-N 1 0 287.356 1.617 20 10 CDCDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)[N@H+](C)C1CC1 ZINC000732284798 575086913 /nfs/dbraw/zinc/08/69/13/575086913.db2.gz CBKDHQMQRUBDGL-QMMMGPOBSA-N 1 0 254.355 1.666 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCOCC2)cc1F ZINC000733323402 575114670 /nfs/dbraw/zinc/11/46/70/575114670.db2.gz ZZSXFJVHZHYBLA-UHFFFAOYSA-N 1 0 281.375 1.314 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000734468150 575349835 /nfs/dbraw/zinc/34/98/35/575349835.db2.gz NZAHOVNFPQBMCY-CQSZACIVSA-N 1 0 275.396 1.629 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCCO1 ZINC000768441722 576283591 /nfs/dbraw/zinc/28/35/91/576283591.db2.gz GYOTXGOUFBNGBZ-DOMZBBRYSA-N 1 0 293.363 1.819 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCO1 ZINC000768448875 576284834 /nfs/dbraw/zinc/28/48/34/576284834.db2.gz YBCNJPLIOFDOBU-IINYFYTJSA-N 1 0 279.336 1.429 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1c(O)cccc1OC ZINC000768882800 576315790 /nfs/dbraw/zinc/31/57/90/576315790.db2.gz WXRPVFINYBZMFN-JTQLQIEISA-N 1 0 267.325 1.642 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000769187827 576336659 /nfs/dbraw/zinc/33/66/59/576336659.db2.gz AMBFUPOAINIOSZ-LBPRGKRZSA-N 1 0 292.379 1.878 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CCN1CCCC1=O ZINC000769389262 576351005 /nfs/dbraw/zinc/35/10/05/576351005.db2.gz OVAXDEGMZZWSDO-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC000763465966 576738259 /nfs/dbraw/zinc/73/82/59/576738259.db2.gz DYCPHQOHAJFGKC-HNNXBMFYSA-N 1 0 279.380 1.968 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(C)C2)c2c1c(F)ccc2O ZINC000756524602 576993670 /nfs/dbraw/zinc/99/36/70/576993670.db2.gz HOPRLCIFOBKOBH-WCABBAIRSA-N 1 0 278.327 1.900 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CC(F)C3)cc2)CC1 ZINC000753576389 577177858 /nfs/dbraw/zinc/17/78/58/577177858.db2.gz MTXHENAKUYGKAM-UHFFFAOYSA-N 1 0 263.360 1.592 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000858319798 617186396 /nfs/dbraw/zinc/18/63/96/617186396.db2.gz HEGDOYXYOXNCNA-NSHDSACASA-N 1 0 266.341 1.507 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)CCCO)c(O)c1OC ZINC000893164217 617425668 /nfs/dbraw/zinc/42/56/68/617425668.db2.gz MKMLUDVDICREKS-JTQLQIEISA-N 1 0 269.341 1.660 20 10 CDCDRO COc1ccc(C[NH2+]C2(CC(N)=O)CCC2)c(O)c1OC ZINC000893677009 617830286 /nfs/dbraw/zinc/83/02/86/617830286.db2.gz WIPDWHYEGNZJOH-UHFFFAOYSA-N 1 0 294.351 1.297 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1O ZINC000840963820 617849866 /nfs/dbraw/zinc/84/98/66/617849866.db2.gz QHYSRKFOWXHTSU-UONOGXRCSA-N 1 0 265.353 1.578 20 10 CDCDRO C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1O ZINC000891972174 617908654 /nfs/dbraw/zinc/90/86/54/617908654.db2.gz XOTVHJRCBHWDSC-RYUDHWBXSA-N 1 0 277.368 1.895 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)c1O ZINC000894034232 618251591 /nfs/dbraw/zinc/25/15/91/618251591.db2.gz MZNBTVUMXYTKOY-GFCCVEGCSA-N 1 0 292.379 1.762 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@H](CC)CO)c(O)c1 ZINC000824533549 618578055 /nfs/dbraw/zinc/57/80/55/618578055.db2.gz HNPDPNJJRMPLKO-GFCCVEGCSA-N 1 0 253.342 1.994 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000840823162 618676195 /nfs/dbraw/zinc/67/61/95/618676195.db2.gz UXQZHQDXSVEXCP-LBPRGKRZSA-N 1 0 292.379 1.646 20 10 CDCDRO COc1cc(C)cc(CNC[C@H](O)C[NH+]2CCCC2)c1O ZINC000894200147 618688625 /nfs/dbraw/zinc/68/86/25/618688625.db2.gz KBQKKUGCHBCLAE-AWEZNQCLSA-N 1 0 294.395 1.256 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C)C2)c1O ZINC000894241892 618745926 /nfs/dbraw/zinc/74/59/26/618745926.db2.gz ODWCNIXIXVQGQA-LBPRGKRZSA-N 1 0 250.342 1.503 20 10 CDCDRO COC[C@](C)(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894393158 618848638 /nfs/dbraw/zinc/84/86/38/618848638.db2.gz IAVMMFSDPKOELI-AWEZNQCLSA-N 1 0 269.341 1.196 20 10 CDCDRO COc1cc(C)cc(C[NH2+]Cc2cnnn2C)c1O ZINC000894785654 619059828 /nfs/dbraw/zinc/05/98/28/619059828.db2.gz YGDSYANWLOUALZ-UHFFFAOYSA-N 1 0 262.313 1.128 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)c(O)c1OC ZINC000895124274 619319368 /nfs/dbraw/zinc/31/93/68/619319368.db2.gz NQTYGQKVKUOWKI-GXSJLCMTSA-N 1 0 267.325 1.676 20 10 CDCDRO Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000928570498 619414017 /nfs/dbraw/zinc/41/40/17/619414017.db2.gz ULEBCXXNWUZDSH-CQSZACIVSA-N 1 0 298.390 1.923 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895323221 619556293 /nfs/dbraw/zinc/55/62/93/619556293.db2.gz AWZVWNBYUMAOPL-SWLSCSKDSA-N 1 0 281.352 1.027 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1 ZINC000895332233 619571397 /nfs/dbraw/zinc/57/13/97/619571397.db2.gz TXVGMOIKYIEJLL-IUODEOHRSA-N 1 0 281.352 1.109 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C[C@]2(C)OC)c(O)c1OC ZINC000895458980 619676119 /nfs/dbraw/zinc/67/61/19/619676119.db2.gz JTLDNYDAAOIKLA-RISCZKNCSA-N 1 0 267.325 1.676 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000895471755 619690265 /nfs/dbraw/zinc/69/02/65/619690265.db2.gz ZOWYXTINYQSXKN-XYPYZODXSA-N 1 0 295.335 1.451 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000896360517 620072038 /nfs/dbraw/zinc/07/20/38/620072038.db2.gz DZSWMPYFSGNBOK-ZDUSSCGKSA-N 1 0 292.379 1.890 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1cc(OC)c(OC)cc1O ZINC000896713213 620210354 /nfs/dbraw/zinc/21/03/54/620210354.db2.gz UNEGETKBTGUWPR-UHFFFAOYSA-N 1 0 282.340 1.107 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCO[C@@H]2CCOC2)cc1OC ZINC000897201343 620414527 /nfs/dbraw/zinc/41/45/27/620414527.db2.gz IZTSGVJOTOALBU-GFCCVEGCSA-N 1 0 297.351 1.305 20 10 CDCDRO Cc1cccc(C[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000897202327 620414981 /nfs/dbraw/zinc/41/49/81/620414981.db2.gz RXYDEYPGWHTUFS-CYBMUJFWSA-N 1 0 251.326 1.596 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000915830589 631834204 /nfs/dbraw/zinc/83/42/04/631834204.db2.gz RKBWWEKNNJQJGO-LLVKDONJSA-N 1 0 278.352 1.407 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1ccc(N(C)C)cc1 ZINC000920206549 632737398 /nfs/dbraw/zinc/73/73/98/632737398.db2.gz NHOBZSGBILZURS-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO CN1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC1=O ZINC000921644381 633121103 /nfs/dbraw/zinc/12/11/03/633121103.db2.gz PCNJASYXORNQGC-CYBMUJFWSA-N 1 0 260.337 1.332 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)C)c(O)c1 ZINC000877592228 1166063207 /nfs/dbraw/zinc/06/32/07/1166063207.db2.gz MKKSNBBUSINWFH-NSHDSACASA-N 1 0 250.342 1.703 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@](C)(CO)COC)cc1 ZINC000879161906 1166307449 /nfs/dbraw/zinc/30/74/49/1166307449.db2.gz FTOLTDGQCRDLFI-OAHLLOKOSA-N 1 0 266.385 1.630 20 10 CDCDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC001578424747 1171906538 /nfs/dbraw/zinc/90/65/38/1171906538.db2.gz UOTSBDGUIKRJLO-OAHLLOKOSA-N 1 0 286.379 1.643 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167292 739281847 /nfs/dbraw/zinc/28/18/47/739281847.db2.gz WNAGHVYNXYHMAV-GHMZBOCLSA-N 1 0 280.368 1.918 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC000818942351 739301837 /nfs/dbraw/zinc/30/18/37/739301837.db2.gz ZQKYSXKULVSEDS-HNNXBMFYSA-N 1 0 274.368 1.100 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCOC(F)(F)F)OCO2 ZINC000398308948 739438661 /nfs/dbraw/zinc/43/86/61/739438661.db2.gz OTMNOZJTPMXIEM-UHFFFAOYSA-N 1 0 279.214 1.747 20 10 CDCDRO C[NH2+]CCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841883917 739771790 /nfs/dbraw/zinc/77/17/90/739771790.db2.gz XBJAOXAERLBZPN-GFCCVEGCSA-N 1 0 278.400 1.722 20 10 CDCDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000789556566 739839172 /nfs/dbraw/zinc/83/91/72/739839172.db2.gz CMOAQWDQOQOGHN-QGZVFWFLSA-N 1 0 290.407 1.870 20 10 CDCDRO CCOc1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c(O)c1 ZINC000814173281 739743985 /nfs/dbraw/zinc/74/39/85/739743985.db2.gz MDVRQUWMKSVXAE-NHAGDIPZSA-N 1 0 291.347 1.642 20 10 CDCDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000224855959 739842216 /nfs/dbraw/zinc/84/22/16/739842216.db2.gz YIGYDLBQYCDXDS-PWSUYJOCSA-N 1 0 255.383 1.903 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1 ZINC000858295989 739856437 /nfs/dbraw/zinc/85/64/37/739856437.db2.gz HXEPUICAAJRGOR-KLPPZKSPSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000828833423 739856496 /nfs/dbraw/zinc/85/64/96/739856496.db2.gz GCNFVOMQSWBACA-SECBINFHSA-N 1 0 282.315 1.451 20 10 CDCDRO COc1ccc(N(C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000844899867 739897413 /nfs/dbraw/zinc/89/74/13/739897413.db2.gz HHPNBRVRVVHQAS-CYBMUJFWSA-N 1 0 291.395 1.329 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[NH3+] ZINC000841824770 740068585 /nfs/dbraw/zinc/06/85/85/740068585.db2.gz TWGJDNYPJDDLDO-NSHDSACASA-N 1 0 264.373 1.207 20 10 CDCDRO COc1cccc(CNC(=O)C[N@H+](C)C2CCC2)c1O ZINC000863864734 740081146 /nfs/dbraw/zinc/08/11/46/740081146.db2.gz SQPRNKFLEOXLKH-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c1O ZINC000848884024 740085695 /nfs/dbraw/zinc/08/56/95/740085695.db2.gz GVTDXGJOTLPSMP-AWEZNQCLSA-N 1 0 276.380 1.913 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000862215371 740420443 /nfs/dbraw/zinc/42/04/43/740420443.db2.gz HVYABNKJQMZHAQ-LLVKDONJSA-N 1 0 270.323 1.988 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCCn2cncn2)cc1F ZINC000858092961 740451470 /nfs/dbraw/zinc/45/14/70/740451470.db2.gz OSTFBKDGRMYZOQ-UHFFFAOYSA-N 1 0 295.337 1.802 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000843353599 740519211 /nfs/dbraw/zinc/51/92/11/740519211.db2.gz LSBZDDDXXVZQCL-XPTSAGLGSA-N 1 0 280.343 1.903 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccccc1O ZINC000838911907 740531157 /nfs/dbraw/zinc/53/11/57/740531157.db2.gz BSIAGQJKUAXLQK-WCQYABFASA-N 1 0 262.353 1.959 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C1CCN(OC)CC1 ZINC000817418781 740583999 /nfs/dbraw/zinc/58/39/99/740583999.db2.gz GDXHIJRBJPJEPW-UHFFFAOYSA-N 1 0 266.341 1.516 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000851681021 740794715 /nfs/dbraw/zinc/79/47/15/740794715.db2.gz LYBKIFXPRLSZBD-VHSXEESVSA-N 1 0 281.356 1.369 20 10 CDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000168190806 740675840 /nfs/dbraw/zinc/67/58/40/740675840.db2.gz QUIQUUHYYHMTPB-RNODOKPDSA-N 1 0 296.436 1.380 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH2+]C)cc1 ZINC000848409910 740689919 /nfs/dbraw/zinc/68/99/19/740689919.db2.gz AVHHPVICCWWEMR-LBPRGKRZSA-N 1 0 263.385 1.757 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccccc1O ZINC000858599772 740735981 /nfs/dbraw/zinc/73/59/81/740735981.db2.gz PWXHGOJUQSKOBQ-RYUDHWBXSA-N 1 0 250.342 1.109 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2COC[C@H]2OC)c1O ZINC000842752497 740840419 /nfs/dbraw/zinc/84/04/19/740840419.db2.gz NGAUFQHCHGQILA-DGCLKSJQSA-N 1 0 267.325 1.294 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000840826985 740844120 /nfs/dbraw/zinc/84/41/20/740844120.db2.gz YVRHBTBSAAWXIH-VHRBIJSZSA-N 1 0 251.326 1.765 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000840974328 740806178 /nfs/dbraw/zinc/80/61/78/740806178.db2.gz GMIULDBLABWAJL-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000779499308 741127903 /nfs/dbraw/zinc/12/79/03/741127903.db2.gz MVHQIPPQHAQEOG-DBGMKRSLSA-N 1 0 288.347 1.464 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000848881589 741135541 /nfs/dbraw/zinc/13/55/41/741135541.db2.gz YRIMZBHARAHRBT-CYBMUJFWSA-N 1 0 262.353 1.794 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000843489693 741110625 /nfs/dbraw/zinc/11/06/25/741110625.db2.gz RZQJCSVXCUMTEP-GXFFZTMASA-N 1 0 278.352 1.720 20 10 CDCDRO O=C(OCCC[NH+]1CCCC1)c1cccc(O)c1O ZINC000800203295 741300894 /nfs/dbraw/zinc/30/08/94/741300894.db2.gz KYSRECNIQICLLC-UHFFFAOYSA-N 1 0 265.309 1.741 20 10 CDCDRO COc1ccc(CNC(=O)NCC2([NH+](C)C)CC2)c(O)c1 ZINC000922996873 741306512 /nfs/dbraw/zinc/30/65/12/741306512.db2.gz RWIQNTREJJMNTF-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO C[N@H+](CCN1CCCC1=O)Cc1cc2c(cc1O)OCO2 ZINC000093320438 741348123 /nfs/dbraw/zinc/34/81/23/741348123.db2.gz GWUSVIHAUNHGRK-UHFFFAOYSA-N 1 0 292.335 1.175 20 10 CDCDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(F)ccc1O ZINC000094617641 741349970 /nfs/dbraw/zinc/34/99/70/741349970.db2.gz LUFOZUDPHUURPK-VIFPVBQESA-N 1 0 254.305 1.660 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1ccccc1O ZINC000879648355 741283682 /nfs/dbraw/zinc/28/36/82/741283682.db2.gz LCEZOFMXXGLETL-GFCCVEGCSA-N 1 0 285.347 1.754 20 10 CDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000777219962 741389069 /nfs/dbraw/zinc/38/90/69/741389069.db2.gz OKQSCXRECSWQDR-UKRRQHHQSA-N 1 0 299.342 1.441 20 10 CDCDRO Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(O)c1O ZINC000819719331 741434623 /nfs/dbraw/zinc/43/46/23/741434623.db2.gz UDLIUWKKUFAYGT-WCQYABFASA-N 1 0 290.363 1.572 20 10 CDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000126751642 741489523 /nfs/dbraw/zinc/48/95/23/741489523.db2.gz IMSVPCXNGRAMCW-DGCLKSJQSA-N 1 0 262.353 1.739 20 10 CDCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000828833424 741538210 /nfs/dbraw/zinc/53/82/10/741538210.db2.gz GCNFVOMQSWBACA-VIFPVBQESA-N 1 0 282.315 1.451 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)C[NH3+] ZINC000841962279 741606194 /nfs/dbraw/zinc/60/61/94/741606194.db2.gz HNFBJKBNLMOHTO-LBPRGKRZSA-N 1 0 279.384 1.909 20 10 CDCDRO CC(C)(O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000380352738 741680871 /nfs/dbraw/zinc/68/08/71/741680871.db2.gz YSGOJVBVGUOPJE-UHFFFAOYSA-N 1 0 278.396 1.774 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858134977 741700436 /nfs/dbraw/zinc/70/04/36/741700436.db2.gz XYGYSEOAQPUNLK-AWEZNQCLSA-N 1 0 288.338 1.518 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cccc(C)c1O ZINC000124724595 741712565 /nfs/dbraw/zinc/71/25/65/741712565.db2.gz PXRBSJHAMHBPQL-UHFFFAOYSA-N 1 0 250.342 1.707 20 10 CDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841652788 741810687 /nfs/dbraw/zinc/81/06/87/741810687.db2.gz GDXRPQXUVBWIDI-QWHCGFSZSA-N 1 0 290.411 1.644 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000851792069 741848692 /nfs/dbraw/zinc/84/86/92/741848692.db2.gz KBFRFUSZNGZCGM-LBPRGKRZSA-N 1 0 262.353 1.740 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c(O)c1 ZINC000850342923 741855497 /nfs/dbraw/zinc/85/54/97/741855497.db2.gz OSQVEKZSECHEAP-IUODEOHRSA-N 1 0 281.352 1.542 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c1O ZINC000866679332 741869427 /nfs/dbraw/zinc/86/94/27/741869427.db2.gz NSLHKBHIUWWPHF-RYUDHWBXSA-N 1 0 280.755 1.794 20 10 CDCDRO CN(Cc1cc2c(cc1O)OCO2)CC(C)(C)[NH3+] ZINC000849350761 741870897 /nfs/dbraw/zinc/87/08/97/741870897.db2.gz VIBUFXNCYOTRRF-UHFFFAOYSA-N 1 0 252.314 1.290 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000388089431 741874583 /nfs/dbraw/zinc/87/45/83/741874583.db2.gz CRWJOQMZBQSRKT-ISVAXAHUSA-N 1 0 267.300 1.547 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000835060501 742012602 /nfs/dbraw/zinc/01/26/02/742012602.db2.gz FIJFXPQGEPBSEB-HNNXBMFYSA-N 1 0 261.369 1.511 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000114540857 742081646 /nfs/dbraw/zinc/08/16/46/742081646.db2.gz AOQVSVOPBIXELX-AWEZNQCLSA-N 1 0 280.368 1.603 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(OCCO)CC2)c1 ZINC000775731674 742251969 /nfs/dbraw/zinc/25/19/69/742251969.db2.gz JNUAUHJVLHVXDA-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO CC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000128980219 742256962 /nfs/dbraw/zinc/25/69/62/742256962.db2.gz SDDCEMAWQPQJCZ-MRXNPFEDSA-N 1 0 275.396 1.901 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)[NH3+] ZINC000037807423 742276916 /nfs/dbraw/zinc/27/69/16/742276916.db2.gz PHAGDZYOHURAOQ-GFCCVEGCSA-N 1 0 263.385 1.838 20 10 CDCDRO [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783739641 742147595 /nfs/dbraw/zinc/14/75/95/742147595.db2.gz GPEKJFDNPCWTKF-GXFFZTMASA-N 1 0 253.729 1.860 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000857184288 742174801 /nfs/dbraw/zinc/17/48/01/742174801.db2.gz ARNPOLAQMWCUGZ-NXEZZACHSA-N 1 0 282.315 1.449 20 10 CDCDRO [NH3+]C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000841028584 742360760 /nfs/dbraw/zinc/36/07/60/742360760.db2.gz PXOWFUFIJCVUQY-HNNXBMFYSA-N 1 0 293.386 1.489 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000840933621 742364872 /nfs/dbraw/zinc/36/48/72/742364872.db2.gz QVHDPKOMDAHMIB-ZDUSSCGKSA-N 1 0 261.369 1.381 20 10 CDCDRO CC1(C)C[N@H+](Cc2ccccc2O)C[C@@H](CO)O1 ZINC000817413439 742388981 /nfs/dbraw/zinc/38/89/81/742388981.db2.gz XWDOZUZYMXQSCK-LBPRGKRZSA-N 1 0 251.326 1.364 20 10 CDCDRO Cc1c[nH]c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883283750 742411701 /nfs/dbraw/zinc/41/17/01/742411701.db2.gz RKVATEDWSIMIAI-UHFFFAOYSA-N 1 0 299.422 1.760 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1F ZINC000865663024 742417693 /nfs/dbraw/zinc/41/76/93/742417693.db2.gz PMHHPWPYVZNRBI-TXEJJXNPSA-N 1 0 252.333 1.752 20 10 CDCDRO CCn1nc(C)c(CNCc2cccc(C)c2O)n1 ZINC000822494498 739323661 /nfs/dbraw/zinc/32/36/61/739323661.db2.gz QEASGQMJGAKYPO-UHFFFAOYSA-N 1 0 260.341 1.910 20 10 CDCDRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841656144 739374345 /nfs/dbraw/zinc/37/43/45/739374345.db2.gz WTURSAUSZRYWGI-CYBMUJFWSA-N 1 0 276.384 1.256 20 10 CDCDRO CC[C@@H]([NH2+]CCNCCOC)c1ccc(C)cc1O ZINC000817965100 739399093 /nfs/dbraw/zinc/39/90/93/739399093.db2.gz PLWJAWBTMHQOFW-CQSZACIVSA-N 1 0 266.385 1.977 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCN2C)cc1F ZINC000922574884 739430345 /nfs/dbraw/zinc/43/03/45/739430345.db2.gz RDYRMYRWMIOMKH-NSHDSACASA-N 1 0 269.339 1.825 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000846074591 739480856 /nfs/dbraw/zinc/48/08/56/739480856.db2.gz DGJHEBGKQVEGSM-LLVKDONJSA-N 1 0 290.363 1.501 20 10 CDCDRO CCN1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1=O ZINC000708695611 739708943 /nfs/dbraw/zinc/70/89/43/739708943.db2.gz KPMPLTUHUIIPPW-GWCFXTLKSA-N 1 0 278.352 1.672 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c(O)c1 ZINC000842011323 739734646 /nfs/dbraw/zinc/73/46/46/739734646.db2.gz SKEPBEAHXHEDIS-PWSUYJOCSA-N 1 0 293.367 1.327 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCC(C)(C)O)cc1OC ZINC000776016213 739735660 /nfs/dbraw/zinc/73/56/60/739735660.db2.gz ZNSQXAZNRFZTBC-UHFFFAOYSA-N 1 0 269.341 1.660 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000857069361 740007575 /nfs/dbraw/zinc/00/75/75/740007575.db2.gz ZXMHNJBRRRWIFZ-GFCCVEGCSA-N 1 0 252.289 1.242 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1Cl ZINC000825773621 740180823 /nfs/dbraw/zinc/18/08/23/740180823.db2.gz LVHHEEDIWIBTBA-SDBXPKJASA-N 1 0 282.771 1.968 20 10 CDCDRO OCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000053096749 740205263 /nfs/dbraw/zinc/20/52/63/740205263.db2.gz XGTHTDPXKAWXQQ-UHFFFAOYSA-N 1 0 279.336 1.906 20 10 CDCDRO CCCN1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000817410892 740211614 /nfs/dbraw/zinc/21/16/14/740211614.db2.gz JKLLAIITCQLJBR-NSHDSACASA-N 1 0 280.343 1.879 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659223 740273535 /nfs/dbraw/zinc/27/35/35/740273535.db2.gz UOUWTIJCIIIZKG-CQSZACIVSA-N 1 0 261.369 1.412 20 10 CDCDRO NC(=O)C1(NCc2c(O)cccc2Br)CC1 ZINC000862324429 740343110 /nfs/dbraw/zinc/34/31/10/740343110.db2.gz MJTQNSURCINHFR-UHFFFAOYSA-N 1 0 285.141 1.262 20 10 CDCDRO C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[C@H](C)[NH3+] ZINC000830597520 740362270 /nfs/dbraw/zinc/36/22/70/740362270.db2.gz MPJOGONMPVGTBD-MNOVXSKESA-N 1 0 276.380 1.871 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]2O)cc1OC ZINC000877701066 740527628 /nfs/dbraw/zinc/52/76/28/740527628.db2.gz JCXUNMUVEHXLPN-QWRGUYRKSA-N 1 0 267.325 1.412 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC000817414994 740556133 /nfs/dbraw/zinc/55/61/33/740556133.db2.gz QJQAWYLHTRQNQF-PWSUYJOCSA-N 1 0 251.326 1.746 20 10 CDCDRO CCCCNC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000850587328 740805311 /nfs/dbraw/zinc/80/53/11/740805311.db2.gz WNXAXKLXECRNDY-CQSZACIVSA-N 1 0 278.400 1.852 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)CO[C@H]2CCOC2)c(O)c1 ZINC000877092865 740815916 /nfs/dbraw/zinc/81/59/16/740815916.db2.gz MEYLTAZDDVSXIK-JSGCOSHPSA-N 1 0 265.353 1.984 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCc2nc(C)n[nH]2)c1O ZINC000846162871 740858873 /nfs/dbraw/zinc/85/88/73/740858873.db2.gz NLLOZKTZPUDJKD-SECBINFHSA-N 1 0 276.340 1.721 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)CC2 ZINC000846211018 740904185 /nfs/dbraw/zinc/90/41/85/740904185.db2.gz FLPCSTGFJURHRV-BBRMVZONSA-N 1 0 277.364 1.901 20 10 CDCDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834858834 740962488 /nfs/dbraw/zinc/96/24/88/740962488.db2.gz XNYZQMQPLSPOGT-ZDUSSCGKSA-N 1 0 261.369 1.316 20 10 CDCDRO CCC[NH2+][C@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001020352270 741041645 /nfs/dbraw/zinc/04/16/45/741041645.db2.gz GGOKLDDHRLBCEA-HAQNSBGRSA-N 1 0 293.367 1.359 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000878984632 741052285 /nfs/dbraw/zinc/05/22/85/741052285.db2.gz VYLQBCXTOIMZLC-LSDHHAIUSA-N 1 0 264.369 1.070 20 10 CDCDRO COc1ccc(CNC(=O)C[NH2+]CC2CC2)c(O)c1 ZINC000832178583 741166856 /nfs/dbraw/zinc/16/68/56/741166856.db2.gz SRRWJAPFJTWXCZ-UHFFFAOYSA-N 1 0 264.325 1.017 20 10 CDCDRO C[N@H+](CC(=O)NCCc1ccc(O)c(O)c1)CC(C)(C)C ZINC000821061850 741152797 /nfs/dbraw/zinc/15/27/97/741152797.db2.gz YPAUHMGKYSDTDY-UHFFFAOYSA-N 1 0 294.395 1.734 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000848426751 741208057 /nfs/dbraw/zinc/20/80/57/741208057.db2.gz FXANICSNTCQUDK-GXTWGEPZSA-N 1 0 292.379 1.508 20 10 CDCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312315701 741266849 /nfs/dbraw/zinc/26/68/49/741266849.db2.gz AXXFINGJVOKTCM-GFCCVEGCSA-N 1 0 295.814 1.525 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CC2(C)COC2)cc1OC ZINC000862477366 741319123 /nfs/dbraw/zinc/31/91/23/741319123.db2.gz KRUMTTBSFNGPAO-UHFFFAOYSA-N 1 0 281.352 1.878 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(O)c1 ZINC000779199485 741360996 /nfs/dbraw/zinc/36/09/96/741360996.db2.gz BAFUPQRBKUMAPD-RISCZKNCSA-N 1 0 265.353 1.994 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841858132 741420284 /nfs/dbraw/zinc/42/02/84/741420284.db2.gz ZMLWDDQLNPLBEJ-GXTWGEPZSA-N 1 0 259.353 1.022 20 10 CDCDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000840964544 741431896 /nfs/dbraw/zinc/43/18/96/741431896.db2.gz NORGSXAMYUMNMZ-UHFFFAOYSA-N 1 0 289.784 1.712 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCc3nnnn3CC2)cc1C ZINC000817419698 741457305 /nfs/dbraw/zinc/45/73/05/741457305.db2.gz WCEXJAXXDOCNHI-ZDUSSCGKSA-N 1 0 287.367 1.490 20 10 CDCDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(O)c1O ZINC000126344627 741705709 /nfs/dbraw/zinc/70/57/09/741705709.db2.gz LWZPMQQNOSTQSU-UHFFFAOYSA-N 1 0 280.368 1.758 20 10 CDCDRO CNC(=O)C1([NH2+]Cc2cccc(OC)c2O)CCCC1 ZINC000779173148 741834286 /nfs/dbraw/zinc/83/42/86/741834286.db2.gz BNMIVRKHWACYPY-UHFFFAOYSA-N 1 0 278.352 1.549 20 10 CDCDRO C[NH2+]CCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828667904 741885837 /nfs/dbraw/zinc/88/58/37/741885837.db2.gz WFMHBSIWFUHSQJ-VIFPVBQESA-N 1 0 252.314 1.188 20 10 CDCDRO Cc1cccc(C[NH2+]CCS(=O)(=O)N2CCCC2)c1O ZINC000721874688 741921121 /nfs/dbraw/zinc/92/11/21/741921121.db2.gz SIYMPSWLNMJEPH-UHFFFAOYSA-N 1 0 298.408 1.216 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCN2CCCC2=O)cc1 ZINC000097153207 742088288 /nfs/dbraw/zinc/08/82/88/742088288.db2.gz AHAGGOVHUILTAQ-UHFFFAOYSA-N 1 0 275.396 1.807 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(F)ccc1O ZINC000094617777 742222592 /nfs/dbraw/zinc/22/25/92/742222592.db2.gz BDASQGKJRDNOHA-ONGXEEELSA-N 1 0 255.289 1.597 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000858547199 742269978 /nfs/dbraw/zinc/26/99/78/742269978.db2.gz FKGJRQVNBYRSLM-XJKSGUPXSA-N 1 0 277.412 1.470 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1O ZINC000783507647 742483857 /nfs/dbraw/zinc/48/38/57/742483857.db2.gz CVYDOBVYQFQNRI-CHWSQXEVSA-N 1 0 264.369 1.764 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000827901967 742508971 /nfs/dbraw/zinc/50/89/71/742508971.db2.gz XHAHONJWFRALGT-SECBINFHSA-N 1 0 253.321 1.245 20 10 CDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094867 742525205 /nfs/dbraw/zinc/52/52/05/742525205.db2.gz OGBMGCXBTKMNJN-UHFFFAOYSA-N 1 0 289.379 1.562 20 10 CDCDRO CN1CC[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922575384 742576513 /nfs/dbraw/zinc/57/65/13/742576513.db2.gz YFBCVTJOVXREQK-INIZCTEOSA-N 1 0 289.423 1.441 20 10 CDCDRO CS(=O)(=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816541642 742610368 /nfs/dbraw/zinc/61/03/68/742610368.db2.gz RATXNKBLJNKYFG-UHFFFAOYSA-N 1 0 279.361 1.680 20 10 CDCDRO C[C@H]([NH2+]CCN1CCNC1=O)c1ccc(Cl)cc1O ZINC000886744773 742673433 /nfs/dbraw/zinc/67/34/33/742673433.db2.gz GJNSWBBBQQQCCT-VIFPVBQESA-N 1 0 283.759 1.721 20 10 CDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000069142254 742806161 /nfs/dbraw/zinc/80/61/61/742806161.db2.gz HKMHNORFPSIOPM-NSHDSACASA-N 1 0 289.784 1.712 20 10 CDCDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000305726421 742810137 /nfs/dbraw/zinc/81/01/37/742810137.db2.gz HGEMMLROQQQGCE-AWEZNQCLSA-N 1 0 294.370 1.619 20 10 CDCDRO COCC[C@H]([NH3+])CNCc1ccc(N(C)C)cc1C ZINC001579003825 1167696961 /nfs/dbraw/zinc/69/69/61/1167696961.db2.gz LVRXDZAIEGEDOL-AWEZNQCLSA-N 1 0 265.401 1.514 20 10 CDCDRO C[N@H+](CCC1OCCO1)Cc1cc(O)ccc1O 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251.326 1.666 20 10 CDCDRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001334754654 959331884 /nfs/dbraw/zinc/33/18/84/959331884.db2.gz QKDXVBBWSBNJAQ-CQSZACIVSA-N 1 0 297.424 1.173 20 10 CDCDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001335557031 959889004 /nfs/dbraw/zinc/88/90/04/959889004.db2.gz ZRLIVZXLCWVBFC-LLVKDONJSA-N 1 0 264.373 1.586 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001324379515 961340713 /nfs/dbraw/zinc/34/07/13/961340713.db2.gz WIYDOIWOORWIHZ-WCQYABFASA-N 1 0 262.353 1.537 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@H](O)C[NH3+])cc1 ZINC001340788728 963127464 /nfs/dbraw/zinc/12/74/64/963127464.db2.gz DVWGDLQRTZYDPS-HNNXBMFYSA-N 1 0 293.411 1.201 20 10 CDCDRO Nc1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC001342701447 963802010 /nfs/dbraw/zinc/80/20/10/963802010.db2.gz YSUDDKPLMNJURM-ZFWWWQNUSA-N 1 0 259.353 1.275 20 10 CDCDRO CCc1cccc(C[NH2+]CC2CCS(=O)(=O)CC2)c1O ZINC000848900915 969342536 /nfs/dbraw/zinc/34/25/36/969342536.db2.gz QVBOFFOSNLNQDK-UHFFFAOYSA-N 1 0 297.420 1.869 20 10 CDCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001356228816 969360595 /nfs/dbraw/zinc/36/05/95/969360595.db2.gz VDLSJTXOJPHEFC-AWEZNQCLSA-N 1 0 261.369 1.759 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001357267973 969562316 /nfs/dbraw/zinc/56/23/16/969562316.db2.gz CQYBBSYKVKNLEH-HBNTYKKESA-N 1 0 297.449 1.882 20 10 CDCDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593265156 994570497 /nfs/dbraw/zinc/57/04/97/994570497.db2.gz QJUFFIAEPOCEMI-GHMZBOCLSA-N 1 0 278.352 1.741 20 10 CDCDRO C[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[NH2+]1 ZINC001576667907 1171485856 /nfs/dbraw/zinc/48/58/56/1171485856.db2.gz WLHWZUHSKLYLJJ-JOYOIKCWSA-N 1 0 289.339 1.719 20 10 CDCDRO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1O ZINC000274440813 365667793 /nfs/dbraw/zinc/66/77/93/365667793.db2.gz BWNTWCVRRUBGOX-UHFFFAOYSA-N 1 0 289.335 1.592 20 10 CDCDRO CN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592478097 342699396 /nfs/dbraw/zinc/69/93/96/342699396.db2.gz WJPKTIIDOAOBLP-GFCCVEGCSA-N 1 0 284.363 1.996 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1O ZINC000091899628 342409010 /nfs/dbraw/zinc/40/90/10/342409010.db2.gz OUUSADQMXYOIEU-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@H](CCCCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295125190 199358606 /nfs/dbraw/zinc/35/86/06/199358606.db2.gz XEDRHIGHBQKXAJ-JTQLQIEISA-N 1 0 267.325 1.762 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)N(C)C ZINC000276612983 366072108 /nfs/dbraw/zinc/07/21/08/366072108.db2.gz FXUHKVUOHUYSHO-JTQLQIEISA-N 1 0 267.348 1.458 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000179670659 357219860 /nfs/dbraw/zinc/21/98/60/357219860.db2.gz YZCJGJPTJXEZFA-UHFFFAOYSA-N 1 0 262.353 1.681 20 10 CDCDRO Cc1cccc(C[N@H+](C)CCN2CCOCC2)c1O ZINC000180023360 357237325 /nfs/dbraw/zinc/23/73/25/357237325.db2.gz ZNOQIKIQOZLLJA-UHFFFAOYSA-N 1 0 264.369 1.465 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000180081874 357242280 /nfs/dbraw/zinc/24/22/80/357242280.db2.gz QJUPQJSOGILEOK-ZDUSSCGKSA-N 1 0 276.315 1.960 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000187670392 357793083 /nfs/dbraw/zinc/79/30/83/357793083.db2.gz RFKKDQCGENEPHY-HOTGVXAUSA-N 1 0 278.396 1.460 20 10 CDCDRO C[C@H]1[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCS1(=O)=O ZINC000294057294 358669328 /nfs/dbraw/zinc/66/93/28/358669328.db2.gz XMZFVJFLJXCWRV-KWQFWETISA-N 1 0 289.784 1.711 20 10 CDCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226610497 359703655 /nfs/dbraw/zinc/70/36/55/359703655.db2.gz ONUAIZSMICXJPS-QPUJVOFHSA-N 1 0 259.346 1.733 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000226617271 359704708 /nfs/dbraw/zinc/70/47/08/359704708.db2.gz WSQBPQMTRHNGSI-UHFFFAOYSA-N 1 0 254.305 1.393 20 10 CDCDRO C[C@H]1CN(c2ccc(CNC(=O)C[NH3+])cc2F)C[C@H](C)O1 ZINC000269235414 364165726 /nfs/dbraw/zinc/16/57/26/364165726.db2.gz GMCPIOHTCMTWIQ-QWRGUYRKSA-N 1 0 295.358 1.014 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000271840703 365001484 /nfs/dbraw/zinc/00/14/84/365001484.db2.gz QQGJYHJFCFKVMQ-NSHDSACASA-N 1 0 279.258 1.804 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)CCOC)c1 ZINC000172072805 365465190 /nfs/dbraw/zinc/46/51/90/365465190.db2.gz QCDWIYPHOGMGMS-OAHLLOKOSA-N 1 0 283.368 1.668 20 10 CDCDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000273718694 365520986 /nfs/dbraw/zinc/52/09/86/365520986.db2.gz HSCXLFQZHFXASA-CYBMUJFWSA-N 1 0 293.342 1.567 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273364275 365489116 /nfs/dbraw/zinc/48/91/16/365489116.db2.gz BBQTUSFAZCXCEH-QWRGUYRKSA-N 1 0 276.340 1.732 20 10 CDCDRO CC[C@H](NCc1ncn(C)n1)c1ccc(F)cc1O ZINC000285948270 368677135 /nfs/dbraw/zinc/67/71/35/368677135.db2.gz DUMJPOLUEQGSGA-NSHDSACASA-N 1 0 264.304 1.901 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1O ZINC000294819501 371093201 /nfs/dbraw/zinc/09/32/01/371093201.db2.gz GOUCDIPPWYHJCG-SNVBAGLBSA-N 1 0 296.342 1.841 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000294999891 371115231 /nfs/dbraw/zinc/11/52/31/371115231.db2.gz ICXQAPVNTVYLRK-CZUORRHYSA-N 1 0 273.380 1.317 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nc(C)n[nH]2)c1 ZINC000273367838 371160984 /nfs/dbraw/zinc/16/09/84/371160984.db2.gz ABJLIJZSEKHKNB-SECBINFHSA-N 1 0 276.340 1.721 20 10 CDCDRO CN(C)C(=O)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297766251 371459089 /nfs/dbraw/zinc/45/90/89/371459089.db2.gz OZROKYJJSCMFRH-LBPRGKRZSA-N 1 0 262.353 1.838 20 10 CDCDRO Oc1cc(F)c(F)cc1CN[C@@H]1C[NH2+]CC12CC2 ZINC001580888488 1172566122 /nfs/dbraw/zinc/56/61/22/1172566122.db2.gz MODGXTJUJRJYJN-GFCCVEGCSA-N 1 0 254.280 1.512 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)CSC)c1 ZINC000120616311 390873770 /nfs/dbraw/zinc/87/37/70/390873770.db2.gz NSXDLYRLUOQKFB-AWEZNQCLSA-N 1 0 285.409 1.995 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCS(=O)(=O)C(C)C)c1 ZINC000290273624 390810796 /nfs/dbraw/zinc/81/07/96/390810796.db2.gz YECPYEBTLUSPDW-UHFFFAOYSA-N 1 0 287.381 1.314 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000124718325 391223972 /nfs/dbraw/zinc/22/39/72/391223972.db2.gz BAWJKZCPZYQMDU-LBPRGKRZSA-N 1 0 262.353 1.801 20 10 CDCDRO OCC[N@H+](CCOCC(F)(F)F)Cc1ccccc1O ZINC000179573466 391211473 /nfs/dbraw/zinc/21/14/73/391211473.db2.gz VAGKTHUYBRDFDQ-UHFFFAOYSA-N 1 0 293.285 1.765 20 10 CDCDRO O=C(C[NH2+]Cc1cc(Br)ccc1O)NC1CC1 ZINC000227436459 392018780 /nfs/dbraw/zinc/01/87/80/392018780.db2.gz LBCRQAHUSCQSCQ-UHFFFAOYSA-N 1 0 299.168 1.523 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C[NH2+]C3CC3)CC2)cc1 ZINC000004856139 134651741 /nfs/dbraw/zinc/65/17/41/134651741.db2.gz WRJGXIZPCJYYSB-UHFFFAOYSA-N 1 0 289.379 1.096 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](CO)CCOC)c1ccccc1O ZINC000281711811 286924452 /nfs/dbraw/zinc/92/44/52/286924452.db2.gz UAZLHSFMKHKGLD-DGCLKSJQSA-N 1 0 253.342 1.830 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000164296294 261346804 /nfs/dbraw/zinc/34/68/04/261346804.db2.gz IJFLQCAIDPEGMV-VPTHRUTESA-N 1 0 261.774 1.902 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c1 ZINC000186177563 262082443 /nfs/dbraw/zinc/08/24/43/262082443.db2.gz ZFWRFAQUJIQDOK-BXUZGUMPSA-N 1 0 251.326 1.503 20 10 CDCDRO CC(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000184922056 262300309 /nfs/dbraw/zinc/30/03/09/262300309.db2.gz PGUMQULXHPIIIK-SECBINFHSA-N 1 0 254.305 1.708 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC2CC2)c1 ZINC000186505154 327916944 /nfs/dbraw/zinc/91/69/44/327916944.db2.gz VJPAQAHCGYHZNC-LLVKDONJSA-N 1 0 262.353 1.877 20 10 CDCDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000378133044 329041028 /nfs/dbraw/zinc/04/10/28/329041028.db2.gz RFYSEANAJWDEPD-MRXNPFEDSA-N 1 0 293.363 1.961 20 10 CDCDRO CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000169093865 329063676 /nfs/dbraw/zinc/06/36/76/329063676.db2.gz SHTDSHVCSUBTGG-SNVBAGLBSA-N 1 0 259.733 1.915 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000237945625 329695157 /nfs/dbraw/zinc/69/51/57/329695157.db2.gz JUPSCJBWRDBOMH-CQSZACIVSA-N 1 0 273.380 1.317 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667182 334384595 /nfs/dbraw/zinc/38/45/95/334384595.db2.gz GIANITUMOFASPP-UONOGXRCSA-N 1 0 296.798 1.998 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667608 334384662 /nfs/dbraw/zinc/38/46/62/334384662.db2.gz MHUDNJVWODOPHY-IRXDYDNUSA-N 1 0 289.423 1.705 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000265289646 521152310 /nfs/dbraw/zinc/15/23/10/521152310.db2.gz ZAWRDGVGWQGWHQ-AWEZNQCLSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(CO)CC2)c1O ZINC000127064299 521337020 /nfs/dbraw/zinc/33/70/20/521337020.db2.gz PWLKUXSJKWQENC-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000040825782 522203495 /nfs/dbraw/zinc/20/34/95/522203495.db2.gz JANWOUZZYBGOJI-ZDUSSCGKSA-N 1 0 261.369 1.368 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@]2(CCO)CCOC2)cc1OC ZINC000278703704 522782616 /nfs/dbraw/zinc/78/26/16/522782616.db2.gz NXHIGCAAFSWGPU-OAHLLOKOSA-N 1 0 297.351 1.041 20 10 CDCDRO COCC1(C[NH2+]Cc2cccc(OC)c2O)CCOCC1 ZINC000291772547 522900741 /nfs/dbraw/zinc/90/07/41/522900741.db2.gz SZNDAMWYXVVTAF-UHFFFAOYSA-N 1 0 295.379 1.934 20 10 CDCDRO COCCN(C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000061375293 523611104 /nfs/dbraw/zinc/61/11/04/523611104.db2.gz GLLJJOHUPKNUFQ-GFCCVEGCSA-N 1 0 282.384 1.630 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1OC ZINC000234860124 523738912 /nfs/dbraw/zinc/73/89/12/523738912.db2.gz WQPZWBKRIMHKFX-OKILXGFUSA-N 1 0 251.326 1.546 20 10 CDCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2O)C1 ZINC000278707115 524033715 /nfs/dbraw/zinc/03/37/15/524033715.db2.gz OHUYZHIQRQCOMO-DZGCQCFKSA-N 1 0 295.379 1.238 20 10 CDCDRO C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@@H](C[NH3+])C1 ZINC000261672192 524451133 /nfs/dbraw/zinc/45/11/33/524451133.db2.gz CSTMARSGWGKZJF-BXUZGUMPSA-N 1 0 261.369 1.397 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(O)c1O ZINC000279305001 524572338 /nfs/dbraw/zinc/57/23/38/524572338.db2.gz NUBJQVXTOIGKOL-JOYOIKCWSA-N 1 0 276.336 1.310 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCOC2)O1 ZINC000280241873 524610947 /nfs/dbraw/zinc/61/09/47/524610947.db2.gz KOHNFGLNHMOOSU-XHDPSFHLSA-N 1 0 281.327 1.911 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC[C@H](C)CO)c1 ZINC000224939347 524749951 /nfs/dbraw/zinc/74/99/51/524749951.db2.gz OXKUZRYFWCYYIY-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280893295 525362788 /nfs/dbraw/zinc/36/27/88/525362788.db2.gz PGKXLPRXMPMOJI-MJBXVCDLSA-N 1 0 279.380 1.996 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000038083399 525486682 /nfs/dbraw/zinc/48/66/82/525486682.db2.gz ILYMOGJWYUVPTK-OLZOCXBDSA-N 1 0 296.436 1.838 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c(O)c1 ZINC000068800529 525924503 /nfs/dbraw/zinc/92/45/03/525924503.db2.gz KPPGIUKOZPLNFD-KBPBESRZSA-N 1 0 277.412 1.597 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000237948656 527481173 /nfs/dbraw/zinc/48/11/73/527481173.db2.gz YYUZQERYQNXODS-QGZVFWFLSA-N 1 0 295.386 1.642 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)Cn2cncn2)c(O)c1 ZINC000725849118 574444389 /nfs/dbraw/zinc/44/43/89/574444389.db2.gz IAVOIQSIYJMWIW-JTQLQIEISA-N 1 0 262.313 1.171 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000729535368 574814862 /nfs/dbraw/zinc/81/48/62/574814862.db2.gz QBLXCJGELOFLPV-GHMZBOCLSA-N 1 0 278.352 1.530 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1 ZINC000754152921 575000332 /nfs/dbraw/zinc/00/03/32/575000332.db2.gz AZMLXONGXHODHI-GASCZTMLSA-N 1 0 281.352 1.637 20 10 CDCDRO C[NH+](C)CC(C)(C)CNC(=O)C1=CC(=O)CS1 ZINC000732264691 575084739 /nfs/dbraw/zinc/08/47/39/575084739.db2.gz IIOBJLPGTXATQD-UHFFFAOYSA-N 1 0 256.371 1.771 20 10 CDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C1=CC(=O)CS1 ZINC000732284380 575086804 /nfs/dbraw/zinc/08/68/04/575086804.db2.gz RQYWWMRYFQVQTO-SECBINFHSA-N 1 0 256.371 1.914 20 10 CDCDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1=CC(=O)CS1 ZINC000732289950 575087095 /nfs/dbraw/zinc/08/70/95/575087095.db2.gz FITOTHHJEHAJHL-SNVBAGLBSA-N 1 0 266.366 1.668 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)CSC ZINC000738440033 576074836 /nfs/dbraw/zinc/07/48/36/576074836.db2.gz KVCJUFIZDUFKJS-ZDUSSCGKSA-N 1 0 271.382 1.604 20 10 CDCDRO OCCC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000769404202 576352235 /nfs/dbraw/zinc/35/22/35/576352235.db2.gz KJPHRVZSILHJGE-UHFFFAOYSA-N 1 0 290.407 1.870 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000769445731 576354227 /nfs/dbraw/zinc/35/42/27/576354227.db2.gz IMDWSYZARVYGIK-UHFFFAOYSA-N 1 0 290.363 1.503 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)c(O)c1 ZINC000769463732 576356200 /nfs/dbraw/zinc/35/62/00/576356200.db2.gz PKQUGGMFUKDWJN-ZDUSSCGKSA-N 1 0 278.352 1.453 20 10 CDCDRO CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC000769481962 576357839 /nfs/dbraw/zinc/35/78/39/576357839.db2.gz DGHNDYZBIKZYQZ-ZBFHGGJFSA-N 1 0 292.379 1.306 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000742370720 576598320 /nfs/dbraw/zinc/59/83/20/576598320.db2.gz KNYBFVYHXRQUCD-CQSZACIVSA-N 1 0 253.342 1.496 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1(O)CCC1 ZINC000764141045 576782061 /nfs/dbraw/zinc/78/20/61/576782061.db2.gz TZBYVFJFDKDBBC-UHFFFAOYSA-N 1 0 290.407 1.870 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1F ZINC000748241584 576902875 /nfs/dbraw/zinc/90/28/75/576902875.db2.gz AKRNYPOXIBIGFD-CYBMUJFWSA-N 1 0 279.359 1.602 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c(O)c1C ZINC000756554799 576995293 /nfs/dbraw/zinc/99/52/93/576995293.db2.gz JEMUODOSNHXXPQ-OLZOCXBDSA-N 1 0 266.385 1.582 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000750816967 577007911 /nfs/dbraw/zinc/00/79/11/577007911.db2.gz FVKSLYGDLMPPFW-VXGBXAGGSA-N 1 0 278.327 1.385 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CO)CC(F)F)c(O)c1 ZINC000758613852 577122214 /nfs/dbraw/zinc/12/22/14/577122214.db2.gz NZOUGGPFXZMGFD-SNVBAGLBSA-N 1 0 275.295 1.897 20 10 CDCDRO COc1ccc(C[NH+]2CCC(C)(O)CC2)c(O)c1OC ZINC000892054973 617450367 /nfs/dbraw/zinc/45/03/67/617450367.db2.gz FEGRIYRWDGUKTI-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000892146192 617506492 /nfs/dbraw/zinc/50/64/92/617506492.db2.gz NTFIZIKSOMHCAX-KXUCPTDWSA-N 1 0 251.330 1.488 20 10 CDCDRO COc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(O)c1OC ZINC000892251619 617579228 /nfs/dbraw/zinc/57/92/28/617579228.db2.gz JRIHNQTZZXFBEG-VXGBXAGGSA-N 1 0 278.352 1.061 20 10 CDCDRO O=C(NCC[NH2+]C1CC1)N1Cc2cccc(O)c2C1 ZINC000891988201 617954124 /nfs/dbraw/zinc/95/41/24/617954124.db2.gz DBWCPCIOXLSQHZ-UHFFFAOYSA-N 1 0 261.325 1.169 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)Cn2cncn2)c(O)c1OC ZINC000892686192 617591015 /nfs/dbraw/zinc/59/10/15/617591015.db2.gz HQIFIUYELDGJIL-SNVBAGLBSA-N 1 0 292.339 1.179 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](O)CC(C)C)c(O)c1OC ZINC000892750178 617698467 /nfs/dbraw/zinc/69/84/67/617698467.db2.gz RLQZSTAUHHAVIW-LBPRGKRZSA-N 1 0 283.368 1.906 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000840974751 617948028 /nfs/dbraw/zinc/94/80/28/617948028.db2.gz NYNQAGALZABESW-NSHDSACASA-N 1 0 281.375 1.894 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CO)C2)c1O ZINC000893864693 618100918 /nfs/dbraw/zinc/10/09/18/618100918.db2.gz YUPIQXCUBRYWKJ-LBPRGKRZSA-N 1 0 265.353 1.914 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000795584007 618390312 /nfs/dbraw/zinc/39/03/12/618390312.db2.gz VDYNZBZUZVJZQW-VXGBXAGGSA-N 1 0 281.352 1.135 20 10 CDCDRO C[NH2+]CCCN(C)Cc1cc(OC)c(OC)cc1O ZINC000841104804 618683253 /nfs/dbraw/zinc/68/32/53/618683253.db2.gz SSBGNXLIVCLPHD-UHFFFAOYSA-N 1 0 268.357 1.451 20 10 CDCDRO CCOc1ccc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c(O)c1 ZINC000843057041 618691385 /nfs/dbraw/zinc/69/13/85/618691385.db2.gz FOBBUMIEQGLBFN-XHDPSFHLSA-N 1 0 280.368 1.339 20 10 CDCDRO C[C@H]([NH3+])CNC(=O)NCCCSc1nccs1 ZINC000841855917 618760356 /nfs/dbraw/zinc/76/03/56/618760356.db2.gz DERGQXFBHLSWLG-QMMMGPOBSA-N 1 0 274.415 1.272 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000894455457 618896322 /nfs/dbraw/zinc/89/63/22/618896322.db2.gz CLIZGPFSUABOLF-AWEZNQCLSA-N 1 0 292.379 1.226 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC2(CO)CC2)c1O ZINC000894915692 619142120 /nfs/dbraw/zinc/14/21/20/619142120.db2.gz WBABGUUHZPWADX-UHFFFAOYSA-N 1 0 265.353 1.961 20 10 CDCDRO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1O ZINC000895118862 619311094 /nfs/dbraw/zinc/31/10/94/619311094.db2.gz QMJMVCVDITVSMJ-SDDRHHMPSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1ccc(C[N@H+](C)C[C@@H]2COCCO2)c(O)c1OC ZINC000895366117 619606698 /nfs/dbraw/zinc/60/66/98/619606698.db2.gz YJROWVPCQYKYCI-GFCCVEGCSA-N 1 0 297.351 1.257 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CC(C)=NO2)c(O)c1OC ZINC000895429724 619656263 /nfs/dbraw/zinc/65/62/63/619656263.db2.gz TWYUMBQGUYTMIU-LLVKDONJSA-N 1 0 280.324 1.664 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c(O)c1OC ZINC000895515601 619705762 /nfs/dbraw/zinc/70/57/62/619705762.db2.gz WPIQZJWFKBEPMB-DGCLKSJQSA-N 1 0 295.379 1.860 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000895747405 619821811 /nfs/dbraw/zinc/82/18/11/619821811.db2.gz HLNZUOTZHRMZEX-UONOGXRCSA-N 1 0 295.379 1.729 20 10 CDCDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2O)[C@@H](C)C(=O)N1C ZINC000895923328 619902458 /nfs/dbraw/zinc/90/24/58/619902458.db2.gz WQDSXNUJGWGSAD-WOPDTQHZSA-N 1 0 262.353 1.832 20 10 CDCDRO Cc1cc(Br)cc(C[NH2+]CCCON)c1O ZINC000904456192 626301189 /nfs/dbraw/zinc/30/11/89/626301189.db2.gz GALOFKJITAWBBT-UHFFFAOYSA-N 1 0 289.173 1.833 20 10 CDCDRO COc1ccc(O)c(CNC(=O)NCC2([NH+](C)C)CC2)c1 ZINC000918746619 632436983 /nfs/dbraw/zinc/43/69/83/632436983.db2.gz ZGDYSRLVCXPTJC-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604342456 1163160277 /nfs/dbraw/zinc/16/02/77/1163160277.db2.gz WJAFWYFJRFFVHC-IUCAKERBSA-N 1 0 252.314 1.478 20 10 CDCDRO COC1CC(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000876507301 1165858751 /nfs/dbraw/zinc/85/87/51/1165858751.db2.gz ZYLOFSRQKCFPRL-ZALBZXLWSA-N 1 0 291.395 1.294 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC000133346710 1175803156 /nfs/dbraw/zinc/80/31/56/1175803156.db2.gz MJSMVBCJMPKHKK-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000323076466 742841866 /nfs/dbraw/zinc/84/18/66/742841866.db2.gz XUJGZYQZDYNCPR-NWDGAFQWSA-N 1 0 263.385 1.928 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c(O)c1 ZINC000848429977 742851276 /nfs/dbraw/zinc/85/12/76/742851276.db2.gz ZMUVRBUGMGGKCM-CZUORRHYSA-N 1 0 290.363 1.407 20 10 CDCDRO Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(O)c1O ZINC000838147198 742861179 /nfs/dbraw/zinc/86/11/79/742861179.db2.gz ONODLDIRGDMUND-LBPRGKRZSA-N 1 0 292.379 1.868 20 10 CDCDRO COc1cccc(CN2CC[NH+](CC(C)(C)O)CC2)c1O ZINC000129994603 742876386 /nfs/dbraw/zinc/87/63/86/742876386.db2.gz ZELOGXVFYKVKFG-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO CCn1cc(C[NH2+]Cc2cc(C)c(C)cc2O)nn1 ZINC000850366359 743054854 /nfs/dbraw/zinc/05/48/54/743054854.db2.gz VFEWUUZPLGOSMW-UHFFFAOYSA-N 1 0 260.341 1.910 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000825942877 743056564 /nfs/dbraw/zinc/05/65/64/743056564.db2.gz NLXOCWMLWBHQOK-DOTOQJQBSA-N 1 0 287.407 1.711 20 10 CDCDRO C[C@H](NCc1ccc(N(C)C)cc1)c1cnn(C)n1 ZINC000924573677 743331042 /nfs/dbraw/zinc/33/10/42/743331042.db2.gz JOQWGMVMNLPWMO-NSHDSACASA-N 1 0 259.357 1.732 20 10 CDCDRO COc1cccc(O)c1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857226529 743361770 /nfs/dbraw/zinc/36/17/70/743361770.db2.gz QNMLAYQGMUXPGL-XHDPSFHLSA-N 1 0 262.353 1.714 20 10 CDCDRO CCOc1ccc(N(C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000809948744 743518695 /nfs/dbraw/zinc/51/86/95/743518695.db2.gz LGNTWKZDFKPVMF-HNNXBMFYSA-N 1 0 278.396 1.977 20 10 CDCDRO O[C@H]1CCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922298448 743571834 /nfs/dbraw/zinc/57/18/34/743571834.db2.gz IXDQEDISSTVVGZ-HNNXBMFYSA-N 1 0 276.380 1.168 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000877614061 743617174 /nfs/dbraw/zinc/61/71/74/743617174.db2.gz UQSWTPZBZZKFBB-LBPRGKRZSA-N 1 0 274.364 1.801 20 10 CDCDRO CN1CCCc2cc(CNC(=O)CC3([NH3+])CCC3)ccc21 ZINC000237128155 745033183 /nfs/dbraw/zinc/03/31/83/745033183.db2.gz WHHXQFDCUKHOEY-UHFFFAOYSA-N 1 0 287.407 1.957 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCNC1=O ZINC000839196284 745284037 /nfs/dbraw/zinc/28/40/37/745284037.db2.gz UMDPCGFPKDWSKQ-JTQLQIEISA-N 1 0 264.325 1.017 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(Cl)c1[O-] ZINC000817944498 745324862 /nfs/dbraw/zinc/32/48/62/745324862.db2.gz FBPIJJHFFVGGKH-CQSZACIVSA-N 1 0 297.830 1.992 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877499945 745344832 /nfs/dbraw/zinc/34/48/32/745344832.db2.gz MVCRCKSXYRXZRS-GFCCVEGCSA-N 1 0 269.366 1.320 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000164287493 745368086 /nfs/dbraw/zinc/36/80/86/745368086.db2.gz FSSFKQVUYKKDNM-BCTVWOGZSA-N 1 0 261.774 1.902 20 10 CDCDRO CN1CCC[NH+]=C1NCc1cc(Cl)ccc1O ZINC000849050310 745372148 /nfs/dbraw/zinc/37/21/48/745372148.db2.gz ZCNZEEWTYAQHFP-UHFFFAOYSA-N 1 0 253.733 1.827 20 10 CDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000824708046 745384036 /nfs/dbraw/zinc/38/40/36/745384036.db2.gz CXDLVMAYVDHTQX-SWLSCSKDSA-N 1 0 265.353 1.842 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC000843434045 745410832 /nfs/dbraw/zinc/41/08/32/745410832.db2.gz GYWKOMBIHCKWRI-QWHCGFSZSA-N 1 0 279.336 1.056 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC(=O)NC(C)C)cc1Cl ZINC000825037424 745428655 /nfs/dbraw/zinc/42/86/55/745428655.db2.gz BOJYBEYUEMTVSJ-UHFFFAOYSA-N 1 0 270.760 1.968 20 10 CDCDRO CN1CCCc2cc(CNC(=[NH2+])NCC(F)F)ccc21 ZINC000887352733 745494479 /nfs/dbraw/zinc/49/44/79/745494479.db2.gz LXRAINLRPSGQIA-UHFFFAOYSA-N 1 0 282.338 1.948 20 10 CDCDRO C[C@@H](NCc1ncnn1CCF)c1ccccc1O ZINC000879648887 745545207 /nfs/dbraw/zinc/54/52/07/745545207.db2.gz FDNBCPYZYNHFLK-SNVBAGLBSA-N 1 0 264.304 1.804 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125057840 745562423 /nfs/dbraw/zinc/56/24/23/745562423.db2.gz VOWPFWTXHLMDJH-CYBMUJFWSA-N 1 0 293.386 1.850 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2cccc(OC)c2O)C1=O ZINC000722358666 745631274 /nfs/dbraw/zinc/63/12/74/745631274.db2.gz CYMNHQKIHSKOCN-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000876949198 745666327 /nfs/dbraw/zinc/66/63/27/745666327.db2.gz OMUOTWBZFGNCIW-CYBMUJFWSA-N 1 0 293.411 1.588 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)CCCC[NH3+])cc1 ZINC000070202401 745684359 /nfs/dbraw/zinc/68/43/59/745684359.db2.gz UGZXVEXSMZSUHZ-UHFFFAOYSA-N 1 0 263.385 1.840 20 10 CDCDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2O)C1 ZINC000179587506 745773014 /nfs/dbraw/zinc/77/30/14/745773014.db2.gz FGNRIJCXRJWWBU-CYBMUJFWSA-N 1 0 262.353 1.692 20 10 CDCDRO Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000876686947 745803819 /nfs/dbraw/zinc/80/38/19/745803819.db2.gz CDAGDVGROJKUER-JKSUJKDBSA-N 1 0 290.407 1.732 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(c3nccn3C)CC2)c(O)c1 ZINC000877642546 745814950 /nfs/dbraw/zinc/81/49/50/745814950.db2.gz ZZIBGNXGTPMPEX-UHFFFAOYSA-N 1 0 286.379 1.756 20 10 CDCDRO CCOc1ccc(CN2C[C@H](C)[NH2+]C[C@H]2C)c(O)c1 ZINC000843119939 745829724 /nfs/dbraw/zinc/82/97/24/745829724.db2.gz PIWLZBFBCCSSBN-NWDGAFQWSA-N 1 0 264.369 1.973 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936008 745834158 /nfs/dbraw/zinc/83/41/58/745834158.db2.gz FSLVDBBEAGJENC-OAHLLOKOSA-N 1 0 266.385 1.548 20 10 CDCDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000313828008 745838641 /nfs/dbraw/zinc/83/86/41/745838641.db2.gz CLVKDNAXAHXKMK-QGZVFWFLSA-N 1 0 290.407 1.774 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cnnn1C ZINC000840978025 745857866 /nfs/dbraw/zinc/85/78/66/745857866.db2.gz ZGTQPZRMZMPGEU-ZDUSSCGKSA-N 1 0 287.411 1.910 20 10 CDCDRO CC[C@H]([NH2+]CCN1CCNC1=O)c1ccc(N(C)C)cc1 ZINC000886743050 745862923 /nfs/dbraw/zinc/86/29/23/745862923.db2.gz RUZCHGBXOGBQHH-HNNXBMFYSA-N 1 0 290.411 1.819 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cnc(N)s2)cc1 ZINC000843126698 745873447 /nfs/dbraw/zinc/87/34/47/745873447.db2.gz UNXMJYVYODGNOI-ZDUSSCGKSA-N 1 0 291.424 1.581 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)[C@H](C)CCO)cc1OC ZINC000846109088 745874928 /nfs/dbraw/zinc/87/49/28/745874928.db2.gz CUDIUAXGLMNZGF-SNVBAGLBSA-N 1 0 269.341 1.612 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858108331 745878487 /nfs/dbraw/zinc/87/84/87/745878487.db2.gz CCKGVROVXMHDDQ-UHFFFAOYSA-N 1 0 271.311 1.257 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000840975452 745939473 /nfs/dbraw/zinc/93/94/73/745939473.db2.gz NVQYXOJZFMZIDH-RDJZCZTQSA-N 1 0 292.423 1.708 20 10 CDCDRO C[NH2+]C[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000219686540 745956069 /nfs/dbraw/zinc/95/60/69/745956069.db2.gz WECANQKZFMOLBG-LLVKDONJSA-N 1 0 252.333 1.963 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000233820993 746043360 /nfs/dbraw/zinc/04/33/60/746043360.db2.gz AUHODKOGXJDEPF-OAHLLOKOSA-N 1 0 278.352 1.488 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])ccc21 ZINC000827913868 746074562 /nfs/dbraw/zinc/07/45/62/746074562.db2.gz QMLLYEJJQVJIHW-OLZOCXBDSA-N 1 0 259.353 1.032 20 10 CDCDRO Nc1ccc(OCc2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000864631246 746078406 /nfs/dbraw/zinc/07/84/06/746078406.db2.gz WLXMGKPNPUAYSC-UHFFFAOYSA-N 1 0 273.340 1.364 20 10 CDCDRO Cc1ccc(C[NH2+]CC(=O)NCC(F)(F)F)c(O)c1 ZINC000876992753 746169086 /nfs/dbraw/zinc/16/90/86/746169086.db2.gz JWANUPHBOYSLEO-UHFFFAOYSA-N 1 0 276.258 1.469 20 10 CDCDRO COc1ccc(CNC(=O)NCC2CC[NH2+]CC2)c(O)c1 ZINC000841924009 746189950 /nfs/dbraw/zinc/18/99/50/746189950.db2.gz KTWIBUJFGUISGW-UHFFFAOYSA-N 1 0 293.367 1.200 20 10 CDCDRO CCOc1cccc(C[NH2+]CCn2cccn2)c1O ZINC000049074535 746191904 /nfs/dbraw/zinc/19/19/04/746191904.db2.gz WYURKQJTGMBQAL-UHFFFAOYSA-N 1 0 261.325 1.777 20 10 CDCDRO CC(C)[C@H]([NH3+])CNCc1ccc(N2CCOCC2)cc1 ZINC000841029927 746208332 /nfs/dbraw/zinc/20/83/32/746208332.db2.gz OYEUJFUADWZJBY-MRXNPFEDSA-N 1 0 277.412 1.596 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(O)c1 ZINC000843051094 746305181 /nfs/dbraw/zinc/30/51/81/746305181.db2.gz DZPPKIPGOVQIJL-FZMZJTMJSA-N 1 0 264.369 1.960 20 10 CDCDRO CNC(=O)CN1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876928269 746314043 /nfs/dbraw/zinc/31/40/43/746314043.db2.gz YSKANFDGIYZXSY-UHFFFAOYSA-N 1 0 291.395 1.001 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2c(C)cccc2O)CC1=O ZINC000877613959 746339275 /nfs/dbraw/zinc/33/92/75/746339275.db2.gz STZUYWKQLQQCFE-GFCCVEGCSA-N 1 0 262.353 1.659 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000830102164 746437008 /nfs/dbraw/zinc/43/70/08/746437008.db2.gz FOGLLQZQSMLDKL-ZIAGYGMSSA-N 1 0 250.342 1.256 20 10 CDCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)C3)cc2)CC1 ZINC000876528202 746760818 /nfs/dbraw/zinc/76/08/18/746760818.db2.gz SHAYAIHTHSQCQZ-KRWDZBQOSA-N 1 0 290.407 1.604 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000710100595 746797823 /nfs/dbraw/zinc/79/78/23/746797823.db2.gz AZLQOIJALPODSX-CQSZACIVSA-N 1 0 275.396 1.709 20 10 CDCDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)CC[C@@H]21 ZINC000881440079 746818214 /nfs/dbraw/zinc/81/82/14/746818214.db2.gz SFGJXRWPVAQZAJ-ONGXEEELSA-N 1 0 294.326 1.403 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(O)c1O ZINC000179488097 746818619 /nfs/dbraw/zinc/81/86/19/746818619.db2.gz CNBVMCDSXPKZJW-NSHDSACASA-N 1 0 278.352 1.478 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000825973753 746820328 /nfs/dbraw/zinc/82/03/28/746820328.db2.gz PIHSQZJJCZNWNC-AWEZNQCLSA-N 1 0 265.332 1.070 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c1O ZINC000846142385 746835550 /nfs/dbraw/zinc/83/55/50/746835550.db2.gz SHGXLWSKEQJZDX-YPMHNXCESA-N 1 0 295.379 1.839 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@]2(C)CCCOC2)ccc1[N+](=O)[O-] ZINC000775051655 746851611 /nfs/dbraw/zinc/85/16/11/746851611.db2.gz OXXODHJAHLEUBV-AWEZNQCLSA-N 1 0 296.323 1.968 20 10 CDCDRO COc1cc(Cl)cc(CNC[C@H]([NH3+])C2CC2)c1O ZINC000841048613 746857273 /nfs/dbraw/zinc/85/72/73/746857273.db2.gz FROAALFGLQZRCV-NSHDSACASA-N 1 0 270.760 1.881 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105428 746898020 /nfs/dbraw/zinc/89/80/20/746898020.db2.gz MPTVRRLFWWSBAD-CQSZACIVSA-N 1 0 250.317 1.859 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877544389 746998801 /nfs/dbraw/zinc/99/88/01/746998801.db2.gz PCDTTYDUNPRKNY-AWEZNQCLSA-N 1 0 265.353 1.938 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870881766 747002643 /nfs/dbraw/zinc/00/26/43/747002643.db2.gz KZHVMNIZNPDCKO-LLVKDONJSA-N 1 0 292.379 1.968 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CCOC[C@H]2C)c1O ZINC000848898963 747028522 /nfs/dbraw/zinc/02/85/22/747028522.db2.gz BEBSJAORMLITGL-CYBMUJFWSA-N 1 0 278.396 1.765 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNCC(F)(F)CN)cc2)CC1 ZINC000841060313 747081397 /nfs/dbraw/zinc/08/13/97/747081397.db2.gz UMHQUCHFBXZUAY-UHFFFAOYSA-N 1 0 298.381 1.122 20 10 CDCDRO CC(C)CN(CC[NH+](C)C)C(=O)Cc1ccc(N)cc1 ZINC000037825159 747135753 /nfs/dbraw/zinc/13/57/53/747135753.db2.gz NJYDNYFJMXNWLE-UHFFFAOYSA-N 1 0 277.412 1.858 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000858582027 747190097 /nfs/dbraw/zinc/19/00/97/747190097.db2.gz LELOATDKSJEIFK-RYUDHWBXSA-N 1 0 279.384 1.812 20 10 CDCDRO COc1cccc(C[NH2+]Cc2ccc3c(c2)nnn3C)c1O ZINC000809740194 747293530 /nfs/dbraw/zinc/29/35/30/747293530.db2.gz OJTALYWECPWLQI-UHFFFAOYSA-N 1 0 298.346 1.972 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c(O)c1 ZINC000877129338 747376571 /nfs/dbraw/zinc/37/65/71/747376571.db2.gz BTZYTCAVBHGEHR-UKRRQHHQSA-N 1 0 292.379 1.426 20 10 CDCDRO CN(C)c1ccc([C@@H](CNC(=O)NC2CC2)[NH+](C)C)cc1 ZINC000049504509 747453811 /nfs/dbraw/zinc/45/38/11/747453811.db2.gz AEZJKROUGNGCFO-OAHLLOKOSA-N 1 0 290.411 1.817 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]2(C)CO)cc1OC ZINC000789556577 747683292 /nfs/dbraw/zinc/68/32/92/747683292.db2.gz CTUOMDFXIIIPCI-HNNXBMFYSA-N 1 0 281.352 1.756 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(OC)CCOC2)c1 ZINC000123266188 747812881 /nfs/dbraw/zinc/81/28/81/747812881.db2.gz VVLOEUWJFYLDPG-ABAIWWIYSA-N 1 0 281.352 1.857 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000843488993 747830315 /nfs/dbraw/zinc/83/03/15/747830315.db2.gz AFLIQFPPDFGDRQ-NOZJJQNGSA-N 1 0 280.368 1.951 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1OC ZINC000817412325 747850118 /nfs/dbraw/zinc/85/01/18/747850118.db2.gz IUWLXOPJHSPGMB-VXGBXAGGSA-N 1 0 295.379 1.860 20 10 CDCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819078161 747857266 /nfs/dbraw/zinc/85/72/66/747857266.db2.gz SILLHNOPUALTNB-CQSZACIVSA-N 1 0 268.426 1.875 20 10 CDCDRO CCc1cccc(C[N@@H+](CC(N)=O)CC(C)C)c1O ZINC000709350687 747858800 /nfs/dbraw/zinc/85/88/00/747858800.db2.gz GPXNYQLHKFYNGD-UHFFFAOYSA-N 1 0 264.369 1.898 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(CCO)CC1 ZINC000840908965 747877663 /nfs/dbraw/zinc/87/76/63/747877663.db2.gz ZLZJWOKTWOTRDC-UHFFFAOYSA-N 1 0 277.412 1.171 20 10 CDCDRO C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886525005 747899036 /nfs/dbraw/zinc/89/90/36/747899036.db2.gz VOMAWVBXFMFOGA-STQMWFEESA-N 1 0 295.402 1.818 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN(C)Cc1cn(C)nn1 ZINC000827305471 747910697 /nfs/dbraw/zinc/91/06/97/747910697.db2.gz SIVXXVBMIJKFOD-UHFFFAOYSA-N 1 0 273.384 1.822 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)C1CC([NH3+])C1 ZINC000841823649 748004487 /nfs/dbraw/zinc/00/44/87/748004487.db2.gz FSXYQTLESCQIMG-UHFFFAOYSA-N 1 0 290.411 1.692 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000388089433 748011914 /nfs/dbraw/zinc/01/19/14/748011914.db2.gz CRWJOQMZBQSRKT-SDBXPKJASA-N 1 0 267.300 1.547 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000064411398 748099742 /nfs/dbraw/zinc/09/97/42/748099742.db2.gz SWWBPFMACUKHFK-UHFFFAOYSA-N 1 0 264.369 1.962 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ncc[nH]3)cc2)CC1 ZINC000881853131 748199675 /nfs/dbraw/zinc/19/96/75/748199675.db2.gz KEZYTDFUWVWIDQ-UHFFFAOYSA-N 1 0 299.378 1.092 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1Cl ZINC000826123030 748311493 /nfs/dbraw/zinc/31/14/93/748311493.db2.gz CQEHHTFZHVFDHN-WCQYABFASA-N 1 0 285.771 1.529 20 10 CDCDRO C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000841880712 748336009 /nfs/dbraw/zinc/33/60/09/748336009.db2.gz GRNUHUKBJJRGBT-CHWSQXEVSA-N 1 0 290.411 1.817 20 10 CDCDRO CN(C)c1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188038018 748435906 /nfs/dbraw/zinc/43/59/06/748435906.db2.gz LVZPWQFTOVAGDF-UHFFFAOYSA-N 1 0 273.336 1.734 20 10 CDCDRO CC[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020195933 748524528 /nfs/dbraw/zinc/52/45/28/748524528.db2.gz SPIUKYXPJBYQCS-CQSZACIVSA-N 1 0 264.369 1.384 20 10 CDCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000227974272 748573914 /nfs/dbraw/zinc/57/39/14/748573914.db2.gz PTCWAVSJWPDFJW-RNCFNFMXSA-N 1 0 271.744 1.675 20 10 CDCDRO C[NH2+]CCCC(=O)NCc1ccc(N(C)C)cc1C ZINC000237180632 748659570 /nfs/dbraw/zinc/65/95/70/748659570.db2.gz VVSJZWKRTDEDOF-UHFFFAOYSA-N 1 0 263.385 1.677 20 10 CDCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834623946 748763418 /nfs/dbraw/zinc/76/34/18/748763418.db2.gz CLLFXOJVKDAADT-ZYHUDNBSSA-N 1 0 283.393 1.792 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1O ZINC000846167851 748838610 /nfs/dbraw/zinc/83/86/10/748838610.db2.gz FSDQRPUOXKTPQW-VHSXEESVSA-N 1 0 264.325 1.188 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876727707 748882541 /nfs/dbraw/zinc/88/25/41/748882541.db2.gz AATHYUVCYPUOCC-GFCCVEGCSA-N 1 0 262.353 1.659 20 10 CDCDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccccc1O ZINC000821056453 748892396 /nfs/dbraw/zinc/89/23/96/748892396.db2.gz ZKJNUMWFKHLTAN-UHFFFAOYSA-N 1 0 292.379 1.367 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840950509 748909755 /nfs/dbraw/zinc/90/97/55/748909755.db2.gz LFLUAFQMPZCOPP-AWEZNQCLSA-N 1 0 275.396 1.771 20 10 CDCDRO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccccc1O ZINC000157947199 749066189 /nfs/dbraw/zinc/06/61/89/749066189.db2.gz BDLMDFQUYMVJAU-LJRHVDQYSA-N 1 0 253.367 1.954 20 10 CDCDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000858766596 749089667 /nfs/dbraw/zinc/08/96/67/749089667.db2.gz PIQGRTZGWRVPAC-ZDUSSCGKSA-N 1 0 291.395 1.923 20 10 CDCDRO OCCOC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779031106 749106898 /nfs/dbraw/zinc/10/68/98/749106898.db2.gz CCTYBGZCMTVZMS-UHFFFAOYSA-N 1 0 269.316 1.505 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH2+]C ZINC000848397693 749220143 /nfs/dbraw/zinc/22/01/43/749220143.db2.gz JNBROGQPJFUQET-NSHDSACASA-N 1 0 250.342 1.739 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H](C)OC)CC2)c(OC)c1 ZINC000877708846 749236425 /nfs/dbraw/zinc/23/64/25/749236425.db2.gz XRFQEVSCFJQLIY-ZDUSSCGKSA-N 1 0 294.395 1.861 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCOC1 ZINC000922086491 749302991 /nfs/dbraw/zinc/30/29/91/749302991.db2.gz MBRGLJSDGFVSTF-HZPDHXFCSA-N 1 0 291.391 1.746 20 10 CDCDRO CC[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000112119314 749304777 /nfs/dbraw/zinc/30/47/77/749304777.db2.gz SZZUPTVQGHHHED-UHFFFAOYSA-N 1 0 289.423 1.661 20 10 CDCDRO C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccc(O)c(O)c2)CC[N@H+]1C ZINC000779547139 749307413 /nfs/dbraw/zinc/30/74/13/749307413.db2.gz IYJUXJQJLIKIPR-OXTPZFROSA-N 1 0 290.363 1.662 20 10 CDCDRO [O-]c1c(CN2CC[N@@H+]3CCC[C@H]3C2)ccc(F)c1F ZINC000703447900 749317686 /nfs/dbraw/zinc/31/76/86/749317686.db2.gz NPLNDQUVNMNLII-NSHDSACASA-N 1 0 268.307 1.950 20 10 CDCDRO CCSC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001173283961 912412882 /nfs/dbraw/zinc/41/28/82/912412882.db2.gz AXNYOTGMWNYEAI-TVQRCGJNSA-N 1 0 271.382 1.862 20 10 CDCDRO CC1(CO)CN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660500 897573231 /nfs/dbraw/zinc/57/32/31/897573231.db2.gz UGEOSUGPAMNMEP-UHFFFAOYSA-N 1 0 294.370 1.477 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c1O ZINC001140742201 898157047 /nfs/dbraw/zinc/15/70/47/898157047.db2.gz JVRWEGUXJBNKTO-MFKMUULPSA-N 1 0 265.353 1.999 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001140948210 898959835 /nfs/dbraw/zinc/95/98/35/898959835.db2.gz YHXBFUCTPUQVFV-HUUCEWRRSA-N 1 0 265.353 1.266 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001236020904 914545955 /nfs/dbraw/zinc/54/59/55/914545955.db2.gz ABVCHWOOQKAJAK-BXKDBHETSA-N 1 0 288.269 1.824 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001168063989 906431197 /nfs/dbraw/zinc/43/11/97/906431197.db2.gz GMFVNYYYLJZBIZ-PUYPPJJSSA-N 1 0 267.325 1.288 20 10 CDCDRO CN1[C@H]2COC[C@@H]1CC([N@H+](C)Cc1ccccc1O)C2 ZINC001172137807 911240499 /nfs/dbraw/zinc/24/04/99/911240499.db2.gz BRMXRSVCXCKLTE-GOOCMWNKSA-N 1 0 276.380 1.686 20 10 CDCDRO O=C1CC[C@@H]2C[C@H]([NH2+]Cc3ccccc3O)CCN12 ZINC001172146661 911356609 /nfs/dbraw/zinc/35/66/09/911356609.db2.gz MNUAXMICKGGYTQ-CHWSQXEVSA-N 1 0 260.337 1.635 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1F ZINC001206163294 911542465 /nfs/dbraw/zinc/54/24/65/911542465.db2.gz BKYJJIYBQUHALP-CMPLNLGQSA-N 1 0 256.296 1.793 20 10 CDCDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001172915233 912054454 /nfs/dbraw/zinc/05/44/54/912054454.db2.gz PHYAARISVWLGQV-ZOWXZIJZSA-N 1 0 281.352 1.678 20 10 CDCDRO Cc1c(CN2C[C@@H](F)C[C@H]2C(N)=O)c2ccccc2n1C ZINC001138256860 936503418 /nfs/dbraw/zinc/50/34/18/936503418.db2.gz NKTRPICUBCQYND-NHYWBVRUSA-N 1 0 289.354 1.884 20 10 CDCDRO C[NH+]1CCN(C2CN(Cc3c(O)cccc3Cl)C2)CC1 ZINC001140342570 936703925 /nfs/dbraw/zinc/70/39/25/936703925.db2.gz PMXHWQOMIHVLNJ-UHFFFAOYSA-N 1 0 295.814 1.477 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140741832 936748021 /nfs/dbraw/zinc/74/80/21/936748021.db2.gz DHYGJMOZZFLREX-GFCCVEGCSA-N 1 0 279.336 1.791 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+](C)C2CCS(=O)(=O)CC2)c1O ZINC001140749061 936749388 /nfs/dbraw/zinc/74/93/88/936749388.db2.gz PWMWKDCJMOWFKX-UHFFFAOYSA-N 1 0 299.392 1.415 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140749241 936749415 /nfs/dbraw/zinc/74/94/15/936749415.db2.gz SNQVPZAJPLPEFF-UHFFFAOYSA-N 1 0 267.325 1.791 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c1O ZINC001140749473 936749487 /nfs/dbraw/zinc/74/94/87/936749487.db2.gz BGNRGXYVPHTLCF-UHFFFAOYSA-N 1 0 290.363 1.651 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1O ZINC001140749011 936749552 /nfs/dbraw/zinc/74/95/52/936749552.db2.gz OCOAOSYLZSFQHD-PHIMTYICSA-N 1 0 264.369 1.931 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140751438 936750123 /nfs/dbraw/zinc/75/01/23/936750123.db2.gz WMXCFYMIAZZWPF-SCDSUCTJSA-N 1 0 291.347 1.932 20 10 CDCDRO CCOc1cccc(C[NH2+]CCN(C)C(=O)OC)c1O ZINC000689527132 936761997 /nfs/dbraw/zinc/76/19/97/936761997.db2.gz RNOXGFSVLCYRHN-UHFFFAOYSA-N 1 0 282.340 1.579 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001140921381 936776237 /nfs/dbraw/zinc/77/62/37/936776237.db2.gz BHKPCHCGFODISI-SMDDNHRTSA-N 1 0 284.787 1.191 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1 ZINC001140951068 936783286 /nfs/dbraw/zinc/78/32/86/936783286.db2.gz XANVDOVXOMQVFL-OAHLLOKOSA-N 1 0 276.336 1.775 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(OC)c1 ZINC001141032322 936795661 /nfs/dbraw/zinc/79/56/61/936795661.db2.gz YETNFTQTFGJUER-GASCZTMLSA-N 1 0 297.351 1.255 20 10 CDCDRO O=C1CCN(Cc2cc(O)ccc2O)CC[C@@H]1F ZINC001141156612 936821517 /nfs/dbraw/zinc/82/15/17/936821517.db2.gz ONJXDRNZLCHGTH-NSHDSACASA-N 1 0 253.273 1.601 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141158726 936822480 /nfs/dbraw/zinc/82/24/80/936822480.db2.gz LCXXOOALQVWDGC-LBPRGKRZSA-N 1 0 250.342 1.624 20 10 CDCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(O)ccc2O)C1 ZINC001141162339 936822998 /nfs/dbraw/zinc/82/29/98/936822998.db2.gz QCLUWPIYNPHMSW-CYBMUJFWSA-N 1 0 278.352 1.541 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1cc(O)ccc1O ZINC001141161465 936823100 /nfs/dbraw/zinc/82/31/00/936823100.db2.gz RUNVOEDKENCNHD-UHFFFAOYSA-N 1 0 252.314 1.008 20 10 CDCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273379414 926547914 /nfs/dbraw/zinc/54/79/14/926547914.db2.gz WDZQMZXBEFHJLY-OAHLLOKOSA-N 1 0 296.317 1.867 20 10 CDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(O)c(O)c2)CC[N@@H+]1C ZINC000843831145 927234974 /nfs/dbraw/zinc/23/49/74/927234974.db2.gz NAXPOZROIJTVFK-MWLCHTKSSA-N 1 0 264.325 1.054 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN(C(C)=O)C1 ZINC001169559661 928175734 /nfs/dbraw/zinc/17/57/34/928175734.db2.gz IIEZKOCDRHKCSA-AWEZNQCLSA-N 1 0 262.353 1.835 20 10 CDCDRO CC[C@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858086132 928799735 /nfs/dbraw/zinc/79/97/35/928799735.db2.gz BBVFYSQYXDRHNG-SNVBAGLBSA-N 1 0 258.312 1.891 20 10 CDCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)S(C)(=O)=O ZINC000697590633 937283940 /nfs/dbraw/zinc/28/39/40/937283940.db2.gz YSXWIPXAOJEZHI-GFCCVEGCSA-N 1 0 296.436 1.592 20 10 CDCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)cccc1Cl ZINC001275217148 931702496 /nfs/dbraw/zinc/70/24/96/931702496.db2.gz HXWSAXSQGVCGLC-PHIMTYICSA-N 1 0 282.771 1.560 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)c(O)c1 ZINC001144509084 931874599 /nfs/dbraw/zinc/87/45/99/931874599.db2.gz KMBZFLBQDYGCHI-UHFFFAOYSA-N 1 0 279.336 1.806 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(O)c1 ZINC001144514751 931876927 /nfs/dbraw/zinc/87/69/27/931876927.db2.gz QXRNENHEOCPKOR-FHYCKABGSA-N 1 0 277.320 1.413 20 10 CDCDRO [NH3+][C@@H](CC1CCC1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160871960 932206991 /nfs/dbraw/zinc/20/69/91/932206991.db2.gz CKHVRIYSXNESSR-AWEZNQCLSA-N 1 0 274.364 1.794 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC001148225063 932673855 /nfs/dbraw/zinc/67/38/55/932673855.db2.gz CUYGALHDZJLCNT-DGCLKSJQSA-N 1 0 292.379 1.946 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)C(=O)OC(C)(C)C)c1ccccc1O ZINC001253704790 935853903 /nfs/dbraw/zinc/85/39/03/935853903.db2.gz VILRGGQMIQAYGU-GXFFZTMASA-N 1 0 281.352 1.745 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccon2)cc1C ZINC001124200381 936295727 /nfs/dbraw/zinc/29/57/27/936295727.db2.gz JWMVJORFIMLSSU-UHFFFAOYSA-N 1 0 289.335 1.511 20 10 CDCDRO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)C[NH3+] ZINC001157431960 938491653 /nfs/dbraw/zinc/49/16/53/938491653.db2.gz CCHWXBBQWQZNFU-SMDDNHRTSA-N 1 0 291.395 1.035 20 10 CDCDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001160872330 938835232 /nfs/dbraw/zinc/83/52/32/938835232.db2.gz JVBLZDQQRACASQ-AAEUAGOBSA-N 1 0 274.364 1.665 20 10 CDCDRO COC(=O)c1c(F)c(N2CC[C@H]([NH3+])C2)ccc1OC ZINC001164287062 939447122 /nfs/dbraw/zinc/44/71/22/939447122.db2.gz AVOUDHJBNAGYEP-QMMMGPOBSA-N 1 0 268.288 1.158 20 10 CDCDRO CN1C(=O)CCC12CC[NH+](Cc1ccccc1O)CC2 ZINC001203561793 939693477 /nfs/dbraw/zinc/69/34/77/939693477.db2.gz ZMTPOJHCJVCYRW-UHFFFAOYSA-N 1 0 274.364 1.979 20 10 CDCDRO CCOc1cccc(C[NH+]2CC(C(=O)N(C)C)C2)c1O ZINC001203608938 939696170 /nfs/dbraw/zinc/69/61/70/939696170.db2.gz BMPQTRQFKQQLJO-UHFFFAOYSA-N 1 0 278.352 1.311 20 10 CDCDRO COc1ccc(C[NH+]2CC([C@@H](C)OC)C2)c(O)c1 ZINC001203634860 939698909 /nfs/dbraw/zinc/69/89/09/939698909.db2.gz YQDDVFTYHZJUHK-SNVBAGLBSA-N 1 0 251.326 1.868 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c1 ZINC001203669924 939700223 /nfs/dbraw/zinc/70/02/23/939700223.db2.gz ICYARDNDPHMWRZ-GFCCVEGCSA-N 1 0 283.368 1.355 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881998 939711315 /nfs/dbraw/zinc/71/13/15/939711315.db2.gz ZARKOEVBKMQGNR-NSHDSACASA-N 1 0 265.309 1.483 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCNC3=O)C2)cc1 ZINC001203931886 939714829 /nfs/dbraw/zinc/71/48/29/939714829.db2.gz XSJOQGXAWVOFEW-MRXNPFEDSA-N 1 0 273.380 1.465 20 10 CDCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204278183 939751155 /nfs/dbraw/zinc/75/11/55/939751155.db2.gz WVSKABPQOIBCHK-BXUZGUMPSA-N 1 0 262.353 1.624 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001204324461 939755720 /nfs/dbraw/zinc/75/57/20/939755720.db2.gz LNAXCEUCYREPBV-GDBMZVCRSA-N 1 0 276.380 1.072 20 10 CDCDRO COc1cc(CN2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc(O)c1O ZINC001204348862 939759399 /nfs/dbraw/zinc/75/93/99/939759399.db2.gz JYSTWCHEUMBDHD-STQMWFEESA-N 1 0 292.379 1.632 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2O)CCC[C@H]1C[NH3+] ZINC001206011415 939967154 /nfs/dbraw/zinc/96/71/54/939967154.db2.gz CDVSGSKMFHFLGI-AAEUAGOBSA-N 1 0 292.379 1.897 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H]([NH3+])C[C@H](F)C2)c1 ZINC001206404614 940033207 /nfs/dbraw/zinc/03/32/07/940033207.db2.gz MNNQNAIQXUYRIL-WDEREUQCSA-N 1 0 254.305 1.272 20 10 CDCDRO [NH3+][C@H]1CN[C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217722122 941010658 /nfs/dbraw/zinc/01/06/58/941010658.db2.gz UYLZSJJLNTXBCX-OCCSQVGLSA-N 1 0 295.346 1.889 20 10 CDCDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001218031109 941035912 /nfs/dbraw/zinc/03/59/12/941035912.db2.gz MTOBGTCTRDDSMS-LKFCYVNXSA-N 1 0 289.335 1.808 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001219642132 941368037 /nfs/dbraw/zinc/36/80/37/941368037.db2.gz PFPBIRWVQWAAFX-JZLDWQBISA-N 1 0 290.363 1.473 20 10 CDCDRO Oc1ccc(O)c(CN2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222250060 941578156 /nfs/dbraw/zinc/57/81/56/941578156.db2.gz ZLALCXNINDUTSJ-OAHLLOKOSA-N 1 0 262.353 1.816 20 10 CDCDRO Cc1cccc(C[NH+]2CC(N3CC[C@H](F)C3)C2)c1O ZINC001231593575 942938692 /nfs/dbraw/zinc/93/86/92/942938692.db2.gz KAPNJMBGCQSOMI-ZDUSSCGKSA-N 1 0 264.344 1.929 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2cc(OC)c(O)cc2O)CC1 ZINC001231635003 942952286 /nfs/dbraw/zinc/95/22/86/942952286.db2.gz TXASZRBUDHSIDM-UHFFFAOYSA-N 1 0 280.368 1.634 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231640129 942955559 /nfs/dbraw/zinc/95/55/59/942955559.db2.gz OVEBSRLADFEERH-HNNXBMFYSA-N 1 0 295.335 1.491 20 10 CDCDRO Cc1ccc(CN2CCc3n[nH]c(C(N)=O)c3C2)c(O)c1 ZINC001277567874 943019467 /nfs/dbraw/zinc/01/94/67/943019467.db2.gz IRKPJSFBUFWSIP-UHFFFAOYSA-N 1 0 286.335 1.081 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001231841389 943024109 /nfs/dbraw/zinc/02/41/09/943024109.db2.gz ARGCSHFYXHRTCW-DOMZBBRYSA-N 1 0 265.353 1.184 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001231843519 943027132 /nfs/dbraw/zinc/02/71/32/943027132.db2.gz ZWEJJBLEYBUFBB-HOTGVXAUSA-N 1 0 279.380 1.574 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CCC[N@H+](C)CC1 ZINC001231847986 943029127 /nfs/dbraw/zinc/02/91/27/943029127.db2.gz CXSYTGFUOCNMGF-UHFFFAOYSA-N 1 0 277.412 1.899 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC001232835197 943412453 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Oc1cc(O)c(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)cc1O ZINC001233486400 943594436 /nfs/dbraw/zinc/59/44/36/943594436.db2.gz LVSUMRRJKMRLEZ-LLVKDONJSA-N 1 0 297.326 1.896 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001234478383 943863382 /nfs/dbraw/zinc/86/33/82/943863382.db2.gz ZHDCPAWONRPBIO-SECBINFHSA-O 1 0 268.333 1.774 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001235676909 944242597 /nfs/dbraw/zinc/24/25/97/944242597.db2.gz WVVAGMNLUMFDLR-HIFRSBDPSA-N 1 0 293.407 1.865 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001236029652 944384911 /nfs/dbraw/zinc/38/49/11/944384911.db2.gz UKAVGPVFYVPPFN-YOEHRIQHSA-N 1 0 287.407 1.181 20 10 CDCDRO Oc1ccc(Cl)cc1CN(C1CC1)C1C[NH2+]C1 ZINC001236063096 944396883 /nfs/dbraw/zinc/39/68/83/944396883.db2.gz QPQCHRGKDWHSOQ-UHFFFAOYSA-N 1 0 252.745 1.982 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001236173919 944423126 /nfs/dbraw/zinc/42/31/26/944423126.db2.gz NMIAHSLPQLZARX-SNVBAGLBSA-N 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C[NH2+][C@@H](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC001328724744 955441151 /nfs/dbraw/zinc/44/11/51/955441151.db2.gz KLXNCKQPTCJHJZ-NSHDSACASA-N 1 0 264.373 1.109 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCN(CCO)[C@H](C)C2)c(O)c1 ZINC001308709228 956568016 /nfs/dbraw/zinc/56/80/16/956568016.db2.gz LJWUYDVYFNQFKP-CYBMUJFWSA-N 1 0 294.395 1.208 20 10 CDCDRO COc1ccc(C[NH2+]Cc2nc(CO)cs2)c(O)c1 ZINC001308716463 956568772 /nfs/dbraw/zinc/56/87/72/956568772.db2.gz PKRZHFNVQIIAEK-UHFFFAOYSA-N 1 0 280.349 1.639 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@@H](O)C2CC2)c(O)c1 ZINC001308743365 956571558 /nfs/dbraw/zinc/57/15/58/956571558.db2.gz VFDFJXSJGMLUIF-CQSZACIVSA-N 1 0 251.326 1.570 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(Cl)cc2O)CC1=O ZINC001308775845 956576793 /nfs/dbraw/zinc/57/67/93/956576793.db2.gz DRWKTRVCZYFDJG-NSHDSACASA-N 1 0 268.744 1.756 20 10 CDCDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774459 959349930 /nfs/dbraw/zinc/34/99/30/959349930.db2.gz ILBJJZCUUUYWQJ-GDBMZVCRSA-N 1 0 294.395 1.115 20 10 CDCDRO CCOC(=O)CC1([NH2+]Cc2ccc(N)cc2)CCOCC1 ZINC001335289269 959685632 /nfs/dbraw/zinc/68/56/32/959685632.db2.gz LQOWIMGDIBCDDL-UHFFFAOYSA-N 1 0 292.379 1.861 20 10 CDCDRO CCN(C(=O)NCc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001336289931 960290592 /nfs/dbraw/zinc/29/05/92/960290592.db2.gz DOKSXRRCWCIDQP-CYBMUJFWSA-N 1 0 262.357 1.162 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](O)C[NH3+])cc1 ZINC001340788729 963127897 /nfs/dbraw/zinc/12/78/97/963127897.db2.gz DVWGDLQRTZYDPS-OAHLLOKOSA-N 1 0 293.411 1.201 20 10 CDCDRO CC(C)C[NH2+]CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001346105142 964929514 /nfs/dbraw/zinc/92/95/14/964929514.db2.gz TYGUPWWFXRJQOE-UHFFFAOYSA-N 1 0 291.395 1.724 20 10 CDCDRO C[N@H+](CCNC(=O)NCc1ccc(N)cc1)C1CC1 ZINC001346633171 965191773 /nfs/dbraw/zinc/19/17/73/965191773.db2.gz LSCSBQKLJUWOIH-UHFFFAOYSA-N 1 0 262.357 1.162 20 10 CDCDRO Nc1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC001356083542 969330506 /nfs/dbraw/zinc/33/05/06/969330506.db2.gz RYYJLGWMBWYMRN-HNNXBMFYSA-N 1 0 264.369 1.944 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001357791965 969656619 /nfs/dbraw/zinc/65/66/19/969656619.db2.gz QVFPFGLLPRAULP-KGLIPLIRSA-N 1 0 274.368 1.305 20 10 CDCDRO COc1ccc(O)c(CNC(=O)CCCn2ccnc2)c1 ZINC000072294976 356757657 /nfs/dbraw/zinc/75/76/57/356757657.db2.gz YQZOMBAGJIUYBM-UHFFFAOYSA-N 1 0 289.335 1.694 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCCN1CCOCC1 ZINC000083509775 357102175 /nfs/dbraw/zinc/10/21/75/357102175.db2.gz PFYPEHRIUOCQHR-UHFFFAOYSA-N 1 0 268.332 1.343 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180229689 357253689 /nfs/dbraw/zinc/25/36/89/357253689.db2.gz QNLRJNMZPVQJSP-AWEZNQCLSA-N 1 0 267.300 1.916 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000185802662 357579043 /nfs/dbraw/zinc/57/90/43/357579043.db2.gz UKXKOQKHHKBLMQ-GHMZBOCLSA-N 1 0 278.352 1.700 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000187540316 357776751 /nfs/dbraw/zinc/77/67/51/357776751.db2.gz JADQRUZEDNFUHO-MRXNPFEDSA-N 1 0 293.363 1.782 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1O ZINC000190849362 358096034 /nfs/dbraw/zinc/09/60/34/358096034.db2.gz MQZMVPYTHRVGKO-SKDRFNHKSA-N 1 0 281.327 1.794 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cc1OC ZINC000191721539 358148560 /nfs/dbraw/zinc/14/85/60/358148560.db2.gz DZZRHBGCBLAWDK-PWSUYJOCSA-N 1 0 281.352 1.470 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)N(C)C)cc1C ZINC000191737024 358150288 /nfs/dbraw/zinc/15/02/88/358150288.db2.gz YFSSQMUDGXWWNZ-NSHDSACASA-N 1 0 250.342 1.575 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[NH2+]3)ccc21 ZINC000113807457 359427708 /nfs/dbraw/zinc/42/77/08/359427708.db2.gz QASWXKQCVVEOCQ-AWEZNQCLSA-N 1 0 273.380 1.437 20 10 CDCDRO COC(=O)CN(Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000267731871 363887101 /nfs/dbraw/zinc/88/71/01/363887101.db2.gz VVSZLMIUBJOHEO-UHFFFAOYSA-N 1 0 279.292 1.258 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H](O)COC)c1ccc(N(C)C)cc1 ZINC000268893248 364110582 /nfs/dbraw/zinc/11/05/82/364110582.db2.gz KDEIRAZHYGVFTL-HUUCEWRRSA-N 1 0 266.385 1.801 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[NH3+])cc1F ZINC000167742841 364946868 /nfs/dbraw/zinc/94/68/68/364946868.db2.gz AHMHBKJLAIIMTG-UHFFFAOYSA-N 1 0 253.321 1.247 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c1 ZINC000281202907 367604197 /nfs/dbraw/zinc/60/41/97/367604197.db2.gz TTXJRMPESPJDHE-INIZCTEOSA-N 1 0 292.379 1.749 20 10 CDCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282367952 367853056 /nfs/dbraw/zinc/85/30/56/367853056.db2.gz NTLPUNJJVZYBBW-HZMBPMFUSA-N 1 0 279.359 1.506 20 10 CDCDRO CC(C)[N@@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295112279 371132055 /nfs/dbraw/zinc/13/20/55/371132055.db2.gz LGXIXMMRGHKYNR-UHFFFAOYSA-N 1 0 296.342 1.793 20 10 CDCDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc2cc(O)c(O)cc2s1 ZINC001580744378 1172527095 /nfs/dbraw/zinc/52/70/95/1172527095.db2.gz VYBAELKSNHSHBQ-MRVPVSSYSA-N 1 0 278.333 1.404 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000121439012 390886337 /nfs/dbraw/zinc/88/63/37/390886337.db2.gz TXZAYYOUBAYUHG-MRXNPFEDSA-N 1 0 287.407 1.996 20 10 CDCDRO COC(=O)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271073833 391287447 /nfs/dbraw/zinc/28/74/47/391287447.db2.gz NCOOKBXWKLPDHB-UHFFFAOYSA-N 1 0 254.305 1.497 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000193696416 391344325 /nfs/dbraw/zinc/34/43/25/391344325.db2.gz ZUIVLWCACXULQK-QMTHXVAHSA-N 1 0 260.337 1.236 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCOCC1CC1)OCO2 ZINC000224530130 393122141 /nfs/dbraw/zinc/12/21/41/393122141.db2.gz AUYQWTDSFPRGIJ-UHFFFAOYSA-N 1 0 265.309 1.637 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1O ZINC000038060222 174070944 /nfs/dbraw/zinc/07/09/44/174070944.db2.gz VOUZJJOSIHZPBA-YPMHNXCESA-N 1 0 251.326 1.848 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCN(C)CC2)c1O ZINC000037322576 260159811 /nfs/dbraw/zinc/15/98/11/260159811.db2.gz LFMQWKDARROIRL-UHFFFAOYSA-N 1 0 266.316 1.481 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000090849199 260262520 /nfs/dbraw/zinc/26/25/20/260262520.db2.gz XHUVHNHPMJETER-IUODEOHRSA-N 1 0 264.369 1.555 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000126463756 260352159 /nfs/dbraw/zinc/35/21/59/260352159.db2.gz FDYZOYVICIEFNW-SNVBAGLBSA-N 1 0 264.325 1.264 20 10 CDCDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000155418032 261101808 /nfs/dbraw/zinc/10/18/08/261101808.db2.gz NASYNRVELQKRSA-ZYHUDNBSSA-N 1 0 279.336 1.856 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000185779846 262070471 /nfs/dbraw/zinc/07/04/71/262070471.db2.gz XWDUCUUMFQSBEG-AWEZNQCLSA-N 1 0 290.363 1.942 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000131014228 264365925 /nfs/dbraw/zinc/36/59/25/264365925.db2.gz PWGNOOFMSVJWMT-CYBMUJFWSA-N 1 0 279.409 1.023 20 10 CDCDRO C[C@@H]1COCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000370187554 267297018 /nfs/dbraw/zinc/29/70/18/267297018.db2.gz XNBMHOHONWEZOJ-HNNXBMFYSA-N 1 0 290.407 1.992 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000192124451 274236907 /nfs/dbraw/zinc/23/69/07/274236907.db2.gz DFQBCRJBBXOKLG-GHMZBOCLSA-N 1 0 277.368 1.461 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296584772 280836178 /nfs/dbraw/zinc/83/61/78/280836178.db2.gz UPXCAMUMQGCSLQ-VXGBXAGGSA-N 1 0 298.408 1.297 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COCCN2)c(O)c1 ZINC000530227345 328718425 /nfs/dbraw/zinc/71/84/25/328718425.db2.gz SJNCFQKQEUBDPI-OLZOCXBDSA-N 1 0 264.369 1.648 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC000378445775 329050625 /nfs/dbraw/zinc/05/06/25/329050625.db2.gz WKKQOCQUFCGCOG-GFCCVEGCSA-N 1 0 262.309 1.337 20 10 CDCDRO COc1ccc(N2CCCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000170762207 329068170 /nfs/dbraw/zinc/06/81/70/329068170.db2.gz XOBXJVCPUQQJFC-UHFFFAOYSA-N 1 0 291.395 1.296 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](CO)SC)c1 ZINC000224856914 329244911 /nfs/dbraw/zinc/24/49/11/329244911.db2.gz LPSUYZHFQSZJCF-ZANVPECISA-N 1 0 271.382 1.603 20 10 CDCDRO C[N@H+](CCC[NH3+])Cc1cccc(Br)c1[O-] ZINC000309394690 1159169215 /nfs/dbraw/zinc/16/92/15/1159169215.db2.gz GIOKCYHCCGRNBM-UHFFFAOYSA-N 1 0 273.174 1.935 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000219923294 333159334 /nfs/dbraw/zinc/15/93/34/333159334.db2.gz PYVVNMCYZYWACT-ONGXEEELSA-N 1 0 265.309 1.778 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000228056332 333293763 /nfs/dbraw/zinc/29/37/63/333293763.db2.gz GJMZUVSBLACKKG-YWPYICTPSA-N 1 0 265.353 1.891 20 10 CDCDRO C/C(=C\C=C\N)[NH2+]CCc1cc(O)c(O)cc1O ZINC001168005938 1160211278 /nfs/dbraw/zinc/21/12/78/1160211278.db2.gz PMANJTAQQFPANQ-SKRMJIETSA-N 1 0 250.298 1.312 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)COC)cc1 ZINC000281000300 520290163 /nfs/dbraw/zinc/29/01/63/520290163.db2.gz NODALVIACUYEJO-JSGCOSHPSA-N 1 0 266.385 1.801 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)C[C@@H](C)O)c(O)c1 ZINC000130803409 520344001 /nfs/dbraw/zinc/34/40/01/520344001.db2.gz QPYWTLAFSSUQOE-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000278575968 520366554 /nfs/dbraw/zinc/36/65/54/520366554.db2.gz FEAJQRIOXLPWMG-WBMJQRKESA-N 1 0 295.379 1.811 20 10 CDCDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc(N)cc1 ZINC000236935833 520501171 /nfs/dbraw/zinc/50/11/71/520501171.db2.gz ICSGUEJERHHFGT-OAHLLOKOSA-N 1 0 293.411 1.284 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000128154926 521851985 /nfs/dbraw/zinc/85/19/85/521851985.db2.gz DXVRWNXTVLOAMC-LLVKDONJSA-N 1 0 284.787 1.808 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H]1CCCO1 ZINC000278726645 522365562 /nfs/dbraw/zinc/36/55/62/522365562.db2.gz UAZWACWRSIFOQN-CHWSQXEVSA-N 1 0 281.352 1.684 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000290301097 524010404 /nfs/dbraw/zinc/01/04/04/524010404.db2.gz YVRHBTBSAAWXIH-JKOKRWQUSA-N 1 0 251.326 1.765 20 10 CDCDRO C[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000163757645 524563834 /nfs/dbraw/zinc/56/38/34/524563834.db2.gz HBQDPSWNNYNRFB-SSDOTTSWSA-N 1 0 260.131 1.625 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/C[NH+](C)C ZINC000274904596 524892190 /nfs/dbraw/zinc/89/21/90/524892190.db2.gz HCRPLOSEHWJTSE-ZWNMCFTASA-N 1 0 278.352 1.263 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCNC(=O)C(C)C)c1 ZINC000071406404 525348901 /nfs/dbraw/zinc/34/89/01/525348901.db2.gz UDCSNIJFWIJXSQ-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000279398020 525918499 /nfs/dbraw/zinc/91/84/99/525918499.db2.gz KSYCKFMWWSTQPH-CYBMUJFWSA-N 1 0 294.395 1.553 20 10 CDCDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)c(O)c1O ZINC000275870209 526157248 /nfs/dbraw/zinc/15/72/48/526157248.db2.gz JUGSJCLDTAGRDW-UHFFFAOYSA-N 1 0 278.352 1.620 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCCOCC1 ZINC000289388372 526363701 /nfs/dbraw/zinc/36/37/01/526363701.db2.gz DMJKKXNAMPBQQI-UHFFFAOYSA-N 1 0 284.787 1.858 20 10 CDCDRO Cn1cccc1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000743060761 576625498 /nfs/dbraw/zinc/62/54/98/576625498.db2.gz AKWLNJOOECJJHD-UHFFFAOYSA-N 1 0 282.457 1.577 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769528731 575357194 /nfs/dbraw/zinc/35/71/94/575357194.db2.gz YQGSQZYDWSGMEL-HNNXBMFYSA-N 1 0 279.336 1.786 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000771933076 575638815 /nfs/dbraw/zinc/63/88/15/575638815.db2.gz BUWCPHPHZOGPCZ-GFCCVEGCSA-N 1 0 278.352 1.488 20 10 CDCDRO C[C@H]1[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCOC1(C)C ZINC000768461580 576286710 /nfs/dbraw/zinc/28/67/10/576286710.db2.gz DLQWQKNNZGTNQH-YGRLFVJLSA-N 1 0 293.363 1.817 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)[NH+](C)C ZINC000750614928 576997592 /nfs/dbraw/zinc/99/75/92/576997592.db2.gz MEGADVWJUUTLSH-LBPRGKRZSA-N 1 0 263.385 1.627 20 10 CDCDRO Oc1ccccc1C[NH2+]CCCNc1ncccn1 ZINC000751507041 577046373 /nfs/dbraw/zinc/04/63/73/577046373.db2.gz QSKQQRWEFKSNJM-UHFFFAOYSA-N 1 0 258.325 1.774 20 10 CDCDRO COc1ccc(C[N@H+](CC(N)=O)C(C)C)c(O)c1OC ZINC000891486511 617438686 /nfs/dbraw/zinc/43/86/86/617438686.db2.gz LSBWCLHSEMZERL-UHFFFAOYSA-N 1 0 282.340 1.105 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1O ZINC000892076697 617465201 /nfs/dbraw/zinc/46/52/01/617465201.db2.gz CKRLPSBNGQPUHL-WZRBSPASSA-N 1 0 277.368 1.750 20 10 CDCDRO COc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c(O)c1OC ZINC000892077814 617467338 /nfs/dbraw/zinc/46/73/38/617467338.db2.gz ZBUOQSQCQONAOO-NSHDSACASA-N 1 0 281.352 1.878 20 10 CDCDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892093069 617474103 /nfs/dbraw/zinc/47/41/03/617474103.db2.gz MMJDBUMDURXAJK-GWCFXTLKSA-N 1 0 275.352 1.415 20 10 CDCDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892090331 617474903 /nfs/dbraw/zinc/47/49/03/617474903.db2.gz VNTIFDXFCLBYBU-NWDGAFQWSA-N 1 0 275.352 1.687 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000775985870 617594018 /nfs/dbraw/zinc/59/40/18/617594018.db2.gz PKPFTNUQWNXEDB-NEPJUHHUSA-N 1 0 264.369 1.925 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)O)c(O)c1OC ZINC000892951125 617966856 /nfs/dbraw/zinc/96/68/56/617966856.db2.gz MUEQQPXYMBKNLI-UHFFFAOYSA-N 1 0 255.314 1.270 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)CCO)c1O ZINC000894309402 618578669 /nfs/dbraw/zinc/57/86/69/618578669.db2.gz JTFZEGVJMCBVHZ-SNVBAGLBSA-N 1 0 253.342 1.817 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccnc2)cc1 ZINC000841043956 618678788 /nfs/dbraw/zinc/67/87/88/618678788.db2.gz RTFGAKWEGRTKSG-INIZCTEOSA-N 1 0 270.380 1.937 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@]2(C)CCOC2)c1O ZINC000894361573 618821252 /nfs/dbraw/zinc/82/12/52/618821252.db2.gz JVQINUBOBNLQJK-CQSZACIVSA-N 1 0 251.326 1.978 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c1O ZINC000894458676 618897446 /nfs/dbraw/zinc/89/74/46/618897446.db2.gz VTLKVBIKTLVCEA-JQWIXIFHSA-N 1 0 299.392 1.314 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CC1=O ZINC000894722907 619035090 /nfs/dbraw/zinc/03/50/90/619035090.db2.gz JHWKEOGHVTYTPM-NSHDSACASA-N 1 0 294.351 1.120 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000894939513 619156829 /nfs/dbraw/zinc/15/68/29/619156829.db2.gz IASLBTIEBSHHJD-CMPLNLGQSA-N 1 0 278.352 1.453 20 10 CDCDRO C[C@H](NC(=O)NCC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000841883280 619483337 /nfs/dbraw/zinc/48/33/37/619483337.db2.gz VEOPUQVLJMNREQ-NSHDSACASA-N 1 0 278.400 1.850 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1O ZINC000895316075 619546274 /nfs/dbraw/zinc/54/62/74/619546274.db2.gz HYOZNIYTSUJRAS-GFCCVEGCSA-N 1 0 264.325 1.015 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1Cl ZINC000895321668 619555268 /nfs/dbraw/zinc/55/52/68/619555268.db2.gz OSPMUCGPODINBK-GFCCVEGCSA-N 1 0 282.771 1.968 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c(O)c1OC ZINC000895458329 619675605 /nfs/dbraw/zinc/67/56/05/619675605.db2.gz XRBZUQSHFAUOLP-ZBEGNZNMSA-N 1 0 295.379 1.860 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1 ZINC000895746115 619821478 /nfs/dbraw/zinc/82/14/78/619821478.db2.gz BVZJCGYFPXSJPB-JSGCOSHPSA-N 1 0 281.352 1.420 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000895796217 619849388 /nfs/dbraw/zinc/84/93/88/619849388.db2.gz JMGMDIDHXQVIRN-PWSUYJOCSA-N 1 0 269.366 1.223 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000896383750 620080582 /nfs/dbraw/zinc/08/05/82/620080582.db2.gz DLQQVTJAQATGHY-LBPRGKRZSA-N 1 0 263.337 1.895 20 10 CDCDRO COC[C@@]1(CNCc2cc(F)ccc2O)CCC[NH2+]1 ZINC000841067286 621698272 /nfs/dbraw/zinc/69/82/72/621698272.db2.gz MWCSPUYLGFHQAX-AWEZNQCLSA-N 1 0 268.332 1.390 20 10 CDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(F)ccc1O ZINC000898545823 621787871 /nfs/dbraw/zinc/78/78/71/621787871.db2.gz NGBBLCKEWFGROJ-GFCCVEGCSA-N 1 0 266.316 1.632 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]Cc2cn(C)cn2)c1O ZINC000903352558 625976740 /nfs/dbraw/zinc/97/67/40/625976740.db2.gz VFDBLZOPLCPEQH-JTQLQIEISA-N 1 0 261.325 1.985 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420669 626294649 /nfs/dbraw/zinc/29/46/49/626294649.db2.gz DGBKAKAKGXWJSG-LSDHHAIUSA-N 1 0 259.397 1.794 20 10 CDCDRO CSCC[C@H]([NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000911660991 629381811 /nfs/dbraw/zinc/38/18/11/629381811.db2.gz QREHJSUGVAILDN-JTQLQIEISA-N 1 0 253.371 1.678 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[N@@H+]2C)c1 ZINC000925410300 631450292 /nfs/dbraw/zinc/45/02/92/631450292.db2.gz ZPLDNIOKEGCFBJ-WDEREUQCSA-N 1 0 293.367 1.465 20 10 CDCDRO CNc1ccccc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170281637 1162331782 /nfs/dbraw/zinc/33/17/82/1162331782.db2.gz GRQOVCYFFXJDBE-RBSFLKMASA-N 1 0 279.384 1.865 20 10 CDCDRO [NH3+]Cc1cccc(NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001170322666 1162336941 /nfs/dbraw/zinc/33/69/41/1162336941.db2.gz KXULWAKCQNEYSY-UHFFFAOYSA-N 1 0 273.292 1.246 20 10 CDCDRO Oc1cc2c(cc1O)C[N@H+](C[C@H]1CCOC1)CCC2 ZINC001202530768 1165175313 /nfs/dbraw/zinc/17/53/13/1165175313.db2.gz USCONORMAYUTFJ-LLVKDONJSA-N 1 0 263.337 1.883 20 10 CDCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[NH2+]1 ZINC001576789475 1171520751 /nfs/dbraw/zinc/52/07/51/1171520751.db2.gz CYMIFAKZCRRTKA-SECBINFHSA-N 1 0 275.312 1.283 20 10 CDCDRO COC(=O)c1ccc(C[NH2+]CCc2ccc(N)cc2)n1C ZINC001578867927 1172031402 /nfs/dbraw/zinc/03/14/02/1172031402.db2.gz SASPOQKZWYRSER-UHFFFAOYSA-N 1 0 287.363 1.726 20 10 CDCDRO Oc1ccccc1CNc1ncnc2c1ncn2C1C[NH2+]C1 ZINC001580888503 1172565319 /nfs/dbraw/zinc/56/53/19/1172565319.db2.gz NGVSOOVDCRLMCT-UHFFFAOYSA-N 1 0 296.334 1.288 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CN(C)C)c1O ZINC000133858471 1175809200 /nfs/dbraw/zinc/80/92/00/1175809200.db2.gz HCVNZAXFAJBDML-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000858577416 753181893 /nfs/dbraw/zinc/18/18/93/753181893.db2.gz BWNDYASCQSHKSA-QWRGUYRKSA-N 1 0 266.341 1.760 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877029141 751424545 /nfs/dbraw/zinc/42/45/45/751424545.db2.gz SYAMYDHMPHPWPQ-LLVKDONJSA-N 1 0 271.382 1.613 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CO1 ZINC000850406933 751476511 /nfs/dbraw/zinc/47/65/11/751476511.db2.gz ZLXLQPWSSBVSGD-DZGCQCFKSA-N 1 0 290.407 1.915 20 10 CDCDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953834 751490069 /nfs/dbraw/zinc/49/00/69/751490069.db2.gz UXNNIEQACDQQFJ-IUCAKERBSA-N 1 0 253.302 1.688 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)[C@@H]1CN(C)CCO1 ZINC000877099265 751831502 /nfs/dbraw/zinc/83/15/02/751831502.db2.gz DUXVZDYOIDJVLG-WFASDCNBSA-N 1 0 264.369 1.509 20 10 CDCDRO C[NH2+]CCCN(CCOC)c1ccc(OC)c(OC)c1 ZINC000843359551 751840887 /nfs/dbraw/zinc/84/08/87/751840887.db2.gz WCIOUIGNKGQZMF-UHFFFAOYSA-N 1 0 282.384 1.766 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@@H](C)N2CCSCC2)c1 ZINC000862757974 751852752 /nfs/dbraw/zinc/85/27/52/751852752.db2.gz KTAGXEAPBUJBDG-GFCCVEGCSA-N 1 0 294.420 1.754 20 10 CDCDRO CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(C)cc1O ZINC000794815294 751862583 /nfs/dbraw/zinc/86/25/83/751862583.db2.gz OMTOEMYNVMPVGE-GDBMZVCRSA-N 1 0 278.396 1.808 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CC(=O)NC)c1 ZINC000825067712 751893609 /nfs/dbraw/zinc/89/36/09/751893609.db2.gz DUHUDTGXISEFTP-JTQLQIEISA-N 1 0 266.341 1.405 20 10 CDCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000228067969 752013565 /nfs/dbraw/zinc/01/35/65/752013565.db2.gz PDOQTSNHYNCBNU-KGLIPLIRSA-N 1 0 278.396 1.772 20 10 CDCDRO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841656145 752052286 /nfs/dbraw/zinc/05/22/86/752052286.db2.gz WTURSAUSZRYWGI-ZDUSSCGKSA-N 1 0 276.384 1.256 20 10 CDCDRO C[C@@H](NC(=O)N(C)CCC[NH3+])c1ccc(N(C)C)cc1 ZINC000841881619 752069004 /nfs/dbraw/zinc/06/90/04/752069004.db2.gz AKZWCBLUTYRCBM-GFCCVEGCSA-N 1 0 278.400 1.804 20 10 CDCDRO CN(C)c1ccc(Cn2cc(CCCC[NH3+])nn2)cc1 ZINC000881272423 752161830 /nfs/dbraw/zinc/16/18/30/752161830.db2.gz UNXKLQYACXEDGF-UHFFFAOYSA-N 1 0 273.384 1.674 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCCOC3)cc2)CC1 ZINC000850565606 752179094 /nfs/dbraw/zinc/17/90/94/752179094.db2.gz GUUQPLOKVATYBJ-HNNXBMFYSA-N 1 0 290.407 1.916 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000883250185 752217653 /nfs/dbraw/zinc/21/76/53/752217653.db2.gz GLWTWNFBDZMXIU-GFCCVEGCSA-N 1 0 263.341 1.286 20 10 CDCDRO CCOC[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877655973 752233350 /nfs/dbraw/zinc/23/33/50/752233350.db2.gz RIPHWPMGHPYYRZ-CQSZACIVSA-N 1 0 265.353 1.938 20 10 CDCDRO CCOCCNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835756 749368904 /nfs/dbraw/zinc/36/89/04/749368904.db2.gz IZWAPHGIRRMMBJ-CYBMUJFWSA-N 1 0 293.411 1.556 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CNCCO1)c1cc(Cl)ccc1O ZINC000817982044 749471407 /nfs/dbraw/zinc/47/14/07/749471407.db2.gz BFZTVXBQWXZLJL-GXSJLCMTSA-N 1 0 270.760 1.685 20 10 CDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000825278220 749539237 /nfs/dbraw/zinc/53/92/37/749539237.db2.gz AIPSBZPQCAUJMR-OLZOCXBDSA-N 1 0 260.337 1.365 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861583454 749551381 /nfs/dbraw/zinc/55/13/81/749551381.db2.gz VEHFBMSNULIIPC-LBPRGKRZSA-N 1 0 278.400 1.550 20 10 CDCDRO CCN(C)c1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc1 ZINC000815120356 749630043 /nfs/dbraw/zinc/63/00/43/749630043.db2.gz HNMUENMAIQRNNL-ZSHCYNCHSA-N 1 0 288.391 1.994 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000704317250 749653038 /nfs/dbraw/zinc/65/30/38/749653038.db2.gz SYTUICDHDWIFBQ-CYBMUJFWSA-N 1 0 262.353 1.665 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCNC2=O)cc1 ZINC000886742681 749680183 /nfs/dbraw/zinc/68/01/83/749680183.db2.gz HFGSGDMJZWWOOC-ZDUSSCGKSA-N 1 0 290.411 1.819 20 10 CDCDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccccc1O ZINC000134592176 749762502 /nfs/dbraw/zinc/76/25/02/749762502.db2.gz VQDJUMQVUUWJAO-UHFFFAOYSA-N 1 0 250.342 1.787 20 10 CDCDRO C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccccc1O ZINC000870988800 749821464 /nfs/dbraw/zinc/82/14/64/749821464.db2.gz ZYRODALFBLXYGG-LLVKDONJSA-N 1 0 278.352 1.338 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCN2CCCC2=O)c1 ZINC000093320435 749841883 /nfs/dbraw/zinc/84/18/83/749841883.db2.gz VWYGNRGDFFDVCI-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000862210344 749849111 /nfs/dbraw/zinc/84/91/11/749849111.db2.gz IMMSAEXOINTDRH-JTQLQIEISA-N 1 0 297.349 1.728 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000825942878 749945979 /nfs/dbraw/zinc/94/59/79/749945979.db2.gz NLXOCWMLWBHQOK-NVXWUHKLSA-N 1 0 287.407 1.711 20 10 CDCDRO C[C@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)c2c1c(F)ccc2O ZINC000866421224 750006801 /nfs/dbraw/zinc/00/68/01/750006801.db2.gz XSULCXBUFYLBEX-ZFNBHVESSA-N 1 0 267.300 1.429 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000886251811 750074772 /nfs/dbraw/zinc/07/47/72/750074772.db2.gz LMLAFZFWJHMAJM-KFKUMKOWSA-N 1 0 286.322 1.005 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)c1O ZINC000827500648 750088108 /nfs/dbraw/zinc/08/81/08/750088108.db2.gz GMCFUPBGJNKMSK-TXEJJXNPSA-N 1 0 279.336 1.832 20 10 CDCDRO C[NH+](C)CCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000792042859 750098488 /nfs/dbraw/zinc/09/84/88/750098488.db2.gz ZWJSIBAQQSMHLW-FNORWQNLSA-N 1 0 265.309 1.606 20 10 CDCDRO C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000874252017 750202459 /nfs/dbraw/zinc/20/24/59/750202459.db2.gz UJUQLMRENZOEFK-GFCCVEGCSA-N 1 0 275.396 1.635 20 10 CDCDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@H]2CCCCN12 ZINC000835072301 750204053 /nfs/dbraw/zinc/20/40/53/750204053.db2.gz FLBZHHUHDFBIOY-HUUCEWRRSA-N 1 0 286.375 1.865 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCN1CCCC1 ZINC000020127044 750286088 /nfs/dbraw/zinc/28/60/88/750286088.db2.gz XRTGYKZVHKDXIT-UHFFFAOYSA-N 1 0 289.423 1.709 20 10 CDCDRO COCCOCCCC[NH2+]Cc1ccccc1O ZINC000134232120 750300045 /nfs/dbraw/zinc/30/00/45/750300045.db2.gz FOIUHAROUPHOKV-UHFFFAOYSA-N 1 0 253.342 1.925 20 10 CDCDRO C[N@H+](CC(=O)NC1CCOCC1)Cc1ccccc1O ZINC000111235754 750346855 /nfs/dbraw/zinc/34/68/55/750346855.db2.gz UNPVFUQBQJOSNC-UHFFFAOYSA-N 1 0 278.352 1.119 20 10 CDCDRO CC(C)(CC[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000817877897 750458931 /nfs/dbraw/zinc/45/89/31/750458931.db2.gz GVEFLBKYOGQRTJ-UHFFFAOYSA-N 1 0 264.373 1.238 20 10 CDCDRO C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000832267449 750544256 /nfs/dbraw/zinc/54/42/56/750544256.db2.gz SDMAHWIOOBWACZ-ABAIWWIYSA-N 1 0 275.396 1.915 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)C[NH3+])c1 ZINC000828667519 750633423 /nfs/dbraw/zinc/63/34/23/750633423.db2.gz RUIJAZGJDAJIBA-BDAKNGLRSA-N 1 0 252.314 1.173 20 10 CDCDRO CO[C@@]1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCOC1 ZINC000123188527 750666293 /nfs/dbraw/zinc/66/62/93/750666293.db2.gz GOKXDYXFVMDGFI-QMTHXVAHSA-N 1 0 269.316 1.987 20 10 CDCDRO C[C@@H](C[NH3+])N(C)Cc1cccc(Br)c1[O-] ZINC000381753359 750812812 /nfs/dbraw/zinc/81/28/12/750812812.db2.gz RPVNEFISKXMMFG-QMMMGPOBSA-N 1 0 273.174 1.934 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@H]1CC[NH2+]1 ZINC000829527682 750821167 /nfs/dbraw/zinc/82/11/67/750821167.db2.gz CDVRPRBYMPNASU-MRVPVSSYSA-N 1 0 257.384 1.103 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000842911133 750831358 /nfs/dbraw/zinc/83/13/58/750831358.db2.gz YAGWUWOGRSEZBI-KCPJHIHWSA-N 1 0 264.369 1.817 20 10 CDCDRO Cc1cc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)ccc1N(C)C ZINC000881377358 750833601 /nfs/dbraw/zinc/83/36/01/750833601.db2.gz KGJUVGCRVNXCHR-AWEZNQCLSA-N 1 0 299.422 1.853 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(F)F)cc2)CC1 ZINC000881851930 750835678 /nfs/dbraw/zinc/83/56/78/750835678.db2.gz DNKGZSAYBOQTIS-UHFFFAOYSA-N 1 0 283.322 1.320 20 10 CDCDRO CON(C)C(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877543858 750858182 /nfs/dbraw/zinc/85/81/82/750858182.db2.gz IKJZTRCBAMHMEN-UHFFFAOYSA-N 1 0 292.379 1.932 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@@H+]1C ZINC000779526099 750869533 /nfs/dbraw/zinc/86/95/33/750869533.db2.gz VJNJURWILGXEGA-CBHWHFHUSA-N 1 0 290.363 1.710 20 10 CDCDRO C[C@@H](NC(=O)C1([NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000166247125 750878606 /nfs/dbraw/zinc/87/86/06/750878606.db2.gz PCHMVSGKJASHII-GFCCVEGCSA-N 1 0 289.379 1.192 20 10 CDCDRO Nc1ccc(CCNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000832659134 750890295 /nfs/dbraw/zinc/89/02/95/750890295.db2.gz NUKXYZLIIATNQB-ZDUSSCGKSA-N 1 0 261.369 1.317 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c(O)c1 ZINC000877578423 750891399 /nfs/dbraw/zinc/89/13/99/750891399.db2.gz CJLFWYKJYPEBIS-ZIAGYGMSSA-N 1 0 274.364 1.944 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775645883 750891402 /nfs/dbraw/zinc/89/14/02/750891402.db2.gz SNFFZKOSLXUFMY-OAHLLOKOSA-N 1 0 289.423 1.659 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000848566923 750927226 /nfs/dbraw/zinc/92/72/26/750927226.db2.gz MFQNJGRAPWGLFE-JTQLQIEISA-N 1 0 288.351 1.176 20 10 CDCDRO COC[C@@]1(CN[C@H](C)c2cc(F)ccc2O)CCC[NH2+]1 ZINC000817974927 750996251 /nfs/dbraw/zinc/99/62/51/750996251.db2.gz OKKPUWCRXDYFPX-ABAIWWIYSA-N 1 0 282.359 1.951 20 10 CDCDRO O=C(C[NH2+]Cc1ccccc1O)NCc1ccccc1 ZINC000037908585 751007570 /nfs/dbraw/zinc/00/75/70/751007570.db2.gz HRYXPDGAVOGZBY-UHFFFAOYSA-N 1 0 270.332 1.798 20 10 CDCDRO C[NH+](C)CCN(C(=O)Cc1ccc(N)cc1)C1CC1 ZINC000832158980 751045048 /nfs/dbraw/zinc/04/50/48/751045048.db2.gz VIBTXQCCEDJADD-UHFFFAOYSA-N 1 0 261.369 1.364 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1O ZINC000846143733 751048223 /nfs/dbraw/zinc/04/82/23/751048223.db2.gz GKKKDPTZQCQVCE-QWHCGFSZSA-N 1 0 294.395 1.772 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000934936269 751110928 /nfs/dbraw/zinc/11/09/28/751110928.db2.gz QQARCTAKCHDIOB-CYBMUJFWSA-N 1 0 262.353 1.881 20 10 CDCDRO COc1ccc(O)c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000793586189 751171101 /nfs/dbraw/zinc/17/11/01/751171101.db2.gz GQEATZZQLWNLOZ-CHWSQXEVSA-N 1 0 294.395 1.288 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000062973471 751224293 /nfs/dbraw/zinc/22/42/93/751224293.db2.gz YGHCFBDLFGSCDB-INIZCTEOSA-N 1 0 287.407 1.898 20 10 CDCDRO COC[C@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000793324913 752371980 /nfs/dbraw/zinc/37/19/80/752371980.db2.gz OGGWSYLLROCBMU-AWEZNQCLSA-N 1 0 294.395 1.261 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC2CC[NH2+]CC2)cc1 ZINC000841916219 752402115 /nfs/dbraw/zinc/40/21/15/752402115.db2.gz PTEQEJVXAZDNRD-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO O=C(C[NH2+]Cc1cc(Cl)ccc1O)NC1CC1 ZINC000036782431 752640328 /nfs/dbraw/zinc/64/03/28/752640328.db2.gz GAEIUAKWLQVVCK-UHFFFAOYSA-N 1 0 254.717 1.414 20 10 CDCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2O)on1 ZINC000877494690 752786245 /nfs/dbraw/zinc/78/62/45/752786245.db2.gz ZDJAAOXCNMOONP-UHFFFAOYSA-N 1 0 292.291 1.465 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CNCCOC1 ZINC000925689858 752786692 /nfs/dbraw/zinc/78/66/92/752786692.db2.gz ITUVBGJBMZRQNY-HOCLYGCPSA-N 1 0 291.439 1.570 20 10 CDCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000842227176 752794479 /nfs/dbraw/zinc/79/44/79/752794479.db2.gz RSLGWBPRTIPZRR-DZGCQCFKSA-N 1 0 284.375 1.503 20 10 CDCDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179586446 752813217 /nfs/dbraw/zinc/81/32/17/752813217.db2.gz UFRHZZXVMWHFOL-AWEZNQCLSA-N 1 0 279.336 1.138 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000843056668 752842031 /nfs/dbraw/zinc/84/20/31/752842031.db2.gz UZAPJJGTDVSXGY-BBRMVZONSA-N 1 0 277.412 1.609 20 10 CDCDRO CNC(=[NH2+])NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849043699 752843016 /nfs/dbraw/zinc/84/30/16/752843016.db2.gz FWZWIGUTJINDFP-NSHDSACASA-N 1 0 262.357 1.265 20 10 CDCDRO C[C@@]1(O)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876790711 752900911 /nfs/dbraw/zinc/90/09/11/752900911.db2.gz CKBQGWOKYWFVPO-QGZVFWFLSA-N 1 0 290.407 1.604 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000389185847 752933351 /nfs/dbraw/zinc/93/33/51/752933351.db2.gz RYERLLFAMDLVOL-CQSZACIVSA-N 1 0 261.369 1.412 20 10 CDCDRO CN(C)c1ccc(CNS(=O)(=O)CCC[NH+](C)C)cc1 ZINC000866424734 752966680 /nfs/dbraw/zinc/96/66/80/752966680.db2.gz LERZQTBELXAUIP-UHFFFAOYSA-N 1 0 299.440 1.124 20 10 CDCDRO Cc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c(O)c1 ZINC000876784864 753021716 /nfs/dbraw/zinc/02/17/16/753021716.db2.gz MFOCPHOBAWIMAW-HNNXBMFYSA-N 1 0 290.407 1.855 20 10 CDCDRO Cc1nccn1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779511243 753030534 /nfs/dbraw/zinc/03/05/34/753030534.db2.gz RXCSNPQDLOZNTO-HYXAFXHYSA-N 1 0 287.319 1.432 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000840826793 753136545 /nfs/dbraw/zinc/13/65/45/753136545.db2.gz VXZNWLJLSFSXRG-LJUAHTATSA-N 1 0 255.289 1.596 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(CC)C2)c(O)c1 ZINC000846093738 753140583 /nfs/dbraw/zinc/14/05/83/753140583.db2.gz QKINTVHYIBFNEN-GFCCVEGCSA-N 1 0 292.379 1.749 20 10 CDCDRO CC[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876526990 753141178 /nfs/dbraw/zinc/14/11/78/753141178.db2.gz NFYZLIIGFHBEEQ-UHFFFAOYSA-N 1 0 278.396 1.462 20 10 CDCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468107 753216355 /nfs/dbraw/zinc/21/63/55/753216355.db2.gz YWGAZKSACHRSNX-GUYCJALGSA-N 1 0 290.407 1.603 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000839196919 753231821 /nfs/dbraw/zinc/23/18/21/753231821.db2.gz YKQTXKGGDCJQML-GFCCVEGCSA-N 1 0 278.352 1.407 20 10 CDCDRO CC[C@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819381210 753286400 /nfs/dbraw/zinc/28/64/00/753286400.db2.gz VSVPJUBIKMBJIG-ZFWWWQNUSA-N 1 0 278.396 1.882 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC3(C2)OCCO3)cc1C ZINC000093013167 753309619 /nfs/dbraw/zinc/30/96/19/753309619.db2.gz VEMYKEIURUBRIV-UHFFFAOYSA-N 1 0 263.337 1.958 20 10 CDCDRO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000821070832 753324910 /nfs/dbraw/zinc/32/49/10/753324910.db2.gz OCARDANOAWFKEQ-ZDUSSCGKSA-N 1 0 290.363 1.731 20 10 CDCDRO CCCN(Cc1cc2c(cc1O)OCO2)[C@H]1CC[NH2+]C1 ZINC000843052953 753340073 /nfs/dbraw/zinc/34/00/73/753340073.db2.gz QFJBUERZXILCSZ-LBPRGKRZSA-N 1 0 278.352 1.695 20 10 CDCDRO CCOc1ccc(O)c(CN(C)CC(C)(C)[NH3+])c1 ZINC000849350299 753388269 /nfs/dbraw/zinc/38/82/69/753388269.db2.gz NDLDLCYMPXGGQQ-UHFFFAOYSA-N 1 0 252.358 1.960 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)CO[C@@H]2CCOC2)c(O)c1 ZINC000877092867 753432168 /nfs/dbraw/zinc/43/21/68/753432168.db2.gz MEYLTAZDDVSXIK-TZMCWYRMSA-N 1 0 265.353 1.984 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC000818942352 753442220 /nfs/dbraw/zinc/44/22/20/753442220.db2.gz ZQKYSXKULVSEDS-OAHLLOKOSA-N 1 0 274.368 1.100 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@]2(CO)CCOC2)c1O ZINC000862427146 753495329 /nfs/dbraw/zinc/49/53/29/753495329.db2.gz UVFPVMGTPZYANG-HNNXBMFYSA-N 1 0 281.352 1.374 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000817412141 753500038 /nfs/dbraw/zinc/50/00/38/753500038.db2.gz DTOWEBICBNDVSZ-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000886672354 753520188 /nfs/dbraw/zinc/52/01/88/753520188.db2.gz MVMHAEMWTGFFPQ-XQQFMLRXSA-N 1 0 295.379 1.981 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c(O)c1 ZINC000818000980 753567197 /nfs/dbraw/zinc/56/71/97/753567197.db2.gz WUIYKGSWENWRDM-MFKMUULPSA-N 1 0 278.352 1.405 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000883300085 753617513 /nfs/dbraw/zinc/61/75/13/753617513.db2.gz NOAFWPISYCFEMI-NSHDSACASA-N 1 0 299.392 1.458 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])c(O)c1 ZINC000832178805 753641490 /nfs/dbraw/zinc/64/14/90/753641490.db2.gz XJZGPYNBXTZVPG-IUCAKERBSA-N 1 0 252.314 1.000 20 10 CDCDRO CCN(CC)c1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925479759 753675927 /nfs/dbraw/zinc/67/59/27/753675927.db2.gz JVSYFUBNEJMUHI-OAHLLOKOSA-N 1 0 277.412 1.611 20 10 CDCDRO CCNC(=O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000157932326 753679773 /nfs/dbraw/zinc/67/97/73/753679773.db2.gz PELSXDUUCJVTEK-UHFFFAOYSA-N 1 0 291.395 1.390 20 10 CDCDRO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1c([O-])cccc1F ZINC000886531005 753796074 /nfs/dbraw/zinc/79/60/74/753796074.db2.gz VAVJJMUGVFOLHD-NSHDSACASA-N 1 0 282.359 1.639 20 10 CDCDRO CC(C)[NH2+]CCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841933779 753828125 /nfs/dbraw/zinc/82/81/25/753828125.db2.gz INKNIFNXSQEOOY-UHFFFAOYSA-N 1 0 292.427 1.940 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@@]1(C)O ZINC001233010310 912670886 /nfs/dbraw/zinc/67/08/86/912670886.db2.gz OHDBTBJYVYTUKR-YMTOWFKASA-N 1 0 267.325 1.396 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001234474778 913679959 /nfs/dbraw/zinc/67/99/59/913679959.db2.gz WXNQEDHKSNRDKA-SNVBAGLBSA-N 1 0 265.309 1.773 20 10 CDCDRO CN1CCOc2cc(CN3CC[N@@H+]4CC[C@H]4C3)ccc21 ZINC001141145670 899787150 /nfs/dbraw/zinc/78/71/50/899787150.db2.gz GAOYSXLXUUETBF-AWEZNQCLSA-N 1 0 273.380 1.405 20 10 CDCDRO CCc1cccc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000690186625 914644154 /nfs/dbraw/zinc/64/41/54/914644154.db2.gz QSQDQGNBVGUWMS-ZDUSSCGKSA-N 1 0 262.353 1.617 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000840921575 906697765 /nfs/dbraw/zinc/69/77/65/906697765.db2.gz WWCMKHPJTAFWMU-XJKSGUPXSA-N 1 0 278.396 1.643 20 10 CDCDRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841710582 908055637 /nfs/dbraw/zinc/05/56/37/908055637.db2.gz ZEZFXCKJWMQIIN-CYBMUJFWSA-N 1 0 290.411 1.775 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC000093612238 908268748 /nfs/dbraw/zinc/26/87/48/908268748.db2.gz LMWYGVBGRSCZSY-GFCCVEGCSA-N 1 0 291.269 1.900 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(O)c(O)c2)CC[C@@H]1F ZINC001206152808 911051960 /nfs/dbraw/zinc/05/19/60/911051960.db2.gz AZPJQEICVYISHW-WDEREUQCSA-N 1 0 254.305 1.359 20 10 CDCDRO CCN1CC[C@H]([NH2+]Cc2ccc(O)cc2O)CC1=O ZINC001172025372 911133174 /nfs/dbraw/zinc/13/31/74/911133174.db2.gz FZRGFKTVDMEHJU-NSHDSACASA-N 1 0 264.325 1.198 20 10 CDCDRO N=c1cc(C[NH3+])ccn1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689633 915927320 /nfs/dbraw/zinc/92/73/20/915927320.db2.gz UZFNLJRIEBBMQE-PKCGZMNGSA-N 1 0 285.303 1.191 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC001179849323 916013378 /nfs/dbraw/zinc/01/33/78/916013378.db2.gz CUFNAGRQORFYEJ-LLVKDONJSA-N 1 0 278.352 1.407 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2CC([NH+](C)C)C2)cc1 ZINC001180122193 916168347 /nfs/dbraw/zinc/16/83/47/916168347.db2.gz KZVCYAGBWJCAOA-JXMROGBWSA-N 1 0 273.380 1.538 20 10 CDCDRO CCOC(=O)C1(F)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275009 916446291 /nfs/dbraw/zinc/44/62/91/916446291.db2.gz LGLYLTDMIJDUSL-UHFFFAOYSA-N 1 0 297.326 1.965 20 10 CDCDRO Cc1ccc(C)c(CN2C[C@H](F)C[C@H]([NH3+])C2)c1O ZINC001206425171 916533608 /nfs/dbraw/zinc/53/36/08/916533608.db2.gz UZXALHBURWAJPJ-NEPJUHHUSA-N 1 0 252.333 1.880 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204277268 916571898 /nfs/dbraw/zinc/57/18/98/916571898.db2.gz XNGPILVORGNMSX-UHFFFAOYSA-N 1 0 280.324 1.372 20 10 CDCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cccc(F)c1O ZINC001138129726 936475940 /nfs/dbraw/zinc/47/59/40/936475940.db2.gz TWHFYVFYRHZVKZ-GFCCVEGCSA-N 1 0 268.332 1.294 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C[C@@H](C)[NH3+])CC2)cc1F ZINC000831143261 936493977 /nfs/dbraw/zinc/49/39/77/936493977.db2.gz MDHDSACVHRMCEE-LLVKDONJSA-N 1 0 295.358 1.220 20 10 CDCDRO Cc1c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c2ccccc2n1C ZINC001138252438 936501484 /nfs/dbraw/zinc/50/14/84/936501484.db2.gz HIVRVBBPANRMEG-LRDDRELGSA-N 1 0 274.364 1.272 20 10 CDCDRO Cc1cnc(N2CC[NH+](Cc3ccccc3O)CC2)nc1 ZINC001203562328 918406021 /nfs/dbraw/zinc/40/60/21/918406021.db2.gz IBYTWZSNFROGMZ-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359119 936526090 /nfs/dbraw/zinc/52/60/90/936526090.db2.gz LHEQZQZVXGCOBX-INIZCTEOSA-N 1 0 287.407 1.779 20 10 CDCDRO COc1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)c(O)c1 ZINC000832178413 936563658 /nfs/dbraw/zinc/56/36/58/936563658.db2.gz QZJZLXKRYFLBDL-GFCCVEGCSA-N 1 0 264.325 1.144 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CCOC2)cc1 ZINC000832273361 936571145 /nfs/dbraw/zinc/57/11/45/936571145.db2.gz NPOCTBLQTGRZMS-WFASDCNBSA-N 1 0 291.395 1.295 20 10 CDCDRO CCOc1cccc(CN2CC(=O)N3CCC[C@H]3C2)c1O ZINC001203613638 919516803 /nfs/dbraw/zinc/51/68/03/919516803.db2.gz CKIDFQTWZDXHTD-ZDUSSCGKSA-N 1 0 290.363 1.598 20 10 CDCDRO CN1CC[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272903017 920013680 /nfs/dbraw/zinc/01/36/80/920013680.db2.gz JSNURMAHPHNWRF-OAHLLOKOSA-N 1 0 276.336 1.152 20 10 CDCDRO C[NH+](C)C[C@H]1COCCN1Cc1cc(F)ccc1O ZINC001140058539 936675185 /nfs/dbraw/zinc/67/51/85/936675185.db2.gz GARHNEGJKLVZDA-ZDUSSCGKSA-N 1 0 268.332 1.294 20 10 CDCDRO Oc1cc(Cl)ccc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140468374 936713026 /nfs/dbraw/zinc/71/30/26/936713026.db2.gz INAJTFYXJAFAJB-LBPRGKRZSA-N 1 0 252.745 1.936 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660406 936736193 /nfs/dbraw/zinc/73/61/93/936736193.db2.gz QQZMHUHWJYFQBS-OAHLLOKOSA-N 1 0 294.370 1.883 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)N(C)C)CC2)c1 ZINC001140624040 936732325 /nfs/dbraw/zinc/73/23/25/936732325.db2.gz DJGQOAJIVMXCEC-UHFFFAOYSA-N 1 0 291.395 1.936 20 10 CDCDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660436 936736074 /nfs/dbraw/zinc/73/60/74/936736074.db2.gz RNWAJXCJNMRUPT-OAHLLOKOSA-N 1 0 294.370 1.619 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+](CCCO)C(C)C)c1O ZINC001140745361 936748975 /nfs/dbraw/zinc/74/89/75/936748975.db2.gz HATCZBODGGSPLE-UHFFFAOYSA-N 1 0 253.342 1.999 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC3(CC(O)C3)C2)c(OC)c1 ZINC001141032130 936795959 /nfs/dbraw/zinc/79/59/59/936795959.db2.gz UFNPENMGJGAMNB-UHFFFAOYSA-N 1 0 279.336 1.366 20 10 CDCDRO Oc1ccc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC001141158652 936822187 /nfs/dbraw/zinc/82/21/87/936822187.db2.gz IKHXHMWBKAKCLU-ZDUSSCGKSA-N 1 0 262.353 1.768 20 10 CDCDRO CN1CC2(CC1=O)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141162038 936823224 /nfs/dbraw/zinc/82/32/24/936823224.db2.gz JSIHAPNYXJBFTP-UHFFFAOYSA-N 1 0 290.363 1.542 20 10 CDCDRO CN(C)c1ccc(CNC[C@@H]([NH3+])C2CC2)cc1F ZINC000841049298 936973598 /nfs/dbraw/zinc/97/35/98/936973598.db2.gz JMPQMLYIJAAJOI-CYBMUJFWSA-N 1 0 251.349 1.719 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001142531421 937027580 /nfs/dbraw/zinc/02/75/80/937027580.db2.gz XBDPNKMZPLLFNW-JTQLQIEISA-N 1 0 254.280 1.560 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000843489965 937156023 /nfs/dbraw/zinc/15/60/23/937156023.db2.gz ULVWGWVSWIXSEN-BMIGLBTASA-N 1 0 278.352 1.720 20 10 CDCDRO CN(CCC[NH2+][C@@H]1CCc2cccc(O)c21)S(C)(=O)=O ZINC000692466502 937230517 /nfs/dbraw/zinc/23/05/17/937230517.db2.gz LJDNWRRQMYAZMP-GFCCVEGCSA-N 1 0 298.408 1.251 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000858319842 928836489 /nfs/dbraw/zinc/83/64/89/928836489.db2.gz IPMNLNJMNFTUKM-QMMMGPOBSA-N 1 0 272.732 1.544 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c(O)c1 ZINC000697580933 937284033 /nfs/dbraw/zinc/28/40/33/937284033.db2.gz XUICKBNNTCHNMZ-MNOVXSKESA-N 1 0 271.382 1.784 20 10 CDCDRO CCc1cccc(C[NH2+]CCCS(C)(=O)=O)c1O ZINC000691496871 929063652 /nfs/dbraw/zinc/06/36/52/929063652.db2.gz AUBXEPHRYOQHRP-UHFFFAOYSA-N 1 0 271.382 1.479 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](CCO)COC)c1O ZINC000691493783 929067223 /nfs/dbraw/zinc/06/72/23/929067223.db2.gz LDTBFOOSKUHSCE-CYBMUJFWSA-N 1 0 253.342 1.442 20 10 CDCDRO O=C(C[NH2+][C@H]1CCCOCC1)c1ccc(O)c(O)c1 ZINC001170788436 930031760 /nfs/dbraw/zinc/03/17/60/930031760.db2.gz RRICHOOLHMNMTK-NSHDSACASA-N 1 0 265.309 1.439 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C[NH+]2CCCC2)c1 ZINC000821065436 931004204 /nfs/dbraw/zinc/00/42/04/931004204.db2.gz ODMGCUBIIHMVDJ-UHFFFAOYSA-N 1 0 264.325 1.113 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCN1CCOCC1 ZINC000844219985 931557096 /nfs/dbraw/zinc/55/70/96/931557096.db2.gz PUTYCWZXFNBRNX-UHFFFAOYSA-N 1 0 289.423 1.620 20 10 CDCDRO C[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H]1CO ZINC001144499186 931858871 /nfs/dbraw/zinc/85/88/71/931858871.db2.gz DLRACCDNALZZGX-JOYOIKCWSA-N 1 0 267.325 1.396 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144504354 931865728 /nfs/dbraw/zinc/86/57/28/931865728.db2.gz QRJMPFUGLOSHGU-SECBINFHSA-N 1 0 253.298 1.272 20 10 CDCDRO O=C1CCC2(CC[NH+](Cc3c(O)cc(O)cc3O)CC2)O1 ZINC001144514378 931877537 /nfs/dbraw/zinc/87/75/37/931877537.db2.gz ALKYMHLTAGSUOI-UHFFFAOYSA-N 1 0 293.319 1.475 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1O ZINC000846146615 931986292 /nfs/dbraw/zinc/98/62/92/931986292.db2.gz RHTACKLGGFLRGU-QWHCGFSZSA-N 1 0 294.395 1.772 20 10 CDCDRO O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CCc2cccc(O)c2C1 ZINC001160871986 932207536 /nfs/dbraw/zinc/20/75/36/932207536.db2.gz DRYXITHPORYEMI-YPMHNXCESA-N 1 0 278.327 1.225 20 10 CDCDRO [NH3+]Cc1ccc2c(n1)N(C(=O)c1cccc(O)c1O)CCC2 ZINC001148219991 932672590 /nfs/dbraw/zinc/67/25/90/932672590.db2.gz JKQQIKIZXYAKSR-UHFFFAOYSA-N 1 0 299.330 1.545 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H](C)C1 ZINC001148225064 932673448 /nfs/dbraw/zinc/67/34/48/932673448.db2.gz CUYGALHDZJLCNT-WCQYABFASA-N 1 0 292.379 1.946 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206656941 937657153 /nfs/dbraw/zinc/65/71/53/937657153.db2.gz NJYZZDJYMKUQJY-ZDUSSCGKSA-N 1 0 269.339 1.921 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)[NH3+] ZINC000040923405 934180934 /nfs/dbraw/zinc/18/09/34/934180934.db2.gz WRWGHHKGTSLDAR-UHFFFAOYSA-N 1 0 263.385 1.838 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000779203713 934474626 /nfs/dbraw/zinc/47/46/26/934474626.db2.gz HRGPNBSFLUZCAL-ZYHUDNBSSA-N 1 0 278.352 1.487 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(NC(C)=O)CC2)c1O ZINC000092669601 934896991 /nfs/dbraw/zinc/89/69/91/934896991.db2.gz NCTZUEAWRUTQIE-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)cc1 ZINC000281406864 935718138 /nfs/dbraw/zinc/71/81/38/935718138.db2.gz XZJOOMDZSOQOGQ-HIFRSBDPSA-N 1 0 289.379 1.683 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)C[NH3+] ZINC001121926985 937891230 /nfs/dbraw/zinc/89/12/30/937891230.db2.gz UHBAZSHBIRSFKH-UHFFFAOYSA-N 1 0 291.395 1.853 20 10 CDCDRO CC[C@H](C(=O)NCc1c(O)cccc1O)[NH+](C)C ZINC001156885271 938428667 /nfs/dbraw/zinc/42/86/67/938428667.db2.gz BPOZSPIFQGEWTJ-SNVBAGLBSA-N 1 0 252.314 1.054 20 10 CDCDRO NC(=O)[C@@H]1CCSC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278255717 945216505 /nfs/dbraw/zinc/21/65/05/945216505.db2.gz WYHFARKWGWDQCN-NSHDSACASA-N 1 0 296.367 1.324 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN(c2cncnc2)CC1 ZINC001203558535 939693061 /nfs/dbraw/zinc/69/30/61/939693061.db2.gz MCUNGLRQIJXOOM-UHFFFAOYSA-N 1 0 270.336 1.504 20 10 CDCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC001203556350 939693516 /nfs/dbraw/zinc/69/35/16/939693516.db2.gz NHLNGCVWXMLURJ-ZDUSSCGKSA-N 1 0 262.353 1.692 20 10 CDCDRO COC(=O)CCN(CCC[NH+](C)C)Cc1ccccc1O ZINC001203556647 939693579 /nfs/dbraw/zinc/69/35/79/939693579.db2.gz SKJWLRUZHWNTSA-UHFFFAOYSA-N 1 0 294.395 1.709 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c(O)c1 ZINC001203634676 939698967 /nfs/dbraw/zinc/69/89/67/939698967.db2.gz QLZQHRVSDVVJCB-UHFFFAOYSA-N 1 0 291.351 1.048 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1cc(Cl)ccc1O ZINC001203663716 939700552 /nfs/dbraw/zinc/70/05/52/939700552.db2.gz FHVRTGPXHNRRHS-UHFFFAOYSA-N 1 0 270.760 1.956 20 10 CDCDRO O=C(NC1CC[NH+](Cc2ccc(O)cc2O)CC1)C1CC1 ZINC001204274740 939749926 /nfs/dbraw/zinc/74/99/26/939749926.db2.gz IDABWGIAPRTLPE-UHFFFAOYSA-N 1 0 290.363 1.588 20 10 CDCDRO CC(C)(C)[N@@H+](Cc1ccc(O)cc1O)C[C@@H](O)CO ZINC001204275865 939750041 /nfs/dbraw/zinc/75/00/41/939750041.db2.gz CYXGDOLYNZPXLQ-GFCCVEGCSA-N 1 0 269.341 1.052 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCC1(F)F ZINC001204277237 939751128 /nfs/dbraw/zinc/75/11/28/939751128.db2.gz WZSLHQPUEJLUJE-JTQLQIEISA-N 1 0 273.279 1.547 20 10 CDCDRO O=C1NCC[C@@]12CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204324571 939755615 /nfs/dbraw/zinc/75/56/15/939755615.db2.gz NCGAWQNPSUJWER-SFHVURJKSA-N 1 0 299.418 1.999 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ZINC001258480588 948876397 /nfs/dbraw/zinc/87/63/97/948876397.db2.gz DAWTZXABGGONHH-JTQLQIEISA-N 1 0 267.325 1.919 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)CCF)c(O)c1 ZINC001249224042 949465578 /nfs/dbraw/zinc/46/55/78/949465578.db2.gz RQRLWYXYHXLJRH-UHFFFAOYSA-N 1 0 255.289 1.509 20 10 CDCDRO CC(C)OC[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001252690178 951582251 /nfs/dbraw/zinc/58/22/51/951582251.db2.gz AZXQDEZONGJKEY-LBPRGKRZSA-N 1 0 269.341 1.016 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001252829004 951670121 /nfs/dbraw/zinc/67/01/21/951670121.db2.gz WMUKXVSFHMCZNI-JTQLQIEISA-N 1 0 296.754 1.691 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@]2(CO)CCOC2)cc1F ZINC001329721913 956081861 /nfs/dbraw/zinc/08/18/61/956081861.db2.gz HIVDLKUPCRGFPW-CQSZACIVSA-N 1 0 286.322 1.272 20 10 CDCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001308579256 956550964 /nfs/dbraw/zinc/55/09/64/956550964.db2.gz ZNNFWWMUKKCHSC-VIFPVBQESA-N 1 0 284.306 1.758 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCN(CCO)[C@@H](C)C2)c(O)c1 ZINC001308709230 956567368 /nfs/dbraw/zinc/56/73/68/956567368.db2.gz LJWUYDVYFNQFKP-ZDUSSCGKSA-N 1 0 294.395 1.208 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1OC ZINC001308805619 956581901 /nfs/dbraw/zinc/58/19/01/956581901.db2.gz ZFPLJWZSLOKNMO-HNNXBMFYSA-N 1 0 294.351 1.168 20 10 CDCDRO CCC[NH2+]CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC001331418427 957036958 /nfs/dbraw/zinc/03/69/58/957036958.db2.gz IHJRCRQPKNJPJS-UHFFFAOYSA-N 1 0 295.402 1.752 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2c(O)cccc2OC)CC1 ZINC001320494450 959205849 /nfs/dbraw/zinc/20/58/49/959205849.db2.gz QORHIIDSJZWOHW-UHFFFAOYSA-N 1 0 294.351 1.675 20 10 CDCDRO COc1ccnc(N2CC[NH+](Cc3ccc(N)cc3)CC2)n1 ZINC001335285567 959682964 /nfs/dbraw/zinc/68/29/64/959682964.db2.gz PQFZELSCPJZANQ-UHFFFAOYSA-N 1 0 299.378 1.390 20 10 CDCDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC001335951678 960118770 /nfs/dbraw/zinc/11/87/70/960118770.db2.gz KAHIVOUWVRZPRZ-AWEZNQCLSA-N 1 0 292.379 1.834 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)NCc1ccc(N)cc1 ZINC001336016987 960155065 /nfs/dbraw/zinc/15/50/65/960155065.db2.gz GSYALNSLOXYPGJ-UHFFFAOYSA-N 1 0 278.400 1.800 20 10 CDCDRO CN1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)C1=O ZINC001324388019 961350935 /nfs/dbraw/zinc/35/09/35/961350935.db2.gz BRMGHDHLZCAWDC-INIZCTEOSA-N 1 0 287.407 1.949 20 10 CDCDRO CN(C)c1cc[nH+]c(CNC(=O)NCc2ccc(N)cc2)c1 ZINC001353503284 968026519 /nfs/dbraw/zinc/02/65/19/968026519.db2.gz TUCHSOIWWBQIHB-UHFFFAOYSA-N 1 0 299.378 1.729 20 10 CDCDRO C[C@H](C(=O)NCc1cccc(O)c1O)[NH+]1CCCCCC1 ZINC001528771819 968927653 /nfs/dbraw/zinc/92/76/53/968927653.db2.gz ZWEIYIRYIHKSKA-GFCCVEGCSA-N 1 0 292.379 1.979 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000130597896 342216420 /nfs/dbraw/zinc/21/64/20/342216420.db2.gz ISWNBIYGFSYDNN-LLVKDONJSA-N 1 0 263.341 1.215 20 10 CDCDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000295139988 199368404 /nfs/dbraw/zinc/36/84/04/199368404.db2.gz ZKXMSBMNSVWMOW-OAHLLOKOSA-N 1 0 297.326 1.543 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000036794998 356253391 /nfs/dbraw/zinc/25/33/91/356253391.db2.gz KFYBGPJZROMKDV-VHSXEESVSA-N 1 0 266.341 1.576 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000180200601 357251216 /nfs/dbraw/zinc/25/12/16/357251216.db2.gz JNUHXOMKWOMMFM-ZDUSSCGKSA-N 1 0 294.370 1.685 20 10 CDCDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000188827417 357942558 /nfs/dbraw/zinc/94/25/58/357942558.db2.gz QCRSOIWSSNOKPV-MRXNPFEDSA-N 1 0 278.396 1.990 20 10 CDCDRO C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000191221091 358120977 /nfs/dbraw/zinc/12/09/77/358120977.db2.gz XBLUSLKKYPXWBX-STQMWFEESA-N 1 0 266.385 1.316 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCN(CC)C(=O)C2)c1O ZINC000191540327 358137179 /nfs/dbraw/zinc/13/71/79/358137179.db2.gz RYXRBODUFAPHML-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO CN(C)c1ccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000092676418 358559987 /nfs/dbraw/zinc/55/99/87/358559987.db2.gz XPRLFLPZDABIMV-HOTGVXAUSA-N 1 0 287.407 1.996 20 10 CDCDRO CCn1cc(C[NH2+]Cc2cc(OC)ccc2O)cn1 ZINC000114506047 359479286 /nfs/dbraw/zinc/47/92/86/359479286.db2.gz RTZJTRRQDDKUED-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO COC[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)OC ZINC000230672282 360338831 /nfs/dbraw/zinc/33/88/31/360338831.db2.gz UAXGCNQWTMEHAN-MWLCHTKSSA-N 1 0 257.305 1.843 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000293544684 370681516 /nfs/dbraw/zinc/68/15/16/370681516.db2.gz DHBFVAPETPXFFZ-NSHDSACASA-N 1 0 267.325 1.630 20 10 CDCDRO COCC1(O)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000271213916 364976504 /nfs/dbraw/zinc/97/65/04/364976504.db2.gz ZTJWOPGCVLRFJF-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[NH+](C)C)cc1 ZINC000170760174 365104388 /nfs/dbraw/zinc/10/43/88/365104388.db2.gz MUHGUUOQDQZWCE-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@H](COC)OC)c(O)c1 ZINC000272709216 365360684 /nfs/dbraw/zinc/36/06/84/365360684.db2.gz UXDHCSMPGZSCEO-CQSZACIVSA-N 1 0 283.368 1.932 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000273752163 365522380 /nfs/dbraw/zinc/52/23/80/365522380.db2.gz NROAEEHDJNCIBK-NSHDSACASA-N 1 0 298.770 1.717 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1O ZINC000293841314 370820700 /nfs/dbraw/zinc/82/07/00/370820700.db2.gz IZVIEKPWCPHPOT-MRXNPFEDSA-N 1 0 290.363 1.574 20 10 CDCDRO CCOc1ccc(O)c(CN(CCOC)CC[NH+](C)C)c1 ZINC000289467656 369561082 /nfs/dbraw/zinc/56/10/82/369561082.db2.gz PCOOCWCAJGFXRZ-UHFFFAOYSA-N 1 0 296.411 1.801 20 10 CDCDRO COC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000294113379 371354435 /nfs/dbraw/zinc/35/44/35/371354435.db2.gz CZQDCFSUFPYJTP-HNNXBMFYSA-N 1 0 279.336 1.979 20 10 CDCDRO [NH3+]CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000237981766 376008193 /nfs/dbraw/zinc/00/81/93/376008193.db2.gz RYNIVZSOMFBROM-SNVBAGLBSA-N 1 0 299.321 1.332 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N(C)C)cc1 ZINC000293747628 378589067 /nfs/dbraw/zinc/58/90/67/378589067.db2.gz QAQBIULHYFASLN-MAZHCROVSA-N 1 0 278.396 1.943 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000295944513 378703308 /nfs/dbraw/zinc/70/33/08/378703308.db2.gz LQTDIGAFYZLPFZ-DRZCJDIDSA-N 1 0 277.364 1.681 20 10 CDCDRO CCOc1cccc(C[N@H+](CC(N)=O)C(C)C)c1O ZINC000133019919 390901081 /nfs/dbraw/zinc/90/10/81/390901081.db2.gz JRNTVOASRYBNPZ-UHFFFAOYSA-N 1 0 266.341 1.487 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1F ZINC000270034774 391262627 /nfs/dbraw/zinc/26/26/27/391262627.db2.gz YYDKOWNZGLJTFQ-CQSZACIVSA-N 1 0 268.332 1.133 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccccc1O ZINC000183543289 391266989 /nfs/dbraw/zinc/26/69/89/391266989.db2.gz ALIGPDPJCLREIP-ZWNOBZJWSA-N 1 0 253.367 1.911 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000271345586 391293702 /nfs/dbraw/zinc/29/37/02/391293702.db2.gz KIIRODWGTIFEOV-UHFFFAOYSA-N 1 0 256.296 1.775 20 10 CDCDRO C[C@@H]([NH3+])CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000193322970 391336376 /nfs/dbraw/zinc/33/63/76/391336376.db2.gz AIJDLJHTBKKHME-LLVKDONJSA-N 1 0 277.368 1.605 20 10 CDCDRO COCCOCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000288711067 397879655 /nfs/dbraw/zinc/87/96/55/397879655.db2.gz VGMFIVKWVDONSB-UHFFFAOYSA-N 1 0 283.324 1.216 20 10 CDCDRO NC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000006321037 170191202 /nfs/dbraw/zinc/19/12/02/170191202.db2.gz NPGXCEZOANBGOX-UHFFFAOYSA-N 1 0 268.744 1.743 20 10 CDCDRO CCOc1cccc(C[NH2+]CCCS(C)(=O)=O)c1O ZINC000038047182 174057021 /nfs/dbraw/zinc/05/70/21/174057021.db2.gz DLWFZPNFFSYCRK-UHFFFAOYSA-N 1 0 287.381 1.315 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060813 174071611 /nfs/dbraw/zinc/07/16/11/174071611.db2.gz XVFDLGQVYUCQPD-NWDGAFQWSA-N 1 0 251.326 1.767 20 10 CDCDRO C[C@@H]([NH2+]CC1(CO)COC1)c1cc(F)ccc1O ZINC000186146597 262081952 /nfs/dbraw/zinc/08/19/52/262081952.db2.gz DIGUVKNTCRUCTH-SECBINFHSA-N 1 0 255.289 1.191 20 10 CDCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000125562111 262606460 /nfs/dbraw/zinc/60/64/60/262606460.db2.gz KNYOMDZVZUDCGJ-HOGDKLEQSA-N 1 0 285.365 1.368 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1O ZINC000272539161 263006383 /nfs/dbraw/zinc/00/63/83/263006383.db2.gz BWNPYRFSHRAYFB-OCCSQVGLSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1OC ZINC000271811179 328197595 /nfs/dbraw/zinc/19/75/95/328197595.db2.gz KUBNBDIFRWDNJB-QWRGUYRKSA-N 1 0 281.352 1.924 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)NC)c(O)c1 ZINC000093899431 327146167 /nfs/dbraw/zinc/14/61/67/327146167.db2.gz HKWCZOQQQBGLGL-GFCCVEGCSA-N 1 0 294.395 1.995 20 10 CDCDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCCCNC1=O ZINC000378491194 329052692 /nfs/dbraw/zinc/05/26/92/329052692.db2.gz FMHPPVIWAXWUOA-LBPRGKRZSA-N 1 0 266.316 1.632 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1 ZINC000135204736 334119640 /nfs/dbraw/zinc/11/96/40/334119640.db2.gz VKVIYUQZRFAUCM-ZJUUUORDSA-N 1 0 265.309 1.636 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000276738699 520199577 /nfs/dbraw/zinc/19/95/77/520199577.db2.gz RPFZYUYUZYSTFO-LLVKDONJSA-N 1 0 281.375 1.848 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@H]1OC ZINC000274847863 520368599 /nfs/dbraw/zinc/36/85/99/520368599.db2.gz ATWGTJDAUXKUNH-MRVWCRGKSA-N 1 0 269.316 1.813 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000069172780 521642563 /nfs/dbraw/zinc/64/25/63/521642563.db2.gz JTXZFEHEAGSIBQ-UHFFFAOYSA-N 1 0 269.366 1.146 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)CCC[NH3+] ZINC000236731761 521687961 /nfs/dbraw/zinc/68/79/61/521687961.db2.gz KWABAIQXHWGJNB-UHFFFAOYSA-N 1 0 250.342 1.870 20 10 CDCDRO CN(C)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000128097859 521852616 /nfs/dbraw/zinc/85/26/16/521852616.db2.gz DZJPXFPQMZCVDF-MRXNPFEDSA-N 1 0 277.412 1.515 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCOCCO)cc1 ZINC000265921086 522170600 /nfs/dbraw/zinc/17/06/00/522170600.db2.gz YHNCBVMHCCWMGO-UHFFFAOYSA-N 1 0 252.358 1.193 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1 ZINC000068803374 522207679 /nfs/dbraw/zinc/20/76/79/522207679.db2.gz NWHPCOUEXRYQBC-MRXNPFEDSA-N 1 0 276.428 1.088 20 10 CDCDRO COC(=O)CC[N@H+](Cc1cc2c(cc1O)OCO2)C(C)C ZINC000264936200 523069273 /nfs/dbraw/zinc/06/92/73/523069273.db2.gz RHCJUNIPCXHUTL-UHFFFAOYSA-N 1 0 295.335 1.894 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1OC ZINC000234864318 523737355 /nfs/dbraw/zinc/73/73/55/523737355.db2.gz ALQMWSSXWCUKDU-BETUJISGSA-N 1 0 255.289 1.377 20 10 CDCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000291959455 524100426 /nfs/dbraw/zinc/10/04/26/524100426.db2.gz RRJAHYDJCUDXTN-YUMQZZPRSA-N 1 0 256.733 1.831 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000281010304 524752129 /nfs/dbraw/zinc/75/21/29/524752129.db2.gz YMEILJIZRUDXHW-WCQYABFASA-N 1 0 281.352 1.135 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000237540598 524855572 /nfs/dbraw/zinc/85/55/72/524855572.db2.gz YWRQOKRLALYYCU-SMDDNHRTSA-N 1 0 261.369 1.540 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(F)ccc1O ZINC000280936824 525303958 /nfs/dbraw/zinc/30/39/58/525303958.db2.gz SEMPMPIHPCGCCC-ZETCQYMHSA-N 1 0 276.258 1.563 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000036977254 526032813 /nfs/dbraw/zinc/03/28/13/526032813.db2.gz FIIYYZRJFMEKJK-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000262627430 527210413 /nfs/dbraw/zinc/21/04/13/527210413.db2.gz MENCRLWJAMNRGP-GXTWGEPZSA-N 1 0 261.369 1.445 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1 ZINC000773811894 575839432 /nfs/dbraw/zinc/83/94/32/575839432.db2.gz DJHWXAGGUBDSDY-ZDUSSCGKSA-N 1 0 275.396 1.853 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC000768141179 576260379 /nfs/dbraw/zinc/26/03/79/576260379.db2.gz QSSLKWHGOSKRGT-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)NCCO)CC2)c1 ZINC000768319990 576271584 /nfs/dbraw/zinc/27/15/84/576271584.db2.gz OUYKWPSFUGJPJT-UHFFFAOYSA-N 1 0 292.379 1.021 20 10 CDCDRO OCCCC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000769396139 576351556 /nfs/dbraw/zinc/35/15/56/576351556.db2.gz WEZDDKFUSXCDNP-UHFFFAOYSA-N 1 0 298.814 1.936 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC1(O)CCC1 ZINC000761218322 576560779 /nfs/dbraw/zinc/56/07/79/576560779.db2.gz AZWRBRGWGAGRDV-UHFFFAOYSA-N 1 0 265.309 1.468 20 10 CDCDRO CCN(C)c1ccc(CN2CC[NH+](CCO)CC2)cc1 ZINC000741753317 576570761 /nfs/dbraw/zinc/57/07/61/576570761.db2.gz SSSHCUCFLZYNHH-UHFFFAOYSA-N 1 0 277.412 1.253 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCCn2cncn2)cc1C ZINC000742369397 576597846 /nfs/dbraw/zinc/59/78/46/576597846.db2.gz FDCRXHNXDHAQDO-UHFFFAOYSA-N 1 0 260.341 1.780 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CCNC(=O)N(C)C ZINC000757867456 577058623 /nfs/dbraw/zinc/05/86/23/577058623.db2.gz VFJVGYPIUDYXQU-UHFFFAOYSA-N 1 0 281.356 1.104 20 10 CDCDRO C[N@@H+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1(C)C ZINC000892039809 617434853 /nfs/dbraw/zinc/43/48/53/617434853.db2.gz ZNMLOQIJFOFCNU-UHFFFAOYSA-N 1 0 290.411 1.547 20 10 CDCDRO [NH3+][C@@H](CNC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000892049717 617443801 /nfs/dbraw/zinc/44/38/01/617443801.db2.gz XJPDKFIQGZKNMV-LBPRGKRZSA-N 1 0 261.325 1.155 20 10 CDCDRO COc1cc(C)cc(CN2CC[NH+](C[C@@H](C)O)CC2)c1O ZINC000894001140 618242542 /nfs/dbraw/zinc/24/25/42/618242542.db2.gz JGAZYLVWRXHNQS-CYBMUJFWSA-N 1 0 294.395 1.208 20 10 CDCDRO COc1ccc(C[NH2+][C@@]2(CCO)CCOC2)c(O)c1OC ZINC000894069625 618350473 /nfs/dbraw/zinc/35/04/73/618350473.db2.gz DRTHJIABGBBWEI-HNNXBMFYSA-N 1 0 297.351 1.041 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000894281403 618448441 /nfs/dbraw/zinc/44/84/41/618448441.db2.gz SZIBKKQVVHJRHP-CYBMUJFWSA-N 1 0 292.379 1.808 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c(O)c1 ZINC000818233887 618503371 /nfs/dbraw/zinc/50/33/71/618503371.db2.gz QEOFEZULEXRYIX-LBPRGKRZSA-N 1 0 292.335 1.028 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000822503043 618548057 /nfs/dbraw/zinc/54/80/57/618548057.db2.gz DBFVSGFRZRGVOB-CYBMUJFWSA-N 1 0 288.351 1.829 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCN(C)C2)c1O ZINC000042544183 618588711 /nfs/dbraw/zinc/58/87/11/618588711.db2.gz WPTRAFYMPHKRSA-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccccn2)cc1 ZINC000841042329 618677899 /nfs/dbraw/zinc/67/78/99/618677899.db2.gz IEEQIPCDDVWDAF-MRXNPFEDSA-N 1 0 270.380 1.937 20 10 CDCDRO COc1ccc(C[N@H+](C)C[C@H](O)C2CC2)c(O)c1OC ZINC000894472761 618901975 /nfs/dbraw/zinc/90/19/75/618901975.db2.gz WBUJHTABCUQMQT-LBPRGKRZSA-N 1 0 281.352 1.612 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COCO2)cc1F ZINC000894871407 619112267 /nfs/dbraw/zinc/11/22/67/619112267.db2.gz DQBTVXBYIWIWME-LLVKDONJSA-N 1 0 254.305 1.354 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC000895317054 619547835 /nfs/dbraw/zinc/54/78/35/619547835.db2.gz LXZNWLFTWAJUJD-CYBMUJFWSA-N 1 0 278.352 1.405 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000895389196 619628591 /nfs/dbraw/zinc/62/85/91/619628591.db2.gz NTXHJPNFPOBFLM-ZDUSSCGKSA-N 1 0 292.379 1.762 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000895418834 619651222 /nfs/dbraw/zinc/65/12/22/619651222.db2.gz QTWRCTYLAIHOMK-KLPPZKSPSA-N 1 0 251.326 1.570 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c(O)c1OC ZINC000895515602 619705882 /nfs/dbraw/zinc/70/58/82/619705882.db2.gz WPIQZJWFKBEPMB-WCQYABFASA-N 1 0 295.379 1.860 20 10 CDCDRO COCC1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000895971810 619929133 /nfs/dbraw/zinc/92/91/33/619929133.db2.gz TVGDTKJNEDETOX-UHFFFAOYSA-N 1 0 267.325 1.488 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000896732878 620216360 /nfs/dbraw/zinc/21/63/60/620216360.db2.gz LKZUGQBDHZFVCI-CMPLNLGQSA-N 1 0 251.326 1.834 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC000897679385 621066404 /nfs/dbraw/zinc/06/64/04/621066404.db2.gz JUAXSUKOIDRTFR-UFBFGSQYSA-N 1 0 286.169 1.967 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898202313 621359162 /nfs/dbraw/zinc/35/91/62/621359162.db2.gz HJMRICXIZHJHMU-CQSZACIVSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@H]([NH3+])CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855894 621603418 /nfs/dbraw/zinc/60/34/18/621603418.db2.gz LQXVLZFSQCGKQQ-ZDUSSCGKSA-N 1 0 291.395 1.219 20 10 CDCDRO COC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000902564598 624951023 /nfs/dbraw/zinc/95/10/23/624951023.db2.gz UMHDFFINPMUPBC-AWEZNQCLSA-N 1 0 265.353 1.856 20 10 CDCDRO CC[C@H](C(=O)NCc1ccc(O)cc1O)[NH+](CC)CC ZINC000910950033 629114894 /nfs/dbraw/zinc/11/48/94/629114894.db2.gz AQGCWMQHSGSMLA-CYBMUJFWSA-N 1 0 280.368 1.834 20 10 CDCDRO Cc1cc(O)c(C[NH2+]Cc2cnnn2C)cc1Cl ZINC000825940096 630643113 /nfs/dbraw/zinc/64/31/13/630643113.db2.gz LTXNHEUVFGTXJB-UHFFFAOYSA-N 1 0 266.732 1.772 20 10 CDCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000921760718 633272152 /nfs/dbraw/zinc/27/21/52/633272152.db2.gz JUZJTSHPDYFKKT-MRXNPFEDSA-N 1 0 291.391 1.889 20 10 CDCDRO OCC1([NH2+]Cc2ccc(N3CCCC3)cc2)CCOCC1 ZINC000227213488 1161405150 /nfs/dbraw/zinc/40/51/50/1161405150.db2.gz BAIXFIIIOAEIJT-UHFFFAOYSA-N 1 0 290.407 1.918 20 10 CDCDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001578607113 1171961191 /nfs/dbraw/zinc/96/11/91/1171961191.db2.gz WLUSDKKFMMQCBF-NSHDSACASA-N 1 0 275.312 1.283 20 10 CDCDRO Cc1cc(O)c(CN2CC[NH2+][C@@H](CCO)C2)cc1Cl ZINC001579637962 1172230397 /nfs/dbraw/zinc/23/03/97/1172230397.db2.gz KYLOIDGBPKCRCV-LBPRGKRZSA-N 1 0 284.787 1.510 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H]2COCO2)c(O)c1 ZINC000894874029 755420943 /nfs/dbraw/zinc/42/09/43/755420943.db2.gz VCOUCPAKLYIEMQ-GFCCVEGCSA-N 1 0 253.298 1.253 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(O)c1 ZINC000877656715 753899133 /nfs/dbraw/zinc/89/91/33/753899133.db2.gz QAXAPBREIAVEIR-IYBDPMFKSA-N 1 0 279.380 1.513 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCN(CC)C2=O)c1 ZINC000922638870 754029436 /nfs/dbraw/zinc/02/94/36/754029436.db2.gz GWTVJVXSXXLJLJ-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000877368176 754031460 /nfs/dbraw/zinc/03/14/60/754031460.db2.gz SDZKIXVXJZILKA-LBPRGKRZSA-N 1 0 283.393 1.710 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000877118662 754075038 /nfs/dbraw/zinc/07/50/38/754075038.db2.gz JJTQYEDVSWBRGJ-LBPRGKRZSA-N 1 0 298.408 1.072 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])c(O)c1 ZINC000832178804 754083166 /nfs/dbraw/zinc/08/31/66/754083166.db2.gz XJZGPYNBXTZVPG-DTWKUNHWSA-N 1 0 252.314 1.000 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000399107934 754132623 /nfs/dbraw/zinc/13/26/23/754132623.db2.gz JEJZSCMVHFJAQD-CQSZACIVSA-N 1 0 261.369 1.496 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000841955601 754151376 /nfs/dbraw/zinc/15/13/76/754151376.db2.gz HTOGYZPBZQOYHB-NSHDSACASA-N 1 0 286.326 1.093 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000828666907 754160883 /nfs/dbraw/zinc/16/08/83/754160883.db2.gz JYPYJNTZOJHOBN-NEPJUHHUSA-N 1 0 292.379 1.968 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)CC1=O ZINC000391544662 754194198 /nfs/dbraw/zinc/19/41/98/754194198.db2.gz PNNJKZRFNJSOJB-MNOVXSKESA-N 1 0 278.352 1.672 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)NCC[NH2+]C)cc1 ZINC000841935048 754214819 /nfs/dbraw/zinc/21/48/19/754214819.db2.gz BSVWAWBNTPNSHB-UHFFFAOYSA-N 1 0 292.427 1.894 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000841652778 754237057 /nfs/dbraw/zinc/23/70/57/754237057.db2.gz GAWAKTAYSHQTAS-ZDUSSCGKSA-N 1 0 276.384 1.243 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1O ZINC000827699077 754298990 /nfs/dbraw/zinc/29/89/90/754298990.db2.gz DRNJGJHHQXOGHN-XHDPSFHLSA-N 1 0 265.353 1.851 20 10 CDCDRO COc1cccc(O)c1CN1CC[C@H](S(C)(=O)=O)C1 ZINC000800533549 754347525 /nfs/dbraw/zinc/34/75/25/754347525.db2.gz AZHUTDZOQQSMGC-JTQLQIEISA-N 1 0 285.365 1.020 20 10 CDCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000876713458 754381358 /nfs/dbraw/zinc/38/13/58/754381358.db2.gz QDEOJRYPYIHMDT-GDBMZVCRSA-N 1 0 291.395 1.136 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000828667091 754405196 /nfs/dbraw/zinc/40/51/96/754405196.db2.gz MUWMLNYRALWRCD-GUBZILKMSA-N 1 0 266.341 1.561 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000129474040 754442132 /nfs/dbraw/zinc/44/21/32/754442132.db2.gz KNAJTQXBIGTJQU-QGZVFWFLSA-N 1 0 290.407 1.870 20 10 CDCDRO CO[C@@]1(C[NH2+][C@H](C)c2ccccc2O)CCOC1 ZINC000123273522 754452570 /nfs/dbraw/zinc/45/25/70/754452570.db2.gz VVBMCXOHQDRXEL-BXUZGUMPSA-N 1 0 251.326 1.848 20 10 CDCDRO Oc1ccc(Cl)cc1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841087316 754462868 /nfs/dbraw/zinc/46/28/68/754462868.db2.gz UNDZPRFRDSXOPQ-LBPRGKRZSA-N 1 0 270.760 1.514 20 10 CDCDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccccc1O ZINC000783522431 754549086 /nfs/dbraw/zinc/54/90/86/754549086.db2.gz NUBFAWKVUUGCCF-NSHDSACASA-N 1 0 260.341 1.897 20 10 CDCDRO C[C@@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccccc1O ZINC000870988702 754569129 /nfs/dbraw/zinc/56/91/29/754569129.db2.gz XLSFQFGZUPVCFZ-NOZJJQNGSA-N 1 0 252.289 1.271 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccon2)cc1 ZINC000832272660 754580587 /nfs/dbraw/zinc/58/05/87/754580587.db2.gz IILAULIJMNRQLS-GFCCVEGCSA-N 1 0 274.324 1.170 20 10 CDCDRO CCc1cccc(C[N@H+](C)[C@]2(CO)CCOC2)c1O ZINC000862428962 754666696 /nfs/dbraw/zinc/66/66/96/754666696.db2.gz YBGOMDWGBOXBLA-HNNXBMFYSA-N 1 0 265.353 1.538 20 10 CDCDRO COc1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1C ZINC000863648812 754669395 /nfs/dbraw/zinc/66/93/95/754669395.db2.gz KCDUGHKLKCIMGU-UHFFFAOYSA-N 1 0 288.351 1.248 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000262228559 754690719 /nfs/dbraw/zinc/69/07/19/754690719.db2.gz NOYGVBAYNNSFSB-UHFFFAOYSA-N 1 0 273.380 1.508 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(NS(C)(=O)=O)CC2)c1 ZINC000123498773 754692841 /nfs/dbraw/zinc/69/28/41/754692841.db2.gz JMKBPWVOQJUNQR-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC000783722415 754726622 /nfs/dbraw/zinc/72/66/22/754726622.db2.gz CNHUBKFKRNQUKH-UHFFFAOYSA-N 1 0 292.335 1.475 20 10 CDCDRO COCC1([NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000814301868 754729423 /nfs/dbraw/zinc/72/94/23/754729423.db2.gz HKLSFNAGSASGIY-UHFFFAOYSA-N 1 0 277.364 1.907 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C2([NH+](C)C)CC2)cc1 ZINC000854324722 754748344 /nfs/dbraw/zinc/74/83/44/754748344.db2.gz NTGMAZMXXCSVJK-UHFFFAOYSA-N 1 0 275.396 1.805 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000846989749 754755612 /nfs/dbraw/zinc/75/56/12/754755612.db2.gz UCXQBKHUOLFQJE-LBPRGKRZSA-N 1 0 292.379 1.963 20 10 CDCDRO COc1cc(O)c(CN[C@@H](CC[NH3+])C(F)F)cc1OC ZINC000841073169 754808282 /nfs/dbraw/zinc/80/82/82/754808282.db2.gz FCGQHPNVIVCCQG-VIFPVBQESA-N 1 0 290.310 1.482 20 10 CDCDRO COCC(COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000388453083 754822519 /nfs/dbraw/zinc/82/25/19/754822519.db2.gz ZDFHYNQIMPKAJG-LBPRGKRZSA-N 1 0 251.326 1.631 20 10 CDCDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(F)ccc1O ZINC000825045872 754904424 /nfs/dbraw/zinc/90/44/24/754904424.db2.gz NHZHDROYLUXZDD-JTQLQIEISA-N 1 0 263.316 1.986 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827131779 754906439 /nfs/dbraw/zinc/90/64/39/754906439.db2.gz CFFULGLZQBHZPN-RISCZKNCSA-N 1 0 290.363 1.501 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)CC(=O)NC)c1O ZINC000323040595 755058159 /nfs/dbraw/zinc/05/81/59/755058159.db2.gz OLIYINFMPMFJQI-SNVBAGLBSA-N 1 0 266.341 1.405 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000323076468 755077829 /nfs/dbraw/zinc/07/78/29/755077829.db2.gz XUJGZYQZDYNCPR-VXGBXAGGSA-N 1 0 263.385 1.928 20 10 CDCDRO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921500623 755091596 /nfs/dbraw/zinc/09/15/96/755091596.db2.gz FPNBHNGHYMHTQJ-CYBMUJFWSA-N 1 0 295.404 1.536 20 10 CDCDRO Cn1cncc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000388379765 755181894 /nfs/dbraw/zinc/18/18/94/755181894.db2.gz KPGVTHCTXATDNE-UHFFFAOYSA-N 1 0 261.281 1.144 20 10 CDCDRO Nc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000841299581 755187315 /nfs/dbraw/zinc/18/73/15/755187315.db2.gz FBKVQZGSAMFQRZ-AWEZNQCLSA-N 1 0 274.368 1.875 20 10 CDCDRO C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000832267450 755305106 /nfs/dbraw/zinc/30/51/06/755305106.db2.gz SDMAHWIOOBWACZ-IAQYHMDHSA-N 1 0 275.396 1.915 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921988529 755331757 /nfs/dbraw/zinc/33/17/57/755331757.db2.gz FFTPTWPPAJRYSM-BBATYDOGSA-N 1 0 267.394 1.868 20 10 CDCDRO CCOc1ccc(C[NH2+]CC(=O)N(C)CC)c(O)c1 ZINC000775362198 755370440 /nfs/dbraw/zinc/37/04/40/755370440.db2.gz JXKZMNOVDMJFCC-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000877158829 755376306 /nfs/dbraw/zinc/37/63/06/755376306.db2.gz YZWZFMSYJJWGMU-LLVKDONJSA-N 1 0 260.337 1.554 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000848900263 755383113 /nfs/dbraw/zinc/38/31/13/755383113.db2.gz ZOKGRALUFQSNRF-DOMZBBRYSA-N 1 0 278.396 1.763 20 10 CDCDRO COc1c(O)c(CN(C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000863651792 755396696 /nfs/dbraw/zinc/39/66/96/755396696.db2.gz NDWXAXWBHSHJHA-QMMMGPOBSA-N 1 0 269.301 1.088 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000069911981 755411911 /nfs/dbraw/zinc/41/19/11/755411911.db2.gz UXAFFJVLSQOJJO-AWEZNQCLSA-N 1 0 253.342 1.491 20 10 CDCDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819097162 755416432 /nfs/dbraw/zinc/41/64/32/755416432.db2.gz YJMAYGOJNFBCPG-INIZCTEOSA-N 1 0 276.380 1.550 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(F)ccc1O ZINC000704357536 755419469 /nfs/dbraw/zinc/41/94/69/755419469.db2.gz QYRWXTPQPCAGAQ-CABZTGNLSA-N 1 0 266.316 1.803 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147394 755679213 /nfs/dbraw/zinc/67/92/13/755679213.db2.gz UOKIVUFOFSAXAO-XHDPSFHLSA-N 1 0 283.368 1.839 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c1 ZINC000877559135 755686040 /nfs/dbraw/zinc/68/60/40/755686040.db2.gz RXCGJNCCRATYJF-OAHLLOKOSA-N 1 0 278.396 1.637 20 10 CDCDRO Cn1cnc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000883283595 755795783 /nfs/dbraw/zinc/79/57/83/755795783.db2.gz LHKFVHNLLXAEKY-UHFFFAOYSA-N 1 0 299.422 1.462 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1O ZINC000846158247 755853596 /nfs/dbraw/zinc/85/35/96/755853596.db2.gz VOIJFQFCQFHFTB-ZWNOBZJWSA-N 1 0 291.351 1.519 20 10 CDCDRO COCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868217257 755859293 /nfs/dbraw/zinc/85/92/93/755859293.db2.gz RTQNSIXEORTKNG-GFCCVEGCSA-N 1 0 295.383 1.331 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000069911983 755860616 /nfs/dbraw/zinc/86/06/16/755860616.db2.gz UXAFFJVLSQOJJO-CQSZACIVSA-N 1 0 253.342 1.491 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000846173802 755876174 /nfs/dbraw/zinc/87/61/74/755876174.db2.gz UAMGDRXDWXRTOM-LBPRGKRZSA-N 1 0 294.399 1.120 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000827812627 755881169 /nfs/dbraw/zinc/88/11/69/755881169.db2.gz SGPJPZWZEFVEAE-JOCQHMNTSA-N 1 0 261.321 1.663 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000825158399 755908346 /nfs/dbraw/zinc/90/83/46/755908346.db2.gz KLKKUAHKPYDUFC-INIZCTEOSA-N 1 0 296.386 1.723 20 10 CDCDRO OC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC1CC1 ZINC000850389472 755915107 /nfs/dbraw/zinc/91/51/07/755915107.db2.gz XSYKCPRLSAEMRC-NSHDSACASA-N 1 0 279.336 1.619 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000824887095 756059794 /nfs/dbraw/zinc/05/97/94/756059794.db2.gz PSTRRQALPBOHBY-LBPRGKRZSA-N 1 0 279.359 1.602 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000852634585 756138123 /nfs/dbraw/zinc/13/81/23/756138123.db2.gz IDTAUOPMFHHOOZ-GJZGRUSLSA-N 1 0 287.407 1.711 20 10 CDCDRO COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCC[NH2+]2)c1 ZINC000817952617 756168727 /nfs/dbraw/zinc/16/87/27/756168727.db2.gz RWIMDHOHGIXWFU-JQWIXIFHSA-N 1 0 278.352 1.581 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1c(O)cccc1Cl ZINC000083551907 756237499 /nfs/dbraw/zinc/23/74/99/756237499.db2.gz XRBVQRRGVUKZGY-NSHDSACASA-N 1 0 284.787 1.856 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c(O)c1 ZINC000817981028 756321238 /nfs/dbraw/zinc/32/12/38/756321238.db2.gz GCVNMVAFMUWHPA-QWHCGFSZSA-N 1 0 264.369 1.730 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000877459416 756344459 /nfs/dbraw/zinc/34/44/59/756344459.db2.gz GKHABOIBJDPQRX-UHFFFAOYSA-N 1 0 276.336 1.775 20 10 CDCDRO Cc1n[nH]cc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278913 756347041 /nfs/dbraw/zinc/34/70/41/756347041.db2.gz GIOMUXLPJJYTKK-CQSZACIVSA-N 1 0 287.367 1.214 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)CCF)c1O ZINC000846209686 756363991 /nfs/dbraw/zinc/36/39/91/756363991.db2.gz SCWTYNNNEKLWMK-ZJUUUORDSA-N 1 0 257.305 1.772 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000312883973 756384682 /nfs/dbraw/zinc/38/46/82/756384682.db2.gz HTRURZQPGJMLLQ-UHFFFAOYSA-N 1 0 262.353 1.626 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2O)c2c1c(F)ccc2O ZINC000834897962 756511323 /nfs/dbraw/zinc/51/13/23/756511323.db2.gz XSULCXBUFYLBEX-DLYFRVTGSA-N 1 0 267.300 1.429 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2C1 ZINC000816954364 756568430 /nfs/dbraw/zinc/56/84/30/756568430.db2.gz ZNYAUFBVJUMNQF-ZTGIWPAFSA-N 1 0 288.347 1.274 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1cccc(C)c1O ZINC000124534049 756581797 /nfs/dbraw/zinc/58/17/97/756581797.db2.gz IXNYIKBEEANHOR-UHFFFAOYSA-N 1 0 250.342 1.611 20 10 CDCDRO COCCO[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877460520 756666416 /nfs/dbraw/zinc/66/64/16/756666416.db2.gz UHOQGCRWPQXOMO-ZDUSSCGKSA-N 1 0 265.353 1.938 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000382569230 756691744 /nfs/dbraw/zinc/69/17/44/756691744.db2.gz QBIPYVVIZBCXJZ-LBPRGKRZSA-N 1 0 259.733 1.533 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1[O-] ZINC000817981629 756691713 /nfs/dbraw/zinc/69/17/13/756691713.db2.gz MDGLMWSXNSWLSE-KOLCDFICSA-N 1 0 286.322 1.700 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c(O)c1 ZINC000865736843 756698265 /nfs/dbraw/zinc/69/82/65/756698265.db2.gz RYANUEWKLLJPIJ-STQMWFEESA-N 1 0 251.326 1.794 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000840975453 756756147 /nfs/dbraw/zinc/75/61/47/756756147.db2.gz NVQYXOJZFMZIDH-WBVHZDCISA-N 1 0 292.423 1.708 20 10 CDCDRO COC(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876626347 756810760 /nfs/dbraw/zinc/81/07/60/756810760.db2.gz WKRWRQZAQCMVHR-UHFFFAOYSA-N 1 0 264.325 1.585 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCc2cnccn2)c1 ZINC000389920256 756813161 /nfs/dbraw/zinc/81/31/61/756813161.db2.gz FJYJNTGJASVAQB-UHFFFAOYSA-N 1 0 259.309 1.523 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846154543 756826527 /nfs/dbraw/zinc/82/65/27/756826527.db2.gz NSVDKMJLAHWSEQ-MNOVXSKESA-N 1 0 290.363 1.815 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+][C@H](C)[C@@H]2C)c1O ZINC000379444577 756835894 /nfs/dbraw/zinc/83/58/94/756835894.db2.gz VVMCGSFGAZULPT-NEPJUHHUSA-N 1 0 264.369 1.973 20 10 CDCDRO Oc1ccc(Cl)cc1CNC[C@H]1C[NH2+]CCCO1 ZINC000841087315 756837333 /nfs/dbraw/zinc/83/73/33/756837333.db2.gz UNDZPRFRDSXOPQ-GFCCVEGCSA-N 1 0 270.760 1.514 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000877399723 756840325 /nfs/dbraw/zinc/84/03/25/756840325.db2.gz RPJWWXVZZWPMFV-OAHLLOKOSA-N 1 0 263.337 1.692 20 10 CDCDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)[C@H]1CCOC1 ZINC000850342518 756851776 /nfs/dbraw/zinc/85/17/76/756851776.db2.gz MDBYMAHRNUQMGP-SWLSCSKDSA-N 1 0 265.353 1.842 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(OC)ccc1O ZINC000809784224 756867258 /nfs/dbraw/zinc/86/72/58/756867258.db2.gz IVIIMAHQKXMHBG-LBPRGKRZSA-N 1 0 298.408 1.358 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1O ZINC000124837642 756928879 /nfs/dbraw/zinc/92/88/79/756928879.db2.gz CDYVAPYTQQHVIR-LBPRGKRZSA-N 1 0 269.366 1.367 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000178894319 756997307 /nfs/dbraw/zinc/99/73/07/756997307.db2.gz IWMYNRGFRUOXME-AWEZNQCLSA-N 1 0 265.353 1.856 20 10 CDCDRO CCCS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786141 757133859 /nfs/dbraw/zinc/13/38/59/757133859.db2.gz ZWTWLHRJZVKWJM-CYBMUJFWSA-N 1 0 285.413 1.082 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@H]([NH3+])C2)c1O ZINC000229102624 757470510 /nfs/dbraw/zinc/47/05/10/757470510.db2.gz YVXMCBQPCODKOF-JTQLQIEISA-N 1 0 256.733 1.587 20 10 CDCDRO CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC[NH2+]C1 ZINC000886856082 757629355 /nfs/dbraw/zinc/62/93/55/757629355.db2.gz FPRXIFFBBMJFCG-CYBMUJFWSA-N 1 0 280.343 1.918 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1O ZINC000840975178 757729792 /nfs/dbraw/zinc/72/97/92/757729792.db2.gz MDWWUYHRVGHJKJ-GWCFXTLKSA-N 1 0 271.744 1.221 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](C)O ZINC000824921092 757819458 /nfs/dbraw/zinc/81/94/58/757819458.db2.gz FEFOYLJDACFGGF-GXSJLCMTSA-N 1 0 269.341 1.658 20 10 CDCDRO C[C@H]([NH3+])CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843356121 757880294 /nfs/dbraw/zinc/88/02/94/757880294.db2.gz GEEJTWITIMSWMS-GXTWGEPZSA-N 1 0 264.369 1.720 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000092955702 757897701 /nfs/dbraw/zinc/89/77/01/757897701.db2.gz TZCLZKNGTREQPG-SMDDNHRTSA-N 1 0 261.369 1.367 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c(O)c1 ZINC000841028484 757938080 /nfs/dbraw/zinc/93/80/80/757938080.db2.gz HHQNRTVAOPQSSY-CYBMUJFWSA-N 1 0 252.358 1.864 20 10 CDCDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000136827648 758049091 /nfs/dbraw/zinc/04/90/91/758049091.db2.gz BSBHCBFVARJZNG-QWRGUYRKSA-N 1 0 279.336 1.714 20 10 CDCDRO Cn1cc(CN2CCCc3cc(C[NH3+])ccc32)nn1 ZINC000700925878 758052454 /nfs/dbraw/zinc/05/24/54/758052454.db2.gz XGXZKDSRIPRTFF-UHFFFAOYSA-N 1 0 257.341 1.227 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000829764575 758055310 /nfs/dbraw/zinc/05/53/10/758055310.db2.gz PLRSJWCRZZAXTD-GFCCVEGCSA-N 1 0 275.396 1.818 20 10 CDCDRO CC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878357509 758075080 /nfs/dbraw/zinc/07/50/80/758075080.db2.gz BUMXAELSYZQNGO-ZDUSSCGKSA-N 1 0 262.353 1.763 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@@H]1OC ZINC000840942321 758131397 /nfs/dbraw/zinc/13/13/97/758131397.db2.gz ZHSPYKJCVJVBMX-IYBDPMFKSA-N 1 0 278.396 1.907 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000841829317 758207377 /nfs/dbraw/zinc/20/73/77/758207377.db2.gz ZWOOHECVKWITNW-AWEZNQCLSA-N 1 0 290.411 1.612 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NCC2C[NH2+]C2)cc1 ZINC000841720633 758207642 /nfs/dbraw/zinc/20/76/42/758207642.db2.gz XPHFZIOVVRROQE-UHFFFAOYSA-N 1 0 290.411 1.551 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)NCCC[NH+]1CCCC1 ZINC000779488439 758331780 /nfs/dbraw/zinc/33/17/80/758331780.db2.gz GBDVQXRHQBMVDF-FNORWQNLSA-N 1 0 290.363 1.713 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CSCC[NH+](C)C)cc1 ZINC000171662992 758411193 /nfs/dbraw/zinc/41/11/93/758411193.db2.gz MHUNELMWCCOCIY-UHFFFAOYSA-N 1 0 295.452 1.664 20 10 CDCDRO COc1ccc(O)c(CNC[C@@H]2CCCC[NH2+]2)c1 ZINC000841033348 758503907 /nfs/dbraw/zinc/50/39/07/758503907.db2.gz RBUYBKCDRNTXTI-LBPRGKRZSA-N 1 0 250.342 1.633 20 10 CDCDRO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000802660921 758504814 /nfs/dbraw/zinc/50/48/14/758504814.db2.gz ZKBSNDJOSBDUJE-LBPRGKRZSA-N 1 0 259.708 1.952 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](CN)C2CC2)c1O ZINC000841028078 758526210 /nfs/dbraw/zinc/52/62/10/758526210.db2.gz LEQLYLLCJKERJT-GFCCVEGCSA-N 1 0 250.342 1.618 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877660080 758784797 /nfs/dbraw/zinc/78/47/97/758784797.db2.gz ILNAFNXPOATSLI-SNVBAGLBSA-N 1 0 252.314 1.199 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)O ZINC000393962033 758828784 /nfs/dbraw/zinc/82/87/84/758828784.db2.gz VGTCFTUUCRGQEN-ZDUSSCGKSA-N 1 0 278.396 1.772 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c1O ZINC000848890757 758837956 /nfs/dbraw/zinc/83/79/56/758837956.db2.gz URJSCRHYFUZGSG-UHFFFAOYSA-N 1 0 299.374 1.607 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000054543738 1166956422 /nfs/dbraw/zinc/95/64/22/1166956422.db2.gz MILXFHUSUBRERO-GFCCVEGCSA-N 1 0 270.332 1.853 20 10 CDCDRO Oc1cc(Br)ccc1CN[C@@H]1C[NH2+]CC12CC2 ZINC001580888688 1167725554 /nfs/dbraw/zinc/72/55/54/1167725554.db2.gz VXHRNDTXERRBPW-GFCCVEGCSA-N 1 0 297.196 1.996 20 10 CDCDRO Oc1ccc(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)cc1O ZINC001173754989 912793848 /nfs/dbraw/zinc/79/38/48/912793848.db2.gz FQBBONMANIYKMI-NWDGAFQWSA-N 1 0 289.339 1.358 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCOC1CCC1)OCO2 ZINC000690704832 895720360 /nfs/dbraw/zinc/72/03/60/895720360.db2.gz DOXDBLQTEWIABE-UHFFFAOYSA-N 1 0 265.309 1.780 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140465852 896219152 /nfs/dbraw/zinc/21/91/52/896219152.db2.gz SEOFYIGNXJUTQP-PJXYFTJBSA-N 1 0 281.739 1.896 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c1O ZINC001140742200 898156690 /nfs/dbraw/zinc/15/66/90/898156690.db2.gz JVRWEGUXJBNKTO-GXFFZTMASA-N 1 0 265.353 1.999 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](F)[C@H](O)C3)ccc21 ZINC001141141193 899778981 /nfs/dbraw/zinc/77/89/81/899778981.db2.gz VXQOTAJXWQVYJZ-TZMCWYRMSA-N 1 0 280.343 1.420 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@@]1(C)O ZINC001141156365 899822319 /nfs/dbraw/zinc/82/23/19/899822319.db2.gz KUPXNIQOZKLBFP-IINYFYTJSA-N 1 0 251.326 1.691 20 10 CDCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141155923 899822638 /nfs/dbraw/zinc/82/26/38/899822638.db2.gz AUVNKNSPZKWZBP-WDEREUQCSA-N 1 0 251.326 1.691 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c(Cl)c1 ZINC001236030854 914596554 /nfs/dbraw/zinc/59/65/54/914596554.db2.gz WYCGAMHOUYUVOZ-FZMZJTMJSA-N 1 0 265.788 1.939 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC001236284187 914853862 /nfs/dbraw/zinc/85/38/62/914853862.db2.gz BAUHWZQBTLGMNL-ONGXEEELSA-N 1 0 268.744 1.458 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001172597933 911762764 /nfs/dbraw/zinc/76/27/64/911762764.db2.gz PCHWSNNSUCQSPN-NEPJUHHUSA-N 1 0 279.336 1.919 20 10 CDCDRO COc1cc(CN2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(O)c1O ZINC001206167345 911791202 /nfs/dbraw/zinc/79/12/02/911791202.db2.gz YKPSKATYCXDNGM-WDEREUQCSA-N 1 0 284.331 1.368 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001236579921 915689216 /nfs/dbraw/zinc/68/92/16/915689216.db2.gz XVOZCSRHAYJJNL-CHWSQXEVSA-N 1 0 277.412 1.943 20 10 CDCDRO CC(C)(C)[NH+]1CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001179691453 915931118 /nfs/dbraw/zinc/93/11/18/915931118.db2.gz PYSVPYNFESRFME-FNORWQNLSA-N 1 0 290.363 1.710 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)OC)cc1C ZINC001124599684 936324512 /nfs/dbraw/zinc/32/45/12/936324512.db2.gz DBYVJGDFTGNOBR-ZDUSSCGKSA-N 1 0 294.395 1.634 20 10 CDCDRO CCC(=O)N(C)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278159 916582231 /nfs/dbraw/zinc/58/22/31/916582231.db2.gz VVPPCONFCNOKJH-UHFFFAOYSA-N 1 0 292.379 1.931 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c(OC)c1 ZINC001237675715 917542174 /nfs/dbraw/zinc/54/21/74/917542174.db2.gz FHMZQOJJZBHAIH-OAHLLOKOSA-N 1 0 281.352 1.756 20 10 CDCDRO Cc1c(C[N@H+](C)C[C@H](O)CO)c2ccccc2n1C ZINC001138254478 936502620 /nfs/dbraw/zinc/50/26/20/936502620.db2.gz YWCNWGMSMXBONA-LBPRGKRZSA-N 1 0 262.353 1.272 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@](F)(CO)C3)ccc21 ZINC001138354785 936525298 /nfs/dbraw/zinc/52/52/98/936525298.db2.gz UVNXMVSJENKDGH-INIZCTEOSA-N 1 0 278.371 1.975 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccncn1 ZINC001138500307 936543231 /nfs/dbraw/zinc/54/32/31/936543231.db2.gz WRMWAHVYXGMOCC-UHFFFAOYSA-N 1 0 298.390 1.945 20 10 CDCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140063700 936675419 /nfs/dbraw/zinc/67/54/19/936675419.db2.gz WHHXPJNSKPUUET-NHYWBVRUSA-N 1 0 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576571063 /nfs/dbraw/zinc/57/10/63/576571063.db2.gz IHLOAIAQAVVNFN-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)CCN2CCOCC2)cc1 ZINC000741754597 576571352 /nfs/dbraw/zinc/57/13/52/576571352.db2.gz SPBQHWUPRUKSQG-UHFFFAOYSA-N 1 0 291.439 1.907 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(F)ccc1O ZINC000756641707 576998265 /nfs/dbraw/zinc/99/82/65/576998265.db2.gz YGWKQGXTJMFTKQ-SECBINFHSA-N 1 0 289.310 1.876 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750816965 577007821 /nfs/dbraw/zinc/00/78/21/577007821.db2.gz FVKSLYGDLMPPFW-RYUDHWBXSA-N 1 0 278.327 1.385 20 10 CDCDRO COc1cccc(O)c1C[NH2+]Cc1cc(C)ncn1 ZINC000756991839 577018838 /nfs/dbraw/zinc/01/88/38/577018838.db2.gz YYHPAUSUWHYTIT-UHFFFAOYSA-N 1 0 259.309 1.789 20 10 CDCDRO COc1ccc(C[NH2+]CCC[C@H](C)CO)c(O)c1OC ZINC000893266059 617502741 /nfs/dbraw/zinc/50/27/41/617502741.db2.gz YJQSCJNXTVOJQY-NSHDSACASA-N 1 0 283.368 1.908 20 10 CDCDRO C[C@H](NC(=O)NC1CC[NH2+]CC1)c1ccccc1O ZINC000891960836 617892278 /nfs/dbraw/zinc/89/22/78/617892278.db2.gz BEEDMOBKBGFYJN-JTQLQIEISA-N 1 0 263.341 1.504 20 10 CDCDRO COc1ccc(C[NH2+]CCOCC2CC2)c(O)c1OC ZINC000892946886 617954886 /nfs/dbraw/zinc/95/48/86/617954886.db2.gz RSEGMFXOYNHMIT-UHFFFAOYSA-N 1 0 281.352 1.926 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2O)C[C@@H]1C ZINC000891991782 617963793 /nfs/dbraw/zinc/96/37/93/617963793.db2.gz HTTBXHGDQMDLIU-LBPRGKRZSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(O)c1OC ZINC000893888652 618158757 /nfs/dbraw/zinc/15/87/57/618158757.db2.gz LSKDXEBGZAGBDU-XHDPSFHLSA-N 1 0 279.336 1.224 20 10 CDCDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893102069 618170206 /nfs/dbraw/zinc/17/02/06/618170206.db2.gz JRPXAXGNPKSTLB-OAHLLOKOSA-N 1 0 299.367 1.287 20 10 CDCDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000840999993 620782906 /nfs/dbraw/zinc/78/29/06/620782906.db2.gz VDQLFHJBRGEHPP-UHFFFAOYSA-N 1 0 292.383 1.055 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(O)c1OC ZINC000893959564 618224890 /nfs/dbraw/zinc/22/48/90/618224890.db2.gz KWQKGFJRIWVFIQ-CMPLNLGQSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c(O)c1OC ZINC000894043471 618288069 /nfs/dbraw/zinc/28/80/69/618288069.db2.gz RLTMRTMRUWPLQK-JQWIXIFHSA-N 1 0 281.352 1.924 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CCNC(=O)C(C)C)c1O ZINC000894095723 618385707 /nfs/dbraw/zinc/38/57/07/618385707.db2.gz RLKFLRWGUWTLQJ-UHFFFAOYSA-N 1 0 294.395 1.913 20 10 CDCDRO CC[C@H](CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894288938 618494600 /nfs/dbraw/zinc/49/46/00/618494600.db2.gz GCIOCGWWBKLJPT-GFCCVEGCSA-N 1 0 253.342 1.960 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841065610 618680258 /nfs/dbraw/zinc/68/02/58/618680258.db2.gz KEQWTUJOLBOOCR-CYBMUJFWSA-N 1 0 295.402 1.750 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC[C@H](C)[S@](C)=O)c1O ZINC000894409695 618868447 /nfs/dbraw/zinc/86/84/47/618868447.db2.gz DSLQQCPTXQSQPR-WLRWDXFRSA-N 1 0 285.409 1.956 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1cc(C)cc(OC)c1O)OC ZINC000894435017 618885967 /nfs/dbraw/zinc/88/59/67/618885967.db2.gz ZOLQJTLTUIOUCT-GFCCVEGCSA-N 1 0 269.341 1.460 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](O)C2CC2)c(O)c1OC ZINC000894458468 618896039 /nfs/dbraw/zinc/89/60/39/618896039.db2.gz SAOFBSHETWNSAQ-NSHDSACASA-N 1 0 267.325 1.270 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895545823 619722839 /nfs/dbraw/zinc/72/28/39/619722839.db2.gz PIKDFKUXZRVHMT-UHFFFAOYSA-N 1 0 292.339 1.311 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cccc(OC)c1O ZINC000897709605 621083267 /nfs/dbraw/zinc/08/32/67/621083267.db2.gz GOCQWOVLPLDFND-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000035134235 621312058 /nfs/dbraw/zinc/31/20/58/621312058.db2.gz WBMGHLBKJCBSJS-UHFFFAOYSA-N 1 0 275.396 1.903 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@@H](O)C2CC2)c(O)c1OC ZINC000898192514 621388149 /nfs/dbraw/zinc/38/81/49/621388149.db2.gz GCEWMOTWNKIOQW-GFCCVEGCSA-N 1 0 281.352 1.660 20 10 CDCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)C[NH+](C)C ZINC001604183828 1163119145 /nfs/dbraw/zinc/11/91/45/1163119145.db2.gz FUEQVVXKSCSZKL-QWRGUYRKSA-N 1 0 280.368 1.939 20 10 CDCDRO C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cc(C(=O)[O-])ccc1O ZINC001604342455 1163158931 /nfs/dbraw/zinc/15/89/31/1163158931.db2.gz WJAFWYFJRFFVHC-DTWKUNHWSA-N 1 0 252.314 1.478 20 10 CDCDRO COc1cc(C)cc(CN[C@H](CC[NH3+])C(F)F)c1O ZINC001579144273 1172105488 /nfs/dbraw/zinc/10/54/88/1172105488.db2.gz BDOVVNIUOKDFEV-SNVBAGLBSA-N 1 0 274.311 1.781 20 10 CDCDRO Oc1cccc(F)c1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001593539582 1174110372 /nfs/dbraw/zinc/11/03/72/1174110372.db2.gz ATGSZMPJWOPWIY-UHFFFAOYSA-N 1 0 286.270 1.140 20 10 CDCDRO C[NH+](C)CCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000133867704 1175809553 /nfs/dbraw/zinc/80/95/53/1175809553.db2.gz GUHDSNJMRNYFOY-UHFFFAOYSA-N 1 0 297.830 1.725 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(F)ccc1O ZINC000702652933 758867543 /nfs/dbraw/zinc/86/75/43/758867543.db2.gz NRBAWTWARJNHQE-QMTHXVAHSA-N 1 0 268.332 1.249 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000305770454 758883785 /nfs/dbraw/zinc/88/37/85/758883785.db2.gz JSUNXDCLTRZKEW-NSHDSACASA-N 1 0 251.326 1.605 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1C ZINC000840962924 758906308 /nfs/dbraw/zinc/90/63/08/758906308.db2.gz OFAIIKXXJPZSNS-CABCVRRESA-N 1 0 279.380 1.881 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1C ZINC000883379605 770846544 /nfs/dbraw/zinc/84/65/44/770846544.db2.gz IBKZESZNYRFUBY-JOCQHMNTSA-N 1 0 283.393 1.674 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1O ZINC000817412059 768841996 /nfs/dbraw/zinc/84/19/96/768841996.db2.gz BXLFPCPAWFDCKW-ZDUSSCGKSA-N 1 0 295.379 1.763 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(CO)(OC)CC2)c1O ZINC000775205221 768852163 /nfs/dbraw/zinc/85/21/63/768852163.db2.gz QYOVTFKTSNEJAY-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c(O)c1C ZINC000872141358 768879954 /nfs/dbraw/zinc/87/99/54/768879954.db2.gz SVIOGQSSRASIGK-MRVWCRGKSA-N 1 0 265.353 1.809 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc2ccccc2c1O ZINC000866420887 768888424 /nfs/dbraw/zinc/88/84/24/768888424.db2.gz SOIWSMMHDIJNLE-KMUNFCNLSA-N 1 0 273.332 1.956 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c1 ZINC000838913649 768944659 /nfs/dbraw/zinc/94/46/59/768944659.db2.gz WBGZLFZJNVAYCM-WDEREUQCSA-N 1 0 278.352 1.578 20 10 CDCDRO CCCN1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000827519401 768996130 /nfs/dbraw/zinc/99/61/30/768996130.db2.gz MKLWBEXELAUNOA-ZDUSSCGKSA-N 1 0 294.395 1.983 20 10 CDCDRO CN(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786076 769048760 /nfs/dbraw/zinc/04/87/60/769048760.db2.gz TTYDHCLUZABTDJ-LBPRGKRZSA-N 1 0 250.346 1.024 20 10 CDCDRO NC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841029659 769152836 /nfs/dbraw/zinc/15/28/36/769152836.db2.gz XYTFKQIIKCBVGK-INIZCTEOSA-N 1 0 275.396 1.350 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000049480524 769255404 /nfs/dbraw/zinc/25/54/04/769255404.db2.gz VOLAUPJTYFWZCF-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1O ZINC000831724073 769271415 /nfs/dbraw/zinc/27/14/15/769271415.db2.gz STFJJZHNOKXBFR-ABAIWWIYSA-N 1 0 292.354 1.870 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCN([C@@H]3CCOC3)CC2)cc1C ZINC000853550838 769300160 /nfs/dbraw/zinc/30/01/60/769300160.db2.gz MPWAVSPGDFRBLD-MRXNPFEDSA-N 1 0 290.407 1.916 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)NC(N)=O)c1 ZINC000775365593 769316764 /nfs/dbraw/zinc/31/67/64/769316764.db2.gz WTDGWBIMMBPASK-SECBINFHSA-N 1 0 295.339 1.027 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000231606398 769333281 /nfs/dbraw/zinc/33/32/81/769333281.db2.gz NKXVHXUILGCAAO-NSHDSACASA-N 1 0 259.733 1.533 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000839164908 769359785 /nfs/dbraw/zinc/35/97/85/769359785.db2.gz BVCMKWGZEPXWQJ-HOCLYGCPSA-N 1 0 278.396 1.318 20 10 CDCDRO COC(=O)CN(C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876587796 769402214 /nfs/dbraw/zinc/40/22/14/769402214.db2.gz QSZKCENNPZRLNB-UHFFFAOYSA-N 1 0 292.379 1.253 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000841026875 769553995 /nfs/dbraw/zinc/55/39/95/769553995.db2.gz UHOIWPCXSSDLTP-RISCZKNCSA-N 1 0 262.353 1.585 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000179579853 769586659 /nfs/dbraw/zinc/58/66/59/769586659.db2.gz OPKZBYXKHWMOLT-LLVKDONJSA-N 1 0 264.325 1.241 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCN2CCCC2=O)cc1F ZINC000858183269 769772231 /nfs/dbraw/zinc/77/22/31/769772231.db2.gz ACFJHCCFZLSJBH-UHFFFAOYSA-N 1 0 297.349 1.743 20 10 CDCDRO CC(C)(C[NH2+]Cc1ccccc1O)S(C)(=O)=O ZINC000093523155 769775228 /nfs/dbraw/zinc/77/52/28/769775228.db2.gz FWNMEASPJJRCLB-UHFFFAOYSA-N 1 0 257.355 1.305 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841850568 769824162 /nfs/dbraw/zinc/82/41/62/769824162.db2.gz WWWJJAKVUHIHKJ-SECBINFHSA-N 1 0 290.392 1.393 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1OC ZINC000817412322 769828835 /nfs/dbraw/zinc/82/88/35/769828835.db2.gz IUWLXOPJHSPGMB-NEPJUHHUSA-N 1 0 295.379 1.860 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1F ZINC000782388592 769849391 /nfs/dbraw/zinc/84/93/91/769849391.db2.gz ZTPDOMNTTQQCGB-HNNXBMFYSA-N 1 0 296.386 1.769 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(F)F)C2)cc1C ZINC001018386044 769903260 /nfs/dbraw/zinc/90/32/60/769903260.db2.gz RMCDDDCCHJVBPX-LBPRGKRZSA-N 1 0 298.333 1.959 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(O)c1 ZINC000877626639 769905190 /nfs/dbraw/zinc/90/51/90/769905190.db2.gz XPUVVHXDODGTMS-ZDUSSCGKSA-N 1 0 276.336 1.727 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000788971988 769994617 /nfs/dbraw/zinc/99/46/17/769994617.db2.gz STJDNAGWNGKDCW-WDEREUQCSA-N 1 0 251.326 1.651 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850287118 770059086 /nfs/dbraw/zinc/05/90/86/770059086.db2.gz SVSZXDINVIZVBK-LBPRGKRZSA-N 1 0 297.395 1.795 20 10 CDCDRO COC[C@@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400352 770085427 /nfs/dbraw/zinc/08/54/27/770085427.db2.gz ANCDDVCJWXNTSW-AWEZNQCLSA-N 1 0 282.384 1.071 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CC)CCOCCO)cc1 ZINC000815109379 770345522 /nfs/dbraw/zinc/34/55/22/770345522.db2.gz AOAPKLGAHWSENM-UHFFFAOYSA-N 1 0 280.412 1.974 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCN2C)cc1F ZINC000922574882 770397045 /nfs/dbraw/zinc/39/70/45/770397045.db2.gz RDYRMYRWMIOMKH-LLVKDONJSA-N 1 0 269.339 1.825 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C[C@H](C)O)C2CC2)c1 ZINC000848929690 770713856 /nfs/dbraw/zinc/71/38/56/770713856.db2.gz YTAKFLONSMMLGX-JTQLQIEISA-N 1 0 251.326 1.746 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCN2C)c1 ZINC000712537520 770810605 /nfs/dbraw/zinc/81/06/05/770810605.db2.gz ZRHPNNVVZXMBRC-WDEREUQCSA-N 1 0 250.342 1.756 20 10 CDCDRO COc1cccc(CNC(=O)C2([NH+](C)C)CCC2)c1O ZINC000155681100 770821452 /nfs/dbraw/zinc/82/14/52/770821452.db2.gz JCVLYBVWUUVZKR-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000824477765 770961255 /nfs/dbraw/zinc/96/12/55/770961255.db2.gz FHQLFXZFDAPGGK-SNVBAGLBSA-N 1 0 289.784 1.631 20 10 CDCDRO COCC[NH2+]CCNCc1cc(Cl)ccc1O ZINC000841049064 771090985 /nfs/dbraw/zinc/09/09/85/771090985.db2.gz YJJPBANETXFXRT-UHFFFAOYSA-N 1 0 258.749 1.371 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1 ZINC000825316837 771276008 /nfs/dbraw/zinc/27/60/08/771276008.db2.gz VPEWMLNPJDJEGN-CMPLNLGQSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cccc(CNC(=O)N[C@H](C[NH3+])CC(C)C)c1O ZINC000841951005 771288804 /nfs/dbraw/zinc/28/88/04/771288804.db2.gz KXMZOKXBJHREDB-LBPRGKRZSA-N 1 0 295.383 1.573 20 10 CDCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)[C@H](C)O ZINC000930351310 771314029 /nfs/dbraw/zinc/31/40/29/771314029.db2.gz OKICJDULLNWDKS-SWLSCSKDSA-N 1 0 267.369 1.736 20 10 CDCDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000308640158 771333973 /nfs/dbraw/zinc/33/39/73/771333973.db2.gz QMXSCZZMGWQCQK-UHFFFAOYSA-N 1 0 290.407 1.822 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1F ZINC000829039259 771342423 /nfs/dbraw/zinc/34/24/23/771342423.db2.gz XIODPAGXLQQSSL-YPMHNXCESA-N 1 0 279.359 1.635 20 10 CDCDRO CN1CC[NH+]=C1NCc1ccc2c(c1)CCCN2C ZINC000848998954 771358141 /nfs/dbraw/zinc/35/81/41/771358141.db2.gz LKMJVFMFPZLSFO-UHFFFAOYSA-N 1 0 258.369 1.460 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000877533351 771397624 /nfs/dbraw/zinc/39/76/24/771397624.db2.gz NABVLIPZESCOIR-WDEREUQCSA-N 1 0 278.352 1.720 20 10 CDCDRO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817936584 771533842 /nfs/dbraw/zinc/53/38/42/771533842.db2.gz PNDFZVCPLAIEOX-LBPRGKRZSA-N 1 0 281.375 1.477 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](C)[NH3+])C2)cc1 ZINC000831752825 771551721 /nfs/dbraw/zinc/55/17/21/771551721.db2.gz FLPQDNGVKYDWSK-STQMWFEESA-N 1 0 291.395 1.375 20 10 CDCDRO COc1ccc(CNC(=O)CC2([NH3+])CCC2)c(O)c1 ZINC000832178225 771570475 /nfs/dbraw/zinc/57/04/75/771570475.db2.gz ONUUCIQCPGDEJP-UHFFFAOYSA-N 1 0 264.325 1.289 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(NC(=O)NC)CC2)c1O ZINC000848918343 771596889 /nfs/dbraw/zinc/59/68/89/771596889.db2.gz WQORLHIXBXVJAT-UHFFFAOYSA-N 1 0 291.395 1.848 20 10 CDCDRO Cc1cccc(C[NH2+]C(C)(C)CS(C)(=O)=O)c1O ZINC000391472077 771696059 /nfs/dbraw/zinc/69/60/59/771696059.db2.gz TWTQJZXRQFVKPA-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO COC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H]1CCCOC1 ZINC000886359605 771705650 /nfs/dbraw/zinc/70/56/50/771705650.db2.gz GMHBOXIVCOTMKL-KBPBESRZSA-N 1 0 295.379 1.932 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000817977341 771722155 /nfs/dbraw/zinc/72/21/55/771722155.db2.gz HXZXKQCLGWIMQP-XFOOOJQKSA-N 1 0 276.336 1.047 20 10 CDCDRO CCCN1C[C@@H](C[NH2+]Cc2cccc(OC)c2O)CC1=O ZINC000817411032 771816443 /nfs/dbraw/zinc/81/64/43/771816443.db2.gz LLAYRPDVRXBJAS-GFCCVEGCSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000846166568 771824364 /nfs/dbraw/zinc/82/43/64/771824364.db2.gz ZLBIPFJYUNHNGO-ABAIWWIYSA-N 1 0 280.368 1.118 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@]2(CO)CCOC2)cc1Cl ZINC000825509596 771838007 /nfs/dbraw/zinc/83/80/07/771838007.db2.gz NYSZAJSAJFAYSS-CYBMUJFWSA-N 1 0 271.744 1.595 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000873828760 771840581 /nfs/dbraw/zinc/84/05/81/771840581.db2.gz FMJQEUWCEBVNOG-UHFFFAOYSA-N 1 0 275.396 1.711 20 10 CDCDRO [NH3+]CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841922247 771853422 /nfs/dbraw/zinc/85/34/22/771853422.db2.gz ZDEDMFHIOXDOFH-CYBMUJFWSA-N 1 0 293.367 1.042 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877028774 771870392 /nfs/dbraw/zinc/87/03/92/771870392.db2.gz DCYGBVSGFFTWON-NSHDSACASA-N 1 0 271.382 1.613 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000829764649 771890104 /nfs/dbraw/zinc/89/01/04/771890104.db2.gz RNTVVCHOALQBHN-NWDGAFQWSA-N 1 0 263.385 1.661 20 10 CDCDRO [NH3+]CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842471276 771908049 /nfs/dbraw/zinc/90/80/49/771908049.db2.gz SQLPJKPZFCKURT-CYBMUJFWSA-N 1 0 250.342 1.332 20 10 CDCDRO CN(C)c1ccc(CN2CCC([NH2+]CCO)CC2)cc1F ZINC000873216172 771974450 /nfs/dbraw/zinc/97/44/50/771974450.db2.gz JIAZDRGYKGLACI-UHFFFAOYSA-N 1 0 295.402 1.438 20 10 CDCDRO O=C(c1c(F)ccc(O)c1O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000789973533 771997805 /nfs/dbraw/zinc/99/78/05/771997805.db2.gz HPFPHJHNFCSQFP-JTQLQIEISA-N 1 0 294.326 1.547 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCNC(=O)CC2)c1O ZINC000396770305 772023415 /nfs/dbraw/zinc/02/34/15/772023415.db2.gz SCSKNDUANOLSHF-NSHDSACASA-N 1 0 264.325 1.159 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000872257983 772063849 /nfs/dbraw/zinc/06/38/49/772063849.db2.gz OPBAUAYIMQVDQC-LSDHHAIUSA-N 1 0 275.396 1.835 20 10 CDCDRO OC[C@@]1([C@H]([NH2+]Cc2cc(F)ccc2O)C2CC2)CCCO1 ZINC000816666300 772066686 /nfs/dbraw/zinc/06/66/86/772066686.db2.gz JOUHYNFRHLETKZ-HZPDHXFCSA-N 1 0 295.354 1.941 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CCS(C)(=O)=O ZINC000840936332 772081577 /nfs/dbraw/zinc/08/15/77/772081577.db2.gz CPPPYXQYDXKSGO-ZDUSSCGKSA-N 1 0 298.452 1.974 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCO[C@@H](C)C1 ZINC000840932844 772099351 /nfs/dbraw/zinc/09/93/51/772099351.db2.gz VBQFKCOIFPBHNX-HNNXBMFYSA-N 1 0 291.439 1.871 20 10 CDCDRO O=C(NCc1ccc(O)c(O)c1)c1ccc2c[nH+]cn2c1 ZINC000786408170 772105289 /nfs/dbraw/zinc/10/52/89/772105289.db2.gz FSDATAJIRGSKSO-UHFFFAOYSA-N 1 0 283.287 1.676 20 10 CDCDRO c1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000856766852 772192663 /nfs/dbraw/zinc/19/26/63/772192663.db2.gz DGGFMTKYWJHNIA-UHFFFAOYSA-N 1 0 284.363 1.603 20 10 CDCDRO Oc1cccc(Br)c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000858196451 772220871 /nfs/dbraw/zinc/22/08/71/772220871.db2.gz PBBUYIUGTWZTJF-ZKCHVHJHSA-N 1 0 272.142 1.768 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC2(N(C)C)CC2)cc1OC ZINC000841889838 772299711 /nfs/dbraw/zinc/29/97/11/772299711.db2.gz GLOKOTQUMLZFAY-UHFFFAOYSA-N 1 0 280.368 1.593 20 10 CDCDRO CC[C@@]1(O)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000775090513 772362336 /nfs/dbraw/zinc/36/23/36/772362336.db2.gz RMLBIGRLWOEUQK-CQSZACIVSA-N 1 0 296.323 1.656 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)S(C)(=O)=O ZINC000819096814 772373221 /nfs/dbraw/zinc/37/32/21/772373221.db2.gz VDENWXLXHMZSOZ-ZDUSSCGKSA-N 1 0 294.420 1.586 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(O)(CO)CC2)c1O ZINC000827146567 772395913 /nfs/dbraw/zinc/39/59/13/772395913.db2.gz GKHBDVLXGRHFRV-UHFFFAOYSA-N 1 0 281.352 1.110 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852495196 772405457 /nfs/dbraw/zinc/40/54/57/772405457.db2.gz KFOAVXCATLQKMQ-GOEBONIOSA-N 1 0 287.407 1.853 20 10 CDCDRO CC1(C)CC[N@H+](CCNC(=O)c2cccc(O)c2O)C1 ZINC000890071816 772491628 /nfs/dbraw/zinc/49/16/28/772491628.db2.gz CKSOHDYCRDLCCL-UHFFFAOYSA-N 1 0 278.352 1.560 20 10 CDCDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000397964290 772546830 /nfs/dbraw/zinc/54/68/30/772546830.db2.gz JJBFMYITOIOIAQ-SCZZXKLOSA-N 1 0 267.350 1.962 20 10 CDCDRO CCc1cccc(C[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000848919375 772571001 /nfs/dbraw/zinc/57/10/01/772571001.db2.gz XDROTGOFVVAEGV-INIZCTEOSA-N 1 0 279.380 1.976 20 10 CDCDRO COc1cccc(O)c1C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000776497721 772587739 /nfs/dbraw/zinc/58/77/39/772587739.db2.gz XSYQPBOKRVGLKL-UHFFFAOYSA-N 1 0 288.351 1.547 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)N(C)Cc1ccccc1O ZINC000842009260 772685527 /nfs/dbraw/zinc/68/55/27/772685527.db2.gz ZHJOYOADQHGWFP-LLVKDONJSA-N 1 0 251.330 1.271 20 10 CDCDRO CC(C)(O)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775368970 772692022 /nfs/dbraw/zinc/69/20/22/772692022.db2.gz IDVAUEZRLGKSOU-UHFFFAOYSA-N 1 0 296.386 1.913 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000824576531 772715032 /nfs/dbraw/zinc/71/50/32/772715032.db2.gz NFHWBRGFHKKOQB-ZDUSSCGKSA-N 1 0 278.352 1.973 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882724 772728386 /nfs/dbraw/zinc/72/83/86/772728386.db2.gz NJCBQVDGNIZCFT-VXGBXAGGSA-N 1 0 278.400 1.850 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](OC)C1CC1 ZINC000815152928 772749318 /nfs/dbraw/zinc/74/93/18/772749318.db2.gz AOPGICJLAHFFBM-CQSZACIVSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000305770453 772806703 /nfs/dbraw/zinc/80/67/03/772806703.db2.gz JSUNXDCLTRZKEW-LLVKDONJSA-N 1 0 251.326 1.605 20 10 CDCDRO C[C@@H](NCC[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817934944 772815320 /nfs/dbraw/zinc/81/53/20/772815320.db2.gz RERXVCVPWDCOJN-LLVKDONJSA-N 1 0 283.803 1.786 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000092134179 772848865 /nfs/dbraw/zinc/84/88/65/772848865.db2.gz KVUITZCDJRJOOE-LBPRGKRZSA-N 1 0 263.385 1.567 20 10 CDCDRO Nc1ccc(CC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000832173227 772880484 /nfs/dbraw/zinc/88/04/84/772880484.db2.gz OOONCNFEOILSKD-UHFFFAOYSA-N 1 0 287.407 1.802 20 10 CDCDRO CCOCCNC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182414195 772921262 /nfs/dbraw/zinc/92/12/62/772921262.db2.gz CSWNYLQKEGSMEU-NSHDSACASA-N 1 0 296.367 1.204 20 10 CDCDRO C[C@H](NC(=O)NCC[NH+]1CCC1)c1ccc(N(C)C)cc1 ZINC000776249677 772942477 /nfs/dbraw/zinc/94/24/77/772942477.db2.gz QQLCWKJYEMPKBM-ZDUSSCGKSA-N 1 0 290.411 1.819 20 10 CDCDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(O)c1O ZINC000855899635 772949839 /nfs/dbraw/zinc/94/98/39/772949839.db2.gz QRAJYYINULEFKQ-LBPRGKRZSA-N 1 0 292.379 1.948 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCCC2=O)cc1F ZINC000846076999 773084511 /nfs/dbraw/zinc/08/45/11/773084511.db2.gz JXGSJCVFIMUBJN-UHFFFAOYSA-N 1 0 279.359 1.604 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c(O)c1C ZINC000858547664 773087870 /nfs/dbraw/zinc/08/78/70/773087870.db2.gz IDIZMRRPZUUKSW-UONOGXRCSA-N 1 0 278.396 1.726 20 10 CDCDRO C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC000841956131 773091403 /nfs/dbraw/zinc/09/14/03/773091403.db2.gz WFSOBLHSAMTRDU-JSGCOSHPSA-N 1 0 290.411 1.438 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](C)C(=O)NCCF)c(O)c1 ZINC000800291486 773093423 /nfs/dbraw/zinc/09/34/23/773093423.db2.gz AUYKJNOGAHBITF-SNVBAGLBSA-N 1 0 284.331 1.355 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1OC ZINC000190045957 773098278 /nfs/dbraw/zinc/09/82/78/773098278.db2.gz MHJGXWXKKDRSNZ-JQWIXIFHSA-N 1 0 281.352 1.612 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000817966015 773151323 /nfs/dbraw/zinc/15/13/23/773151323.db2.gz ZEIGGCUPTBHOTR-TVQRCGJNSA-N 1 0 278.352 1.567 20 10 CDCDRO CCN(CC)C(=O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311732709 773157569 /nfs/dbraw/zinc/15/75/69/773157569.db2.gz RISUDMVUOYGPBJ-LBPRGKRZSA-N 1 0 262.353 1.838 20 10 CDCDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1c(C)cccc1O)CC2 ZINC000877003027 773287216 /nfs/dbraw/zinc/28/72/16/773287216.db2.gz JHOYMJVYQYSOCI-GFCCVEGCSA-N 1 0 272.352 1.705 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000817958404 773321608 /nfs/dbraw/zinc/32/16/08/773321608.db2.gz JMQJQNYXACZMDN-GWCFXTLKSA-N 1 0 280.368 1.813 20 10 CDCDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649530 773337979 /nfs/dbraw/zinc/33/79/79/773337979.db2.gz VOWBOJSYVOWSCJ-YNEHKIRRSA-N 1 0 283.368 1.455 20 10 CDCDRO C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000775402382 773544422 /nfs/dbraw/zinc/54/44/22/773544422.db2.gz DXJPZPDBNMRJFK-RYUDHWBXSA-N 1 0 263.385 1.880 20 10 CDCDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817945033 773569924 /nfs/dbraw/zinc/56/99/24/773569924.db2.gz RVLRFOLBVMWWNU-OCCSQVGLSA-N 1 0 293.386 1.675 20 10 CDCDRO CN(CC[NH+](C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877524358 773573576 /nfs/dbraw/zinc/57/35/76/773573576.db2.gz VRKXVVGLFXKHTB-UHFFFAOYSA-N 1 0 291.439 1.641 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c1O ZINC000709349809 773669838 /nfs/dbraw/zinc/66/98/38/773669838.db2.gz CBZYQRSOKXEAPV-OKILXGFUSA-N 1 0 265.353 1.800 20 10 CDCDRO C[C@@H](CCO)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000846111805 773719607 /nfs/dbraw/zinc/71/96/07/773719607.db2.gz RJXGUGXRTQADDL-VIFPVBQESA-N 1 0 253.298 1.324 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)c1cccc(O)c1O ZINC000126404908 1165998031 /nfs/dbraw/zinc/99/80/31/1165998031.db2.gz YOBHFFCDRUKBTO-UHFFFAOYSA-N 1 0 264.325 1.266 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](CCCO)C(C)C)c(O)c1 ZINC001249201134 912583290 /nfs/dbraw/zinc/58/32/90/912583290.db2.gz GVJSGRTZYJYBLR-UHFFFAOYSA-N 1 0 295.379 1.701 20 10 CDCDRO CCOCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001122972603 914055804 /nfs/dbraw/zinc/05/58/04/914055804.db2.gz DNSHDDAGMYQMCF-UHFFFAOYSA-N 1 0 280.368 1.246 20 10 CDCDRO Cc1cc(O)c(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1Br ZINC001236024768 914567787 /nfs/dbraw/zinc/56/77/87/914567787.db2.gz JFMJWFROVAYYOH-GWCFXTLKSA-N 1 0 297.196 1.996 20 10 CDCDRO Oc1cc(Cl)c(F)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236288196 914876997 /nfs/dbraw/zinc/87/69/97/914876997.db2.gz GNWKZOMTIHYTAF-KWQFWETISA-N 1 0 256.708 1.588 20 10 CDCDRO COC(=O)c1c(CN2CC(C)([NH3+])C2)c2ccccc2n1C ZINC001204985935 905698119 /nfs/dbraw/zinc/69/81/19/905698119.db2.gz NORMNGFSBBSCKL-UHFFFAOYSA-N 1 0 287.363 1.498 20 10 CDCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001272988516 921307329 /nfs/dbraw/zinc/30/73/29/921307329.db2.gz SVFNKKDRQZVFPI-CYBMUJFWSA-N 1 0 290.363 1.446 20 10 CDCDRO O=C(NCc1ccccc1O)[C@H]1CC2CC[NH+]1CC2 ZINC001142633324 909659925 /nfs/dbraw/zinc/65/99/25/909659925.db2.gz NRMODMSTGZKRMA-CYBMUJFWSA-N 1 0 260.337 1.493 20 10 CDCDRO Cc1cc(Br)cc(CN2C[C@H]3C[NH2+]C[C@@H]32)c1O ZINC001236291568 914893903 /nfs/dbraw/zinc/89/39/03/914893903.db2.gz LVDJOJKVNDJYJZ-PWSUYJOCSA-N 1 0 297.196 1.867 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1 ZINC001206404047 916044420 /nfs/dbraw/zinc/04/44/20/916044420.db2.gz KEJAUTOQSQYUQS-STQMWFEESA-N 1 0 251.349 1.624 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2cocn2)cc1C ZINC001124792273 917640972 /nfs/dbraw/zinc/64/09/72/917640972.db2.gz DCXZYUDVRBXNIH-UHFFFAOYSA-N 1 0 289.335 1.511 20 10 CDCDRO C[N@@H+]1CCC[C@H]1CCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182155809 917692166 /nfs/dbraw/zinc/69/21/66/917692166.db2.gz QXPNWGNDDJPKFF-ZDUSSCGKSA-N 1 0 292.379 1.631 20 10 CDCDRO CO[C@H](C)C1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138500009 936543103 /nfs/dbraw/zinc/54/31/03/936543103.db2.gz QZBXJPVIKPSLOQ-CQSZACIVSA-N 1 0 290.407 1.990 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c(O)c1 ZINC001272767098 919205845 /nfs/dbraw/zinc/20/58/45/919205845.db2.gz WUWKOENKZUYUDE-MRXNPFEDSA-N 1 0 274.364 1.755 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001140178439 936684562 /nfs/dbraw/zinc/68/45/62/936684562.db2.gz LQJXMWOZQUJXPA-STQMWFEESA-N 1 0 253.317 1.914 20 10 CDCDRO COCCOC1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184662 936685472 /nfs/dbraw/zinc/68/54/72/936685472.db2.gz DHIBSCIREUPTKC-UHFFFAOYSA-N 1 0 265.353 1.856 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140742660 936748667 /nfs/dbraw/zinc/74/86/67/936748667.db2.gz UEAHBEHPEOYLKE-UHFFFAOYSA-N 1 0 264.369 1.934 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(c3ncncn3)CC2)c(O)c1 ZINC001140954451 936783805 /nfs/dbraw/zinc/78/38/05/936783805.db2.gz SACSNJJVVVODQJ-UHFFFAOYSA-N 1 0 285.351 1.208 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141031259 936795303 /nfs/dbraw/zinc/79/53/03/936795303.db2.gz AJXAZXQIZBNYER-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC001141028856 936794159 /nfs/dbraw/zinc/79/41/59/936794159.db2.gz CKNXQHBEJFQKNM-TXEJJXNPSA-N 1 0 294.395 1.934 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141158880 936822435 /nfs/dbraw/zinc/82/24/35/936822435.db2.gz PWHRZXRHKFUOTR-GFCCVEGCSA-N 1 0 264.325 1.198 20 10 CDCDRO O=C1CCCN1C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161838 936823078 /nfs/dbraw/zinc/82/30/78/936823078.db2.gz ZWKFLWLSPXKIDS-UHFFFAOYSA-N 1 0 290.363 1.685 20 10 CDCDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(N2CCCC2)cc1 ZINC000228723966 936910809 /nfs/dbraw/zinc/91/08/09/936910809.db2.gz CSBMYFRPYHMPSS-QGZVFWFLSA-N 1 0 291.439 1.689 20 10 CDCDRO C[N@@H+]1CCCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142502880 937023801 /nfs/dbraw/zinc/02/38/01/937023801.db2.gz ZCFZSZLIRYLXOF-UHFFFAOYSA-N 1 0 256.296 1.808 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001143104740 937120598 /nfs/dbraw/zinc/12/05/98/937120598.db2.gz YZNZIYGCNKEJSP-DZGCQCFKSA-N 1 0 293.407 1.865 20 10 CDCDRO CC[NH+]1CCC(NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001169230323 927832767 /nfs/dbraw/zinc/83/27/67/927832767.db2.gz YBTXOJSAPZRXFF-UHFFFAOYSA-N 1 0 278.352 1.354 20 10 CDCDRO C[NH+](C)C1(C(=O)NCCc2ccc(O)c(O)c2)CCCC1 ZINC001150488382 937234176 /nfs/dbraw/zinc/23/41/76/937234176.db2.gz QRXKWHSTBSTAKX-UHFFFAOYSA-N 1 0 292.379 1.631 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2COCCO2)c1O ZINC000691481351 928997810 /nfs/dbraw/zinc/99/78/10/928997810.db2.gz GOVDKEKXONFATP-CYBMUJFWSA-N 1 0 251.326 1.460 20 10 CDCDRO COCC(=O)N[C@H](C)c1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170059865 929246627 /nfs/dbraw/zinc/24/66/27/929246627.db2.gz WDQXDBJUDOZZMB-GFCCVEGCSA-N 1 0 293.411 1.684 20 10 CDCDRO Oc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001275267125 931718285 /nfs/dbraw/zinc/71/82/85/931718285.db2.gz KHIUVLUFJXKHSD-IYBDPMFKSA-N 1 0 298.390 1.964 20 10 CDCDRO CO[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499491 931858725 /nfs/dbraw/zinc/85/87/25/931858725.db2.gz GVZAXGIXMKURBF-SNVBAGLBSA-N 1 0 253.298 1.414 20 10 CDCDRO CC[NH+](CC)CCN(C)Cc1c(O)cc(O)cc1O ZINC001144500578 931860021 /nfs/dbraw/zinc/86/00/21/931860021.db2.gz VJXGFVQWZYWVOY-UHFFFAOYSA-N 1 0 268.357 1.577 20 10 CDCDRO Oc1cc(O)c(CN2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC001144500369 931860280 /nfs/dbraw/zinc/86/02/80/931860280.db2.gz SRCZOYVKOPBBOP-UHFFFAOYSA-N 1 0 292.379 1.864 20 10 CDCDRO CCN1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@H](C)C1 ZINC001144520461 931872179 /nfs/dbraw/zinc/87/21/79/931872179.db2.gz RMPXJYIJONSQPN-SNVBAGLBSA-N 1 0 266.341 1.329 20 10 CDCDRO CCCO[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509070 931874537 /nfs/dbraw/zinc/87/45/37/931874537.db2.gz KAPFWJNCFIIRFK-NSHDSACASA-N 1 0 267.325 1.804 20 10 CDCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514517 931876870 /nfs/dbraw/zinc/87/68/70/931876870.db2.gz IWVZCGLBKIPZSZ-HNNXBMFYSA-N 1 0 295.335 1.579 20 10 CDCDRO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001144514694 931877093 /nfs/dbraw/zinc/87/70/93/931877093.db2.gz OYQGFKWWCDTUJS-GWCFXTLKSA-N 1 0 278.352 1.329 20 10 CDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514541 931877469 /nfs/dbraw/zinc/87/74/69/931877469.db2.gz KDTHZUJOAICDTQ-IUCAKERBSA-N 1 0 253.298 1.149 20 10 CDCDRO CC[N@H+](CCn1ccnc1)Cc1c(O)cc(O)cc1O ZINC001144516008 931880257 /nfs/dbraw/zinc/88/02/57/931880257.db2.gz MTODXCYIKXRTKA-UHFFFAOYSA-N 1 0 277.324 1.522 20 10 CDCDRO CCN1C[C@H](C[NH2+][C@H](C)c2cccc(OC)c2O)CC1=O ZINC000846208331 931988382 /nfs/dbraw/zinc/98/83/82/931988382.db2.gz IGPFCDDAPBODAV-NEPJUHHUSA-N 1 0 292.379 1.920 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC001118241752 937607179 /nfs/dbraw/zinc/60/71/79/937607179.db2.gz MWGJFGIHCRJJMY-HNNXBMFYSA-N 1 0 291.395 1.391 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001119005744 937687806 /nfs/dbraw/zinc/68/78/06/937687806.db2.gz PWTVEIFMALIDNP-CWRNSKLLSA-N 1 0 285.391 1.511 20 10 CDCDRO CN(C)c1ccc(CN2CCC([NH2+]CCO)CC2)cc1 ZINC000686274912 934030503 /nfs/dbraw/zinc/03/05/03/934030503.db2.gz JMWZEQGGBHBWNJ-UHFFFAOYSA-N 1 0 277.412 1.299 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC001120371069 937796459 /nfs/dbraw/zinc/79/64/59/937796459.db2.gz OOUNCYJAQLNKGS-CABCVRRESA-N 1 0 262.353 1.649 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001158198197 938593880 /nfs/dbraw/zinc/59/38/80/938593880.db2.gz BAXWIVHLELWLHF-AUPUMLSVSA-N 1 0 285.391 1.729 20 10 CDCDRO Cc1nc(N(C)C)cc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001158994521 938685836 /nfs/dbraw/zinc/68/58/36/938685836.db2.gz NIIIIKLILZLVBA-UHFFFAOYSA-N 1 0 274.324 1.874 20 10 CDCDRO COc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001203596564 939695271 /nfs/dbraw/zinc/69/52/71/939695271.db2.gz IYHBOVIBEUODAM-TXEJJXNPSA-N 1 0 261.321 1.812 20 10 CDCDRO CCN1C[C@@H](C)N(Cc2cccc(OC)c2O)CC1=O ZINC001203600251 939695724 /nfs/dbraw/zinc/69/57/24/939695724.db2.gz ZLXFXHJIDXBOLL-LLVKDONJSA-N 1 0 278.352 1.453 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c1 ZINC001203670479 939700164 /nfs/dbraw/zinc/70/01/64/939700164.db2.gz RVDAQZWCSIGHOH-SMDDNHRTSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(O)c(CN2CC(=O)NC3(CCCC3)C2)c1 ZINC001203684336 939701056 /nfs/dbraw/zinc/70/10/56/939701056.db2.gz SDIOXCBYEHHWQR-UHFFFAOYSA-N 1 0 290.363 1.645 20 10 CDCDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(O)c(O)c1 ZINC001203877675 939710990 /nfs/dbraw/zinc/71/09/90/939710990.db2.gz VXGAZVPFBHAGMW-VXGBXAGGSA-N 1 0 276.336 1.293 20 10 CDCDRO Oc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC001204274747 939749715 /nfs/dbraw/zinc/74/97/15/939749715.db2.gz IFMCPDGLQQKJAZ-ZDUSSCGKSA-N 1 0 262.353 1.768 20 10 CDCDRO [NH3+][C@H]1CN(Cc2c(O)cccc2OC(F)(F)F)C[C@H]1F ZINC001204837172 939797014 /nfs/dbraw/zinc/79/70/14/939797014.db2.gz UPGTYZWMCRCGEM-BDAKNGLRSA-N 1 0 294.248 1.772 20 10 CDCDRO COc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c(OC)c1 ZINC001205201607 939834452 /nfs/dbraw/zinc/83/44/52/939834452.db2.gz GTAAFKIRHFTSHM-BXKDBHETSA-N 1 0 266.341 1.331 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(C[N@H+](C)C[C@@H](O)CO)cc1 ZINC001209516830 940599559 /nfs/dbraw/zinc/59/95/59/940599559.db2.gz PYOFRNCSUBFMFQ-QGZVFWFLSA-N 1 0 288.391 1.879 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC2=O)c1 ZINC000405351472 940984227 /nfs/dbraw/zinc/98/42/27/940984227.db2.gz COKXXQRKCKKOSC-GFCCVEGCSA-N 1 0 262.353 1.974 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC3CC(O)C3)cc2)CC1 ZINC001218261831 941050262 /nfs/dbraw/zinc/05/02/62/941050262.db2.gz QBHYYLZBBLZIPB-UHFFFAOYSA-N 1 0 276.380 1.731 20 10 CDCDRO [NH3+][C@@]12CC[C@@](NC(=O)c3cccc(O)c3O)(C1)CCC2 ZINC001220782042 941472278 /nfs/dbraw/zinc/47/22/78/941472278.db2.gz CNUDVGOSPVXHRL-LSDHHAIUSA-N 1 0 276.336 1.632 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCNC[C@@]2(CCCCN2)C1 ZINC001222690956 941627001 /nfs/dbraw/zinc/62/70/01/941627001.db2.gz BLFMEWDWBIISBT-KRWDZBQOSA-N 1 0 289.423 1.618 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001276913858 941692969 /nfs/dbraw/zinc/69/29/69/941692969.db2.gz LIJIVRXVCZEKSJ-IAQYHMDHSA-N 1 0 276.336 1.008 20 10 CDCDRO CC(C)[NH+]1CCC(Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226463794 942009810 /nfs/dbraw/zinc/00/98/10/942009810.db2.gz BKOQCVYTCDLQDL-UHFFFAOYSA-N 1 0 299.323 1.466 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c(O)cc1O ZINC001231639005 942953358 /nfs/dbraw/zinc/95/33/58/942953358.db2.gz JVZVFDCXNABZSI-GFCCVEGCSA-N 1 0 294.351 1.159 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)cc1Cl ZINC001231868042 943037076 /nfs/dbraw/zinc/03/70/76/943037076.db2.gz PMTGAZZVNMTPGF-HUUCEWRRSA-N 1 0 299.798 1.919 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232258784 943190248 /nfs/dbraw/zinc/19/02/48/943190248.db2.gz PEEOAQWDXMLYQE-MRVPVSSYSA-N 1 0 284.743 1.449 20 10 CDCDRO Oc1cc(C[N@@H+]2CCCC[C@](O)(CF)C2)cc(O)c1O ZINC001233010330 943460073 /nfs/dbraw/zinc/46/00/73/943460073.db2.gz OSGSHKGJKLRRID-AWEZNQCLSA-N 1 0 285.315 1.490 20 10 CDCDRO O=C1CCN(Cc2cc(O)c(O)c(O)c2)C[C@@H]2CCCN12 ZINC001233016403 943464421 /nfs/dbraw/zinc/46/44/21/943464421.db2.gz VWTUVXOGNRWRNY-NSHDSACASA-N 1 0 292.335 1.000 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](C)C1 ZINC001233017935 943465773 /nfs/dbraw/zinc/46/57/73/943465773.db2.gz MMGUIMQBFYLMHA-ONGXEEELSA-N 1 0 267.325 1.803 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCCC3(COC3)C2)cc1O ZINC001233483297 943592496 /nfs/dbraw/zinc/59/24/96/943592496.db2.gz UWZOQGAAEWWQIZ-UHFFFAOYSA-N 1 0 265.309 1.416 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487384 943595624 /nfs/dbraw/zinc/59/56/24/943595624.db2.gz BHCQTFLZUMIAAZ-AWEZNQCLSA-N 1 0 281.308 1.188 20 10 CDCDRO Oc1c(CN2CCNC[C@@]23CC[NH2+]C3)ccc2ccccc21 ZINC001234989658 943997237 /nfs/dbraw/zinc/99/72/37/943997237.db2.gz QFENSBZSNYGQBB-SFHVURJKSA-N 1 0 297.402 1.683 20 10 CDCDRO CC(C)c1ccc(CN2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064180 944037411 /nfs/dbraw/zinc/03/74/11/944037411.db2.gz VXUGJWDKNYJDER-KRWDZBQOSA-N 1 0 289.423 1.653 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001235158979 944073644 /nfs/dbraw/zinc/07/36/44/944073644.db2.gz PQGSJWPQLFAZAT-TVQRCGJNSA-N 1 0 254.280 1.594 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2CO)c2ccccc21 ZINC001235439081 944155976 /nfs/dbraw/zinc/15/59/76/944155976.db2.gz AUORRWPMIPUTTK-OAHLLOKOSA-N 1 0 299.418 1.672 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236172547 944422642 /nfs/dbraw/zinc/42/26/42/944422642.db2.gz DAFKPWUYFBAPHO-CYBMUJFWSA-N 1 0 295.814 1.710 20 10 CDCDRO c1cc(N2CCCC2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236295693 944453575 /nfs/dbraw/zinc/45/35/75/944453575.db2.gz YSDYMANRISYLBH-ZBFHGGJFSA-N 1 0 257.381 1.690 20 10 CDCDRO Oc1ccc2ccccc2c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236300056 944458338 /nfs/dbraw/zinc/45/83/38/944458338.db2.gz ZYFJALSWOASDFQ-IUODEOHRSA-N 1 0 254.333 1.949 20 10 CDCDRO CCc1ccc(C[NH+]2CCC(C(=O)NC)CC2)c(O)c1 ZINC001236782908 944566417 /nfs/dbraw/zinc/56/64/17/944566417.db2.gz GTKDZDZSSZPEER-UHFFFAOYSA-N 1 0 276.380 1.913 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236909510 944614038 /nfs/dbraw/zinc/61/40/38/944614038.db2.gz RSSBKSQCDTXGSK-ZDUSSCGKSA-N 1 0 294.418 1.357 20 10 CDCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(C)cccc3O)C[C@@H]21 ZINC001237492416 944813430 /nfs/dbraw/zinc/81/34/30/944813430.db2.gz OYTARTVYCQRONX-NHAGDIPZSA-N 1 0 275.348 1.942 20 10 CDCDRO COc1cc(C[N@@H+](C)CC(OC)OC)c(O)c(OC)c1 ZINC001237679635 944924714 /nfs/dbraw/zinc/92/47/14/944924714.db2.gz XHEUJNLUHNKDPQ-UHFFFAOYSA-N 1 0 285.340 1.460 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001256038891 948174679 /nfs/dbraw/zinc/17/46/79/948174679.db2.gz XKZGUTUVBOEGMU-CYBMUJFWSA-N 1 0 290.363 1.981 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001249171647 949436108 /nfs/dbraw/zinc/43/61/08/949436108.db2.gz DOJVKWNWTGEZEL-OLZOCXBDSA-N 1 0 297.326 1.012 20 10 CDCDRO COc1cccc([C@H](O)C[NH2+]Cc2cccc(O)c2O)c1 ZINC001250734278 950333921 /nfs/dbraw/zinc/33/39/21/950333921.db2.gz IXGGWYUDSPLGIU-OAHLLOKOSA-N 1 0 289.331 1.930 20 10 CDCDRO COC(=O)[C@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252419960 951246702 /nfs/dbraw/zinc/24/67/02/951246702.db2.gz FTTRMHLKMIUSSQ-OAHLLOKOSA-N 1 0 292.379 1.253 20 10 CDCDRO C[C@H](C(=O)NCc1ccc(O)c(O)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320507005 959210607 /nfs/dbraw/zinc/21/06/07/959210607.db2.gz GCDCLWZFPJPJIQ-GRYCIOLGSA-N 1 0 292.379 1.975 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC001334775449 959351099 /nfs/dbraw/zinc/35/10/99/959351099.db2.gz YCPDFLJWMFHDEW-YPMHNXCESA-N 1 0 261.325 1.199 20 10 CDCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001337016710 960854099 /nfs/dbraw/zinc/85/40/99/960854099.db2.gz VIGNGNDGYOCXKU-HNNXBMFYSA-N 1 0 290.411 1.942 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001337020185 960859016 /nfs/dbraw/zinc/85/90/16/960859016.db2.gz ZPHBSQIICFECHO-BXUZGUMPSA-N 1 0 276.384 1.680 20 10 CDCDRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001337019709 960859656 /nfs/dbraw/zinc/85/96/56/960859656.db2.gz UDXLUKKREDXUID-UHFFFAOYSA-N 1 0 290.411 1.800 20 10 CDCDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC001340837907 963151285 /nfs/dbraw/zinc/15/12/85/963151285.db2.gz CYTDBLYPDDKZNG-DGCLKSJQSA-N 1 0 293.386 1.896 20 10 CDCDRO C[NH2+]C1(C(=O)NCc2ccc3c(c2)CCCN3C)CCC1 ZINC001341584386 963473778 /nfs/dbraw/zinc/47/37/78/963473778.db2.gz GRTGBBKSGLDWET-UHFFFAOYSA-N 1 0 287.407 1.827 20 10 CDCDRO C[C@H]1[NH2+]CCn2c(C(=O)NCc3ccccc3O)ccc21 ZINC001343539892 964031468 /nfs/dbraw/zinc/03/14/68/964031468.db2.gz ALACEOAVWDICMT-LLVKDONJSA-N 1 0 285.347 1.788 20 10 CDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001346499821 965145337 /nfs/dbraw/zinc/14/53/37/965145337.db2.gz DOGIZAQTNHRBDH-NXEZZACHSA-N 1 0 250.346 1.194 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N)cc1 ZINC001346516127 965153894 /nfs/dbraw/zinc/15/38/94/965153894.db2.gz ZMCASVMORAKHQY-CYBMUJFWSA-N 1 0 262.357 1.162 20 10 CDCDRO C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC001346739306 965234181 /nfs/dbraw/zinc/23/41/81/965234181.db2.gz PNAAPYQCPLXCQP-AAEUAGOBSA-N 1 0 276.384 1.395 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[NH2+]CC(C)C)c1 ZINC001349420284 966345013 /nfs/dbraw/zinc/34/50/13/966345013.db2.gz IEIWVLSKNXATEO-LLVKDONJSA-N 1 0 280.368 1.824 20 10 CDCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001576373449 1171406276 /nfs/dbraw/zinc/40/62/76/1171406276.db2.gz UGCIUTFXPKNQOW-YPMHNXCESA-N 1 0 260.337 1.608 20 10 CDCDRO CCc1cccc(CN[C@@H]2C[NH2+]C[C@H]2OC)c1O ZINC001578266548 1171856542 /nfs/dbraw/zinc/85/65/42/1171856542.db2.gz LBUWNHPNVQWVLA-CHWSQXEVSA-N 1 0 250.342 1.031 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000178866785 342532735 /nfs/dbraw/zinc/53/27/35/342532735.db2.gz FWRLNXAGBWFDNW-SMDDNHRTSA-N 1 0 273.380 1.553 20 10 CDCDRO OC[C@@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000184195392 343172631 /nfs/dbraw/zinc/17/26/31/343172631.db2.gz QASZKMPIWIEIEZ-KRWDZBQOSA-N 1 0 290.407 1.918 20 10 CDCDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000090885056 342397940 /nfs/dbraw/zinc/39/79/40/342397940.db2.gz OIXYNOPLEQCYEQ-WBMJQRKESA-N 1 0 288.395 1.870 20 10 CDCDRO COc1cccc(C[NH2+]CC[C@@H](C)CCO)c1O ZINC000295112553 199350536 /nfs/dbraw/zinc/35/05/36/199350536.db2.gz LWWFDCSEXPUOLU-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040468625 357000409 /nfs/dbraw/zinc/00/04/09/357000409.db2.gz QWCROJIBTYJQGI-GFCCVEGCSA-N 1 0 250.342 1.724 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000180681589 357283018 /nfs/dbraw/zinc/28/30/18/357283018.db2.gz GGIJNZSLPLNXPL-SNVBAGLBSA-N 1 0 296.367 1.223 20 10 CDCDRO CCN(Cc1cc(F)ccc1O)[C@H](C)CS(C)(=O)=O ZINC000180153699 357247254 /nfs/dbraw/zinc/24/72/54/357247254.db2.gz YJSAEDKMYUQPSL-SNVBAGLBSA-N 1 0 289.372 1.786 20 10 CDCDRO CNC(=O)CC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000180378860 357267297 /nfs/dbraw/zinc/26/72/97/357267297.db2.gz MRAPFGZRRKPKIQ-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293991493 198859999 /nfs/dbraw/zinc/85/99/99/198859999.db2.gz SCMASXMWGCPQMR-OLZOCXBDSA-N 1 0 267.325 1.030 20 10 CDCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(F)ccc1O ZINC000188746417 357933443 /nfs/dbraw/zinc/93/34/43/357933443.db2.gz OOQIUTCLPQXJMF-LBPRGKRZSA-N 1 0 296.386 1.808 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C(=O)N(C)CC)c1 ZINC000188894657 357950122 /nfs/dbraw/zinc/95/01/22/357950122.db2.gz WKHVKLBDTZVTRN-LLVKDONJSA-N 1 0 280.368 1.747 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000294671033 199128039 /nfs/dbraw/zinc/12/80/39/199128039.db2.gz ANGPMQWFLMFKGK-NSHDSACASA-N 1 0 269.341 1.612 20 10 CDCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)CO ZINC000083483187 358207772 /nfs/dbraw/zinc/20/77/72/358207772.db2.gz QEGVEFPNVHFCHF-MRVPVSSYSA-N 1 0 266.124 1.142 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c(O)c1 ZINC000294911964 199243323 /nfs/dbraw/zinc/24/33/23/199243323.db2.gz WOAFGCRPZUIHNT-IUODEOHRSA-N 1 0 265.353 1.811 20 10 CDCDRO COCCN(CC(=O)N(C)C)Cc1cc(C)ccc1O ZINC000091774407 358526098 /nfs/dbraw/zinc/52/60/98/358526098.db2.gz UASFKEVLIRFXAS-UHFFFAOYSA-N 1 0 280.368 1.237 20 10 CDCDRO COc1cccc(C[NH2+]CC2CCOCC2)c1O ZINC000104091693 358945821 /nfs/dbraw/zinc/94/58/21/358945821.db2.gz HCYJXWCVRFYSHT-UHFFFAOYSA-N 1 0 251.326 1.917 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCC(N)=O)c1O ZINC000286497620 359065148 /nfs/dbraw/zinc/06/51/48/359065148.db2.gz PJJOOXXERIEFDR-UHFFFAOYSA-N 1 0 268.288 1.041 20 10 CDCDRO C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+](C)C ZINC000272395168 365218870 /nfs/dbraw/zinc/21/88/70/365218870.db2.gz HIOHSSKCTQPNNP-BREXMAIKSA-N 1 0 264.325 1.177 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273585225 365509984 /nfs/dbraw/zinc/50/99/84/365509984.db2.gz NRPXBRLNWNMIOJ-PSASIEDQSA-N 1 0 259.733 1.704 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CCCO)CC2)cc1 ZINC000305084887 370853010 /nfs/dbraw/zinc/85/30/10/370853010.db2.gz SSVRGAVOBKMSMX-UHFFFAOYSA-N 1 0 264.369 1.636 20 10 CDCDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)nn1 ZINC000283032731 368156685 /nfs/dbraw/zinc/15/66/85/368156685.db2.gz HUKNTRYLZIRFGT-UHFFFAOYSA-N 1 0 259.309 1.823 20 10 CDCDRO Oc1ccccc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000288570464 369468315 /nfs/dbraw/zinc/46/83/15/369468315.db2.gz MYDKWFCEEPWVCU-XJKSGUPXSA-N 1 0 271.316 1.976 20 10 CDCDRO Cn1cc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000295778446 371396364 /nfs/dbraw/zinc/39/63/64/371396364.db2.gz ATZBNMDZHVBMSW-CYBMUJFWSA-N 1 0 257.337 1.945 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1C ZINC000290112076 378361528 /nfs/dbraw/zinc/36/15/28/378361528.db2.gz LFHWTAZXUNHJKD-CQSZACIVSA-N 1 0 297.420 1.918 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000293798710 378611394 /nfs/dbraw/zinc/61/13/94/378611394.db2.gz UWDLNSQQMQNXFJ-UPJWGTAASA-N 1 0 265.353 1.891 20 10 CDCDRO OCCCN1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297193902 378765116 /nfs/dbraw/zinc/76/51/16/378765116.db2.gz FOZHBGDDIRMHIB-HUUCEWRRSA-N 1 0 290.407 1.816 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CCO)CC2)cc1 ZINC000363603955 390945514 /nfs/dbraw/zinc/94/55/14/390945514.db2.gz NVZAGMXIKPKYPN-UHFFFAOYSA-N 1 0 250.342 1.200 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCN2C)c1 ZINC000224570189 390896977 /nfs/dbraw/zinc/89/69/77/390896977.db2.gz BBMTYHLWHWMDFD-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000132874247 390900301 /nfs/dbraw/zinc/90/03/01/390900301.db2.gz DLJWJQRWSLNBRF-LSDHHAIUSA-N 1 0 273.380 1.554 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000122713177 390905890 /nfs/dbraw/zinc/90/58/90/390905890.db2.gz KJJXGYCBZUXVBC-GFCCVEGCSA-N 1 0 278.352 1.453 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000219140466 391049216 /nfs/dbraw/zinc/04/92/16/391049216.db2.gz NCGJPLSGEUFZMG-CYBMUJFWSA-N 1 0 253.342 1.491 20 10 CDCDRO COCCCOCC[N@H+](C)Cc1ccccc1O ZINC000181521099 391224536 /nfs/dbraw/zinc/22/45/36/391224536.db2.gz UHAZIZYNYDBOLJ-UHFFFAOYSA-N 1 0 253.342 1.877 20 10 CDCDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183622501 391267919 /nfs/dbraw/zinc/26/79/19/391267919.db2.gz SWGHMFJQEBXAKQ-VIFPVBQESA-N 1 0 250.298 1.493 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193682042 391344128 /nfs/dbraw/zinc/34/41/28/391344128.db2.gz REFZCPCITHNIOL-CABZTGNLSA-N 1 0 264.325 1.015 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000312742354 260195932 /nfs/dbraw/zinc/19/59/32/260195932.db2.gz VODJJJJNDCHQEQ-INIZCTEOSA-N 1 0 276.380 1.928 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000172070310 261069833 /nfs/dbraw/zinc/06/98/33/261069833.db2.gz KAQHFCHXDROZTQ-OAHLLOKOSA-N 1 0 265.353 1.499 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000157210152 261142399 /nfs/dbraw/zinc/14/23/99/261142399.db2.gz KNCCNDADIWXCCK-AWEZNQCLSA-N 1 0 275.396 1.840 20 10 CDCDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000183595398 261981736 /nfs/dbraw/zinc/98/17/36/261981736.db2.gz URPCCFWADDRYIY-LLVKDONJSA-N 1 0 286.397 1.371 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000276826884 263038275 /nfs/dbraw/zinc/03/82/75/263038275.db2.gz QCGRISUASALMBT-AWEZNQCLSA-N 1 0 274.364 1.897 20 10 CDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000368964118 267214872 /nfs/dbraw/zinc/21/48/72/267214872.db2.gz DZOPDELIIOKQEW-WFBYXXMGSA-N 1 0 278.327 1.617 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1F ZINC000266996902 276883420 /nfs/dbraw/zinc/88/34/20/276883420.db2.gz BUVSZEBZNLZIID-AWEZNQCLSA-N 1 0 284.400 1.849 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCSC1)OCO2 ZINC000230704288 329372059 /nfs/dbraw/zinc/37/20/59/329372059.db2.gz YYDHWNXOPXZJRX-VIFPVBQESA-N 1 0 253.323 1.716 20 10 CDCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1 ZINC000229638858 333307202 /nfs/dbraw/zinc/30/72/02/333307202.db2.gz DSBMLSCGXXWGJH-QGZVFWFLSA-N 1 0 290.407 1.918 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934710 333322704 /nfs/dbraw/zinc/32/27/04/333322704.db2.gz CSPQUDABBSVZDC-LLVKDONJSA-N 1 0 289.759 1.541 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1cc(OC)ccc1O ZINC000529638597 333502586 /nfs/dbraw/zinc/50/25/86/333502586.db2.gz LSWVEJLFHRNJGH-UHFFFAOYSA-N 1 0 262.313 1.302 20 10 CDCDRO CC(C)C(=O)NCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020125103 519501533 /nfs/dbraw/zinc/50/15/33/519501533.db2.gz CDQNXSDWXKKNOK-UHFFFAOYSA-N 1 0 263.385 1.614 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2O)[C@H]1OC ZINC000274847453 520429498 /nfs/dbraw/zinc/42/94/98/520429498.db2.gz AIXZQKBFTZGVBO-GZBFAFLISA-N 1 0 265.353 1.983 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CO)cc1F ZINC000276710098 520904529 /nfs/dbraw/zinc/90/45/29/520904529.db2.gz GNEXFJARHPQEKJ-LBPRGKRZSA-N 1 0 270.348 1.115 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)NC)cc1 ZINC000048416649 520908170 /nfs/dbraw/zinc/90/81/70/520908170.db2.gz ULTCMAKQILVITR-LBPRGKRZSA-N 1 0 263.385 1.757 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000040825937 522189028 /nfs/dbraw/zinc/18/90/28/522189028.db2.gz MEZXWTIJYRXEPX-UHFFFAOYSA-N 1 0 275.396 1.759 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1 ZINC000289960485 522205481 /nfs/dbraw/zinc/20/54/81/522205481.db2.gz VJQLGDBAQBRHBL-UHFFFAOYSA-N 1 0 289.383 1.016 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000234785832 522684579 /nfs/dbraw/zinc/68/45/79/522684579.db2.gz CITWNFYSUKFYEH-JTQLQIEISA-N 1 0 290.157 1.252 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](C)O)cc1OC ZINC000130792485 522768949 /nfs/dbraw/zinc/76/89/49/522768949.db2.gz DONBZXGMKJNOEB-SECBINFHSA-N 1 0 255.314 1.222 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCN2CC=CCC2)cc1OC ZINC000279943203 522776802 /nfs/dbraw/zinc/77/68/02/522776802.db2.gz YZNLRHJQANZKQN-UHFFFAOYSA-N 1 0 292.379 1.761 20 10 CDCDRO COCC[N@H+](CCO)Cc1ccc(N(C)C)c(C)c1 ZINC000293271918 523706674 /nfs/dbraw/zinc/70/66/74/523706674.db2.gz XZUGPIPNRGXQMR-UHFFFAOYSA-N 1 0 266.385 1.502 20 10 CDCDRO Cc1cccc(C[NH2+]CC2(N3CCOCC3)CC2)c1O ZINC000278430465 524430010 /nfs/dbraw/zinc/43/00/10/524430010.db2.gz TUNHZAXMVHFXHA-UHFFFAOYSA-N 1 0 276.380 1.655 20 10 CDCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000131182300 524672076 /nfs/dbraw/zinc/67/20/76/524672076.db2.gz RRTLSXVYWLWYBT-KZULUSFZSA-N 1 0 268.426 1.951 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1 ZINC000292701092 524745412 /nfs/dbraw/zinc/74/54/12/524745412.db2.gz CHWIMPOIRNRVCS-NSHDSACASA-N 1 0 299.392 1.267 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCn2cc(CO)nn2)c1 ZINC000289607649 525361840 /nfs/dbraw/zinc/36/18/40/525361840.db2.gz CYNLAFFSJAKSNR-LBPRGKRZSA-N 1 0 290.367 1.525 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268875388 525384455 /nfs/dbraw/zinc/38/44/55/525384455.db2.gz ISQXFGSMGPHLMU-BLLLJJGKSA-N 1 0 288.395 1.870 20 10 CDCDRO COc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1O ZINC000263695546 526011655 /nfs/dbraw/zinc/01/16/55/526011655.db2.gz QCJPNNXJSHILOS-UHFFFAOYSA-N 1 0 292.379 1.938 20 10 CDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1cc(Cl)ccc1O ZINC000725848958 574444356 /nfs/dbraw/zinc/44/43/56/574444356.db2.gz DWUFKIVEBPMXSQ-SECBINFHSA-N 1 0 266.732 1.815 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000732279194 575086257 /nfs/dbraw/zinc/08/62/57/575086257.db2.gz KCAOARBLUOGMGR-HNNXBMFYSA-N 1 0 293.386 1.992 20 10 CDCDRO O=S1(=O)CCN(c2ccc(C[NH2+]CC3CC3)cc2)CC1 ZINC000733330890 575115136 /nfs/dbraw/zinc/11/51/36/575115136.db2.gz RQFFZVNFHXUKCX-UHFFFAOYSA-N 1 0 294.420 1.421 20 10 CDCDRO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000774383625 575944264 /nfs/dbraw/zinc/94/42/64/575944264.db2.gz ZDFMMZAALNBQAL-SNVBAGLBSA-N 1 0 288.338 1.899 20 10 CDCDRO CS[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1[NH+](C)C ZINC000765273775 576003626 /nfs/dbraw/zinc/00/36/26/576003626.db2.gz XOVOIZOMSDJQKB-MWLCHTKSSA-N 1 0 286.422 1.571 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1OC ZINC000765794528 576056068 /nfs/dbraw/zinc/05/60/68/576056068.db2.gz DBYUWEQVNRPQIZ-CMPLNLGQSA-N 1 0 278.352 1.405 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000765799985 576057488 /nfs/dbraw/zinc/05/74/88/576057488.db2.gz ZYPKEWBHKGPNFV-CABCVRRESA-N 1 0 275.396 1.757 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC000768179982 576262388 /nfs/dbraw/zinc/26/23/88/576262388.db2.gz QVZDXEHBQPAQLJ-CYBMUJFWSA-N 1 0 278.352 1.631 20 10 CDCDRO COCC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768448730 576284619 /nfs/dbraw/zinc/28/46/19/576284619.db2.gz WEJSXXNZIBHDOW-OAHLLOKOSA-N 1 0 293.363 1.676 20 10 CDCDRO CC1(O)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768463440 576286977 /nfs/dbraw/zinc/28/69/77/576286977.db2.gz IYQJQRGLHQJQGP-CYBMUJFWSA-N 1 0 279.336 1.165 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(N)=O)cc1 ZINC000741677599 576567281 /nfs/dbraw/zinc/56/72/81/576567281.db2.gz ALCNVEJRUNEKKJ-UHFFFAOYSA-N 1 0 292.383 1.160 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000742377555 576599062 /nfs/dbraw/zinc/59/90/62/576599062.db2.gz VSHKTLUKJJWVCZ-GFCCVEGCSA-N 1 0 253.342 1.842 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000748460340 576913674 /nfs/dbraw/zinc/91/36/74/576913674.db2.gz OFGQDFFJSLKZPW-KBPBESRZSA-N 1 0 289.379 1.818 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc(C)c1O ZINC000757926339 577061042 /nfs/dbraw/zinc/06/10/42/577061042.db2.gz LIFXZIZWYBHJFV-OAHLLOKOSA-N 1 0 281.352 1.758 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)ccc1O ZINC000757926791 577061363 /nfs/dbraw/zinc/06/13/63/577061363.db2.gz OOYFNTSQGKWYTR-OAHLLOKOSA-N 1 0 297.351 1.459 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCC2)cc1F ZINC000752105100 577089359 /nfs/dbraw/zinc/08/93/59/577089359.db2.gz WQBYDCBICWARSP-UHFFFAOYSA-N 1 0 251.349 1.687 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000759173997 577157283 /nfs/dbraw/zinc/15/72/83/577157283.db2.gz SVOXJLYXRBBGSX-DZGCQCFKSA-N 1 0 265.353 1.984 20 10 CDCDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1O ZINC000892027990 617422061 /nfs/dbraw/zinc/42/20/61/617422061.db2.gz OXTBUVMIDRSQMF-BXKDBHETSA-N 1 0 263.341 1.490 20 10 CDCDRO COc1ccc(C[N@H+](CCCO)C2CC2)c(O)c1OC ZINC000892035247 617428850 /nfs/dbraw/zinc/42/88/50/617428850.db2.gz CAPDWZWVNHCKDV-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000892039400 617434603 /nfs/dbraw/zinc/43/46/03/617434603.db2.gz STFDZUKIUUDWDK-GDBMZVCRSA-N 1 0 288.395 1.395 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)CC[NH2+]1 ZINC000892098324 617479907 /nfs/dbraw/zinc/47/99/07/617479907.db2.gz ZSZGUEZAQKWUCE-ZYHUDNBSSA-N 1 0 275.352 1.558 20 10 CDCDRO COc1ccc(C[NH2+]CCc2cnccn2)c(O)c1OC ZINC000893284757 617518899 /nfs/dbraw/zinc/51/88/99/617518899.db2.gz IWNCPORKLTXEJV-UHFFFAOYSA-N 1 0 289.335 1.532 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2)c(O)c1OC ZINC000892665748 617571812 /nfs/dbraw/zinc/57/18/12/617571812.db2.gz SZHHUVHIGATVLK-GFCCVEGCSA-N 1 0 280.368 1.593 20 10 CDCDRO COC[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000044478649 617582511 /nfs/dbraw/zinc/58/25/11/617582511.db2.gz XXMKAGXFFFNUCC-AWEZNQCLSA-N 1 0 278.396 1.895 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000044684309 617583761 /nfs/dbraw/zinc/58/37/61/617583761.db2.gz YULFWPIRRORMEO-LBPRGKRZSA-N 1 0 262.353 1.727 20 10 CDCDRO CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891944965 617812652 /nfs/dbraw/zinc/81/26/52/617812652.db2.gz RNNJQPJUTXYALL-ZDUSSCGKSA-N 1 0 264.373 1.284 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1c(O)cccc1OC ZINC000922590357 618276947 /nfs/dbraw/zinc/27/69/47/618276947.db2.gz RLPNTBFIELTGJB-ZDUSSCGKSA-N 1 0 294.395 1.601 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c(O)c1OC ZINC000894118101 618470901 /nfs/dbraw/zinc/47/09/01/618470901.db2.gz LDGSBUCIKCKOQY-BONVTDFDSA-N 1 0 297.351 1.039 20 10 CDCDRO COc1ccc(C[NH2+]C2CCN(C=O)CC2)c(O)c1 ZINC000894186508 618675758 /nfs/dbraw/zinc/67/57/58/618675758.db2.gz XSGNEUHBQZHVIZ-UHFFFAOYSA-N 1 0 264.325 1.111 20 10 CDCDRO Cc1cc(Br)c(O)c(CN(C)CC[NH3+])c1 ZINC000841100956 618682342 /nfs/dbraw/zinc/68/23/42/618682342.db2.gz PVYSNDOVOQMFSM-UHFFFAOYSA-N 1 0 273.174 1.854 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000843057543 618691391 /nfs/dbraw/zinc/69/13/91/618691391.db2.gz JOQXPUUAZIXDEN-DOMZBBRYSA-N 1 0 264.369 1.557 20 10 CDCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)C(F)(F)F ZINC000877693909 618701636 /nfs/dbraw/zinc/70/16/36/618701636.db2.gz UEMUAJXNAAFXAF-QUBYGPBYSA-N 1 0 267.222 1.933 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894251870 618758072 /nfs/dbraw/zinc/75/80/72/618758072.db2.gz SDVJIJWOMBIDCD-AWEZNQCLSA-N 1 0 269.341 1.196 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841858881 618860506 /nfs/dbraw/zinc/86/05/06/618860506.db2.gz DVZZUHINTBJKGY-UHFFFAOYSA-N 1 0 277.347 1.793 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c(O)c1OC ZINC000894777646 619053349 /nfs/dbraw/zinc/05/33/49/619053349.db2.gz HTANVKQIYCQUQK-AOOOYVTPSA-N 1 0 253.298 1.022 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)CC1=O ZINC000894900763 619133709 /nfs/dbraw/zinc/13/37/09/619133709.db2.gz OJRWMGYJSUXULQ-GFCCVEGCSA-N 1 0 278.352 1.420 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2COC[C@H]2OC)c1O ZINC000894983696 619183846 /nfs/dbraw/zinc/18/38/46/619183846.db2.gz FTRRAKJBBVJVNN-WCQYABFASA-N 1 0 267.325 1.213 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000895007909 619204894 /nfs/dbraw/zinc/20/48/94/619204894.db2.gz PHMFLVLNQFGAEC-GFCCVEGCSA-N 1 0 288.351 1.817 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)c(O)c1OC ZINC000895124276 619319574 /nfs/dbraw/zinc/31/95/74/619319574.db2.gz NQTYGQKVKUOWKI-KOLCDFICSA-N 1 0 267.325 1.676 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1 ZINC000895327352 619570586 /nfs/dbraw/zinc/57/05/86/619570586.db2.gz MOMUQTSTGNBQAQ-IAGOWNOFSA-N 1 0 292.423 1.850 20 10 CDCDRO COc1ccc(C[NH2+]C2CSC2)c(O)c1OC ZINC000895434036 619659752 /nfs/dbraw/zinc/65/97/52/619659752.db2.gz RJCKUPSSDWKYQF-UHFFFAOYSA-N 1 0 255.339 1.614 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1=O ZINC000896729115 620213927 /nfs/dbraw/zinc/21/39/27/620213927.db2.gz LCMCEJFYTNEJIN-CYBMUJFWSA-N 1 0 292.379 1.810 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCO[C@H]2CCOC2)cc1OC ZINC000897201344 620414533 /nfs/dbraw/zinc/41/45/33/620414533.db2.gz IZTSGVJOTOALBU-LBPRGKRZSA-N 1 0 297.351 1.305 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758374 621011203 /nfs/dbraw/zinc/01/12/03/621011203.db2.gz AQSBRPFJYVWLPL-UHFFFAOYSA-N 1 0 282.363 1.300 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000897889303 621193624 /nfs/dbraw/zinc/19/36/24/621193624.db2.gz REWLJTKQCCILCR-TZMCWYRMSA-N 1 0 251.326 1.594 20 10 CDCDRO Cc1cc(Br)c(O)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000841044726 621586186 /nfs/dbraw/zinc/58/61/86/621586186.db2.gz GQEICWUGQOZQAR-SNVBAGLBSA-N 1 0 285.185 1.915 20 10 CDCDRO C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841050137 621596195 /nfs/dbraw/zinc/59/61/95/621596195.db2.gz YHOQHGHPKFRKHT-SSDOTTSWSA-N 1 0 273.720 1.638 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2CC)c1O ZINC000898541423 621786434 /nfs/dbraw/zinc/78/64/34/621786434.db2.gz JZYKDDAIFWWLBA-CYBMUJFWSA-N 1 0 292.379 1.891 20 10 CDCDRO Oc1cc2c(cc1CN1CCn3cccc3C1)OCO2 ZINC000905745731 626958803 /nfs/dbraw/zinc/95/88/03/626958803.db2.gz RMSDHBPTSSTRDD-UHFFFAOYSA-N 1 0 272.304 1.938 20 10 CDCDRO CC(C)(C(=O)NCc1ccc(O)c(O)c1)[NH+]1CCCCC1 ZINC000907059675 627514394 /nfs/dbraw/zinc/51/43/94/627514394.db2.gz KPBFQAVCMTUHAG-UHFFFAOYSA-N 1 0 292.379 1.979 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccc(O)cc1O)C1CCC1 ZINC000910945840 629126520 /nfs/dbraw/zinc/12/65/20/629126520.db2.gz ZXEQSZZFHMKGBL-UHFFFAOYSA-N 1 0 264.325 1.198 20 10 CDCDRO CCCN(CC[NH+](C)C)C(=O)Cc1ccc(N)cc1 ZINC000045661965 630587789 /nfs/dbraw/zinc/58/77/89/630587789.db2.gz DLTNNMDDVVFSEC-UHFFFAOYSA-N 1 0 263.385 1.612 20 10 CDCDRO CC[NH+]1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000915789757 631817260 /nfs/dbraw/zinc/81/72/60/631817260.db2.gz KLJFQLSQHNEXNF-UHFFFAOYSA-N 1 0 264.369 1.847 20 10 CDCDRO CN(Cc1ccccc1O)C(=S)NCCC[NH+](C)C ZINC000917581670 632247919 /nfs/dbraw/zinc/24/79/19/632247919.db2.gz PKFWJEIJUIRKBB-UHFFFAOYSA-N 1 0 281.425 1.650 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000227134726 1160399062 /nfs/dbraw/zinc/39/90/62/1160399062.db2.gz RFABNIUYMMAQQK-UTUOFQBUSA-N 1 0 265.353 1.846 20 10 CDCDRO CC(C)CNC(=O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000071122532 1171701931 /nfs/dbraw/zinc/70/19/31/1171701931.db2.gz KJJMWBAWEVLBOE-UHFFFAOYSA-N 1 0 263.385 1.614 20 10 CDCDRO NC(=O)[C@H](F)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001580085178 1172347691 /nfs/dbraw/zinc/34/76/91/1172347691.db2.gz VDIXEFGNVREFDW-CYBMUJFWSA-N 1 0 265.332 1.304 20 10 CDCDRO [NH3+]Cc1ccc(C(=O)NCc2c(O)cccc2O)o1 ZINC001580336724 1172408004 /nfs/dbraw/zinc/40/80/04/1172408004.db2.gz KIVTVHDBTPNGLQ-UHFFFAOYSA-N 1 0 262.265 1.080 20 10 CDCDRO [NH3+]Cc1ccc(C(=O)NCc2cccc(O)c2O)o1 ZINC001580336917 1172408198 /nfs/dbraw/zinc/40/81/98/1172408198.db2.gz XIIHPMNQMSCILB-UHFFFAOYSA-N 1 0 262.265 1.080 20 10 CDCDRO O=C(CCC12CC(C1)C[NH2+]2)NCc1cc(O)ccc1O ZINC001580524267 1172460072 /nfs/dbraw/zinc/46/00/72/1172460072.db2.gz BRMLFIKTWHIOHT-UHFFFAOYSA-N 1 0 276.336 1.246 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1O ZINC000219446395 1177900826 /nfs/dbraw/zinc/90/08/26/1177900826.db2.gz JIESFRIWLIVVCT-SECBINFHSA-N 1 0 251.204 1.111 20 10 CDCDRO C[NH+](C)CCN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000166373390 1181091755 /nfs/dbraw/zinc/09/17/55/1181091755.db2.gz QWZILFKMYJMEAC-UHFFFAOYSA-N 1 0 297.830 1.725 20 10 CDCDRO O=C1CCCN1CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000405316131 1186569965 /nfs/dbraw/zinc/56/99/65/1186569965.db2.gz ACHVUSDQWPAHSP-UHFFFAOYSA-N 1 0 287.407 1.999 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccc(Cl)cc1O ZINC000886744772 773736085 /nfs/dbraw/zinc/73/60/85/773736085.db2.gz GJNSWBBBQQQCCT-SECBINFHSA-N 1 0 283.759 1.721 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1O ZINC000824710528 773758765 /nfs/dbraw/zinc/75/87/65/773758765.db2.gz ZWLFAXRRSSPEGN-SWLSCSKDSA-N 1 0 295.379 1.932 20 10 CDCDRO CSC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984510 773801514 /nfs/dbraw/zinc/80/15/14/773801514.db2.gz AIMXQBNOBDVPOT-CQSZACIVSA-N 1 0 280.437 1.883 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000840957573 773820470 /nfs/dbraw/zinc/82/04/70/773820470.db2.gz KXMQWPBCUAGHQE-LBPRGKRZSA-N 1 0 278.352 1.311 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000775374480 773927659 /nfs/dbraw/zinc/92/76/59/773927659.db2.gz CDJHVMJTEOUXBU-DGCLKSJQSA-N 1 0 295.379 1.839 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876580914 773929097 /nfs/dbraw/zinc/92/90/97/773929097.db2.gz UQQAEBDYXAMUHR-CQSZACIVSA-N 1 0 262.353 1.801 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)c1 ZINC000817412142 773956680 /nfs/dbraw/zinc/95/66/80/773956680.db2.gz DTOWEBICBNDVSZ-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000877331998 773961816 /nfs/dbraw/zinc/96/18/16/773961816.db2.gz WLXVOZLDHKWTHR-CYBMUJFWSA-N 1 0 262.353 1.217 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386482259 774069028 /nfs/dbraw/zinc/06/90/28/774069028.db2.gz INJSJFVKZOEIPW-MFKMUULPSA-N 1 0 250.317 1.715 20 10 CDCDRO OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1O ZINC000037169228 774070271 /nfs/dbraw/zinc/07/02/71/774070271.db2.gz GDROMLQMCLXMPO-CQSZACIVSA-N 1 0 287.363 1.748 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)cc1 ZINC000709596253 774070905 /nfs/dbraw/zinc/07/09/05/774070905.db2.gz MMGBRSXTTWCPQP-UHFFFAOYSA-N 1 0 299.440 1.124 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1CO ZINC000857061811 774095435 /nfs/dbraw/zinc/09/54/35/774095435.db2.gz VWWHBBRYWXVRRV-ZYHUDNBSSA-N 1 0 253.317 1.982 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1 ZINC000824708982 774143359 /nfs/dbraw/zinc/14/33/59/774143359.db2.gz LQHGQQTZDPVIKQ-BLLLJJGKSA-N 1 0 295.379 1.932 20 10 CDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000083492524 774172231 /nfs/dbraw/zinc/17/22/31/774172231.db2.gz SCUHKVGKCYACOT-ZANVPECISA-N 1 0 266.341 1.390 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817945127 774274484 /nfs/dbraw/zinc/27/44/84/774274484.db2.gz UYGVIMOTRSUNCM-JTQLQIEISA-N 1 0 285.338 1.226 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CCC(O)(CO)CC2)cc1 ZINC000827147580 774289585 /nfs/dbraw/zinc/28/95/85/774289585.db2.gz SYPFHIHHCRVVKI-UHFFFAOYSA-N 1 0 292.423 1.852 20 10 CDCDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000785829737 774319511 /nfs/dbraw/zinc/31/95/11/774319511.db2.gz AGETWKXHCVHKEU-INIZCTEOSA-N 1 0 280.412 1.970 20 10 CDCDRO COC(=O)c1cc(C[NH2+]Cc2ccc(OC)cc2O)c[nH]1 ZINC000793388488 774323020 /nfs/dbraw/zinc/32/30/20/774323020.db2.gz PAEWNSOQRJGMOJ-UHFFFAOYSA-N 1 0 290.319 1.805 20 10 CDCDRO CCOCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881848847 774644414 /nfs/dbraw/zinc/64/44/14/774644414.db2.gz BPNCCVRXBVAMJP-UHFFFAOYSA-N 1 0 291.395 1.091 20 10 CDCDRO COc1ccc(CNC(=O)NC[C@@H]([NH3+])C(C)C)c(O)c1 ZINC000841943894 774667315 /nfs/dbraw/zinc/66/73/15/774667315.db2.gz PYNJYZCYCALGQB-GFCCVEGCSA-N 1 0 281.356 1.183 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000829764741 774702868 /nfs/dbraw/zinc/70/28/68/774702868.db2.gz VUWYXIMYVPBQIL-SWLSCSKDSA-N 1 0 275.396 1.675 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c(O)c1 ZINC000877489022 774756214 /nfs/dbraw/zinc/75/62/14/774756214.db2.gz JPMCHYNYLPWVFS-SMDDNHRTSA-N 1 0 251.326 1.330 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000789764194 774757014 /nfs/dbraw/zinc/75/70/14/774757014.db2.gz UKEWMDVUQFPGNZ-ZDUSSCGKSA-N 1 0 294.395 1.553 20 10 CDCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1COCCN1 ZINC000863484111 774801299 /nfs/dbraw/zinc/80/12/99/774801299.db2.gz UEIMPHLIPWKXRQ-INIZCTEOSA-N 1 0 289.423 1.755 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)CCNC(=O)N(C)C)cc1C ZINC000779432554 774806083 /nfs/dbraw/zinc/80/60/83/774806083.db2.gz UYZPXZZQRIBSGP-UHFFFAOYSA-N 1 0 279.384 1.712 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841738828 774840036 /nfs/dbraw/zinc/84/00/36/774840036.db2.gz FMIPRJLEDNWMOX-CQSZACIVSA-N 1 0 276.384 1.205 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000841819789 774873613 /nfs/dbraw/zinc/87/36/13/774873613.db2.gz FUSGUYVMDFMRED-AWEZNQCLSA-N 1 0 288.395 1.347 20 10 CDCDRO COCCOCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886512259 775000040 /nfs/dbraw/zinc/00/00/40/775000040.db2.gz APEPSVKWWYRUDU-SNVBAGLBSA-N 1 0 257.305 1.845 20 10 CDCDRO C[C@H]([NH2+]CC1(O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000162580835 775023777 /nfs/dbraw/zinc/02/37/77/775023777.db2.gz SNWIAYTXAXWHCB-ZDUSSCGKSA-N 1 0 278.396 1.945 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C3CSC3)cc2)CC1 ZINC000827662218 775033764 /nfs/dbraw/zinc/03/37/64/775033764.db2.gz OCZJUCDYCLTWET-UHFFFAOYSA-N 1 0 278.421 1.853 20 10 CDCDRO COCC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000122997862 775041294 /nfs/dbraw/zinc/04/12/94/775041294.db2.gz LXBZKTHZMNSKTN-UHFFFAOYSA-N 1 0 284.787 1.810 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(CCO)C(C)(C)C2)c1O ZINC000783714122 775046947 /nfs/dbraw/zinc/04/69/47/775046947.db2.gz LUAXBDIUVORAAQ-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1O ZINC000846157252 775409021 /nfs/dbraw/zinc/40/90/21/775409021.db2.gz SVDTUDCDWFTXSY-HUBLWGQQSA-N 1 0 294.395 1.771 20 10 CDCDRO COc1ccc(O)c(CNc2cnn(CC[NH+](C)C)c2)c1 ZINC000846070233 775455722 /nfs/dbraw/zinc/45/57/22/775455722.db2.gz BTGQIFGABKOREX-UHFFFAOYSA-N 1 0 290.367 1.771 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(OC)OC)c1 ZINC000037566528 775460607 /nfs/dbraw/zinc/46/06/07/775460607.db2.gz NINBGIVKYBIMGJ-SECBINFHSA-N 1 0 255.314 1.670 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)COCC[NH3+] ZINC000093231437 775550381 /nfs/dbraw/zinc/55/03/81/775550381.db2.gz YAPQKCBKYQTELK-UHFFFAOYSA-N 1 0 279.384 1.076 20 10 CDCDRO COc1ccc(C[NH2+][C@@](C)(C(N)=O)C(C)C)cc1C ZINC000388935926 775564007 /nfs/dbraw/zinc/56/40/07/775564007.db2.gz UITIATPHJUGAPM-OAHLLOKOSA-N 1 0 264.369 1.993 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000824559760 775838679 /nfs/dbraw/zinc/83/86/79/775838679.db2.gz YOJBSSUKXUQWSR-OAHLLOKOSA-N 1 0 278.396 1.637 20 10 CDCDRO Cc1cc(O)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1C ZINC000846067452 775855485 /nfs/dbraw/zinc/85/54/85/775855485.db2.gz FBZNTGJJLPESPP-OAHLLOKOSA-N 1 0 276.380 1.260 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)cc1 ZINC000872141039 775932602 /nfs/dbraw/zinc/93/26/02/775932602.db2.gz IVYFOPUTCRBRBY-DAXOMENPSA-N 1 0 278.396 1.943 20 10 CDCDRO COCC1(C(=O)N[C@H](C)c2ccccc2O)CC[NH2+]CC1 ZINC000870988471 775969947 /nfs/dbraw/zinc/96/99/47/775969947.db2.gz QKLYYAUHSSHQMH-GFCCVEGCSA-N 1 0 292.379 1.586 20 10 CDCDRO Cc1cccc(C[NH2+]CC2(OCCO)CCOCC2)c1O ZINC000800542045 776036647 /nfs/dbraw/zinc/03/66/47/776036647.db2.gz ZCGMTLRKBLUXPJ-UHFFFAOYSA-N 1 0 295.379 1.348 20 10 CDCDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000228421270 776279866 /nfs/dbraw/zinc/27/98/66/776279866.db2.gz ULNVVZPJGGTKMT-QWHCGFSZSA-N 1 0 262.353 1.916 20 10 CDCDRO CN(CCC[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758132 776332461 /nfs/dbraw/zinc/33/24/61/776332461.db2.gz CYKINZUWGFZBAT-UHFFFAOYSA-N 1 0 290.411 1.559 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846075488 776377911 /nfs/dbraw/zinc/37/79/11/776377911.db2.gz PABGSHPCKHDEJB-LLVKDONJSA-N 1 0 290.363 1.501 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)c(O)c1 ZINC000877088738 776426226 /nfs/dbraw/zinc/42/62/26/776426226.db2.gz IBCUDVSDDFADQQ-NSHDSACASA-N 1 0 271.382 1.613 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000852802703 776723069 /nfs/dbraw/zinc/72/30/69/776723069.db2.gz RQGVLZHQOSQKIM-SKDRFNHKSA-N 1 0 266.341 1.576 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCC2)c1 ZINC000163993550 776842874 /nfs/dbraw/zinc/84/28/74/776842874.db2.gz ITQHYIOTLLVXQD-JTQLQIEISA-N 1 0 251.326 1.966 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000180175444 776897404 /nfs/dbraw/zinc/89/74/04/776897404.db2.gz JBMABYLLMNHQKF-CQSZACIVSA-N 1 0 281.352 1.374 20 10 CDCDRO CC[NH2+]CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000844176432 776969047 /nfs/dbraw/zinc/96/90/47/776969047.db2.gz RLUYTLJBXKMBEW-ZDUSSCGKSA-N 1 0 291.395 1.310 20 10 CDCDRO O=C1[C@H]([NH2+]Cc2cc(F)ccc2O)C[C@H]2CCCCN12 ZINC000835075011 776984020 /nfs/dbraw/zinc/98/40/20/776984020.db2.gz UJGYWFALLPANIB-CHWSQXEVSA-N 1 0 278.327 1.774 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@@H](C[NH3+])C2)cc1C ZINC000843068611 777057042 /nfs/dbraw/zinc/05/70/42/777057042.db2.gz LFBQRMSRANBCRS-ZDUSSCGKSA-N 1 0 250.342 1.169 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1cc(F)ccc1O ZINC000226562275 777167348 /nfs/dbraw/zinc/16/73/48/777167348.db2.gz DGXLANCWQVQZPH-UHFFFAOYSA-N 1 0 254.305 1.441 20 10 CDCDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000826995289 777171561 /nfs/dbraw/zinc/17/15/61/777171561.db2.gz SQSICQAFPRJMDM-LBPRGKRZSA-N 1 0 262.309 1.419 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c(O)c1O ZINC000832495759 777241802 /nfs/dbraw/zinc/24/18/02/777241802.db2.gz GKWGVHWICZAXGO-VXGBXAGGSA-N 1 0 278.352 1.619 20 10 CDCDRO CO[C@@H](C)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000796640989 777247299 /nfs/dbraw/zinc/24/72/99/777247299.db2.gz QQCYWVMSYHHVFW-ZDUSSCGKSA-N 1 0 293.411 1.336 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c(O)c1 ZINC000877590003 777264428 /nfs/dbraw/zinc/26/44/28/777264428.db2.gz VOTVSQJREAWZMG-ZIAGYGMSSA-N 1 0 265.353 1.578 20 10 CDCDRO COCCNCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817964472 777463011 /nfs/dbraw/zinc/46/30/11/777463011.db2.gz DVXUNRRJAUCTSY-PWSUYJOCSA-N 1 0 282.359 1.905 20 10 CDCDRO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)ccc1N(C)C ZINC000815076428 777523806 /nfs/dbraw/zinc/52/38/06/777523806.db2.gz FOOARHSULFCFFE-CQSZACIVSA-N 1 0 261.369 1.381 20 10 CDCDRO Cc1cc(CN2CCSC[C@@H]2C(N)=O)ccc1N(C)C ZINC000815080695 777765621 /nfs/dbraw/zinc/76/56/21/777765621.db2.gz IGVJTHVSSFAUIF-CQSZACIVSA-N 1 0 293.436 1.464 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1cc2c(cc1O)CCCC2 ZINC000817982351 777840315 /nfs/dbraw/zinc/84/03/15/777840315.db2.gz CLUCYAHHTOEGLO-IUODEOHRSA-N 1 0 290.407 1.910 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CCN(C)C[C@H]2CO)cc1C ZINC000877645062 777851700 /nfs/dbraw/zinc/85/17/00/777851700.db2.gz ZOCIKGNBHVCDOV-AWEZNQCLSA-N 1 0 264.369 1.117 20 10 CDCDRO O=C(NCc1cnc2n1CCCC2)C1=CC(=O)CS1 ZINC000807562500 777873940 /nfs/dbraw/zinc/87/39/40/777873940.db2.gz NWSRWIHXZMOFRC-UHFFFAOYSA-N 1 0 277.349 1.917 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000877029038 777900251 /nfs/dbraw/zinc/90/02/51/777900251.db2.gz OMEHRKRSBOBQJS-SNVBAGLBSA-N 1 0 257.355 1.223 20 10 CDCDRO CC(C)([NH3+])C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841031571 778068309 /nfs/dbraw/zinc/06/83/09/778068309.db2.gz WQGIZJIRYLFPMR-UHFFFAOYSA-N 1 0 273.174 1.982 20 10 CDCDRO COCC1([NH2+]Cc2ccc(C)cc2O)CCOCC1 ZINC000877548994 778111412 /nfs/dbraw/zinc/11/14/12/778111412.db2.gz FUNMAQJNMKOXEE-UHFFFAOYSA-N 1 0 265.353 1.986 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1O ZINC000848562497 778260991 /nfs/dbraw/zinc/26/09/91/778260991.db2.gz DTDFSVJMBHREPS-MWLCHTKSSA-N 1 0 290.342 1.868 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000886672355 778286625 /nfs/dbraw/zinc/28/66/25/778286625.db2.gz MVMHAEMWTGFFPQ-YNEHKIRRSA-N 1 0 295.379 1.981 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000858600565 778322937 /nfs/dbraw/zinc/32/29/37/778322937.db2.gz XHYMRHQKIMRXLS-YOEHRIQHSA-N 1 0 291.439 1.860 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H](O)COCC2CC2)c(O)c1 ZINC000877000561 778813015 /nfs/dbraw/zinc/81/30/15/778813015.db2.gz RLAPERGDXWCAIP-AWEZNQCLSA-N 1 0 265.353 1.578 20 10 CDCDRO CCN1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)CC1=O ZINC000391544660 778828155 /nfs/dbraw/zinc/82/81/55/778828155.db2.gz PNNJKZRFNJSOJB-GHMZBOCLSA-N 1 0 278.352 1.672 20 10 CDCDRO COC(=O)[C@H]1CN(Cc2cc(F)ccc2O)CC[N@H+](C)C1 ZINC000840956635 778859900 /nfs/dbraw/zinc/85/99/00/778859900.db2.gz BEIBSTJTUKTORK-GFCCVEGCSA-N 1 0 296.342 1.068 20 10 CDCDRO COc1ccc(CNC(=O)C2(C[NH+](C)C)CC2)c(O)c1 ZINC000822613163 778862095 /nfs/dbraw/zinc/86/20/95/778862095.db2.gz XBHOEVCUMJNKSY-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1CO ZINC000857061742 778962457 /nfs/dbraw/zinc/96/24/57/778962457.db2.gz UUAKSLZIXGZNLN-ZYHUDNBSSA-N 1 0 279.336 1.571 20 10 CDCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)NCC1CC1 ZINC000921975107 779042601 /nfs/dbraw/zinc/04/26/01/779042601.db2.gz ZVSFPTLFGKDWCJ-UHFFFAOYSA-N 1 0 274.364 1.627 20 10 CDCDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1O ZINC000843121983 779045400 /nfs/dbraw/zinc/04/54/00/779045400.db2.gz MOUJEJFRXJDBGK-CYBMUJFWSA-N 1 0 290.342 1.411 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841752592 779164849 /nfs/dbraw/zinc/16/48/49/779164849.db2.gz PWJPYOGIUQTNLB-SCZZXKLOSA-N 1 0 259.733 1.704 20 10 CDCDRO C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817962239 779171422 /nfs/dbraw/zinc/17/14/22/779171422.db2.gz JRWUZZZIAWIAFR-RKDXNWHRSA-N 1 0 253.302 1.546 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1 ZINC000248483437 779241646 /nfs/dbraw/zinc/24/16/46/779241646.db2.gz CUDDEEGJLSWIBS-QWHCGFSZSA-N 1 0 294.395 1.772 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1c(C)cccc1O ZINC000877475091 779283096 /nfs/dbraw/zinc/28/30/96/779283096.db2.gz LURCPIYTLQBMDL-CYBMUJFWSA-N 1 0 283.368 1.204 20 10 CDCDRO NC(=O)CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816483582 779298693 /nfs/dbraw/zinc/29/86/93/779298693.db2.gz XMJSBQGKDBXUSV-UHFFFAOYSA-N 1 0 299.374 1.148 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922161340 779355866 /nfs/dbraw/zinc/35/58/66/779355866.db2.gz BHITUYYFEPKBBD-NSHDSACASA-N 1 0 262.353 1.626 20 10 CDCDRO CC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876533119 779368075 /nfs/dbraw/zinc/36/80/75/779368075.db2.gz FZEFSSJIKHHHJN-CYBMUJFWSA-N 1 0 283.393 1.710 20 10 CDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000840957154 779394042 /nfs/dbraw/zinc/39/40/42/779394042.db2.gz GJDFRMYNZIDNHX-JTQLQIEISA-N 1 0 282.771 1.956 20 10 CDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(OC)cc1O ZINC000884334960 779412984 /nfs/dbraw/zinc/41/29/84/779412984.db2.gz GSDKXYDZPAETHT-ZDUSSCGKSA-N 1 0 280.368 1.651 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)[NH3+])c1 ZINC000828666157 779517178 /nfs/dbraw/zinc/51/71/78/779517178.db2.gz ATAQORDWBOPCAP-IUCAKERBSA-N 1 0 252.314 1.315 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2CC1CC[NH2+]CC1 ZINC000843069813 779567947 /nfs/dbraw/zinc/56/79/47/779567947.db2.gz SLWGQOGQWKWTLQ-UHFFFAOYSA-N 1 0 275.396 1.951 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)C(F)(F)F ZINC000877693907 779893841 /nfs/dbraw/zinc/89/38/41/779893841.db2.gz UEMUAJXNAAFXAF-LDWIPMOCSA-N 1 0 267.222 1.933 20 10 CDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000824709321 780004759 /nfs/dbraw/zinc/00/47/59/780004759.db2.gz PADLGEAHQPRRQI-GXTWGEPZSA-N 1 0 251.326 1.533 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1 ZINC000846109914 780038820 /nfs/dbraw/zinc/03/88/20/780038820.db2.gz KOZDDPJKZQPPLK-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000136462420 780060297 /nfs/dbraw/zinc/06/02/97/780060297.db2.gz JJWCLSSHSICZSB-CYBMUJFWSA-N 1 0 294.420 1.788 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)[NH2+]1 ZINC000843051484 780086652 /nfs/dbraw/zinc/08/66/52/780086652.db2.gz JHXCKTILCNECPQ-GASCZTMLSA-N 1 0 289.423 1.705 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](CO)C2)cc1F ZINC000862237748 780128836 /nfs/dbraw/zinc/12/88/36/780128836.db2.gz VLUMGRCELUQWNO-SNVBAGLBSA-N 1 0 270.323 1.845 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000846076032 780133936 /nfs/dbraw/zinc/13/39/36/780133936.db2.gz CTLVKBVANUXGHS-CQSZACIVSA-N 1 0 287.407 1.853 20 10 CDCDRO Cc1c[nH+]ccc1Nc1cc(S(C)(=O)=O)ccc1O ZINC001174540199 913199300 /nfs/dbraw/zinc/19/93/00/913199300.db2.gz XQAWMLPMRNTNLY-UHFFFAOYSA-N 1 0 278.333 1.665 20 10 CDCDRO CN(C)c1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1F ZINC000166459859 897121989 /nfs/dbraw/zinc/12/19/89/897121989.db2.gz NEHFFJFEHBFUEV-UHFFFAOYSA-N 1 0 291.326 1.873 20 10 CDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C1CC1)cc2=O ZINC000052608048 897528043 /nfs/dbraw/zinc/52/80/43/897528043.db2.gz GEAXDGJJDCTREJ-UHFFFAOYSA-N 1 0 290.323 1.206 20 10 CDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1ccc(Cl)cc1O)C2 ZINC001235998703 914527016 /nfs/dbraw/zinc/52/70/16/914527016.db2.gz YZAIIOKUHAJEML-ZWNOBZJWSA-N 1 0 252.745 1.969 20 10 CDCDRO CC[NH2+]CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001177237594 914547909 /nfs/dbraw/zinc/54/79/09/914547909.db2.gz FDIKONOYLHLRCA-UHFFFAOYSA-N 1 0 277.328 1.578 20 10 CDCDRO CCOc1cccc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c1O ZINC001204818986 907439963 /nfs/dbraw/zinc/43/99/63/907439963.db2.gz ASBRBRLAOQDHTF-MNOVXSKESA-N 1 0 254.305 1.272 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001206139868 910833346 /nfs/dbraw/zinc/83/33/46/910833346.db2.gz RLAQMYXQBYBEEI-LBPRGKRZSA-N 1 0 299.365 1.930 20 10 CDCDRO Oc1cc(O)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc1O ZINC001172219796 911455008 /nfs/dbraw/zinc/45/50/08/911455008.db2.gz NOGVMRRXKCVGSH-YOGCLGLASA-N 1 0 279.336 1.646 20 10 CDCDRO CCOCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172407298 911632973 /nfs/dbraw/zinc/63/29/73/911632973.db2.gz VRJSAKSWHYLOHZ-YGRLFVJLSA-N 1 0 269.341 1.536 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1c(C)cc(C)cc1O ZINC001180391556 916311975 /nfs/dbraw/zinc/31/19/75/916311975.db2.gz YXLDITIMJLDKDZ-UHFFFAOYSA-N 1 0 264.369 1.967 20 10 CDCDRO O=C(C1CCC1)N1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204279111 916593710 /nfs/dbraw/zinc/59/37/10/916593710.db2.gz QXPHLYFGHWUVOZ-UHFFFAOYSA-N 1 0 290.363 1.542 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206432440 916622081 /nfs/dbraw/zinc/62/20/81/916622081.db2.gz BWNAIYSSRYCZJS-RYUDHWBXSA-N 1 0 267.348 1.329 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1OC ZINC001206445235 916921847 /nfs/dbraw/zinc/92/18/47/916921847.db2.gz NXTNVCMKCXTGRF-MNOVXSKESA-N 1 0 284.331 1.281 20 10 CDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2c(O)ccc(F)c2F)C1 ZINC001206447444 916990955 /nfs/dbraw/zinc/99/09/55/916990955.db2.gz YBPOFISNHDGPNW-YUMQZZPRSA-N 1 0 260.259 1.542 20 10 CDCDRO CCOc1cccc(C[N@H+]2CCC(=O)N(C)CC2)c1O ZINC000827359865 936589093 /nfs/dbraw/zinc/58/90/93/936589093.db2.gz UJNUFNFOCPBRGE-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC001140055134 936674418 /nfs/dbraw/zinc/67/44/18/936674418.db2.gz KTGLWNKQZMLDNX-CABZTGNLSA-N 1 0 264.300 1.099 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c1 ZINC001203669995 920683990 /nfs/dbraw/zinc/68/39/90/920683990.db2.gz JMKWHBTXBIQXEM-RISCZKNCSA-N 1 0 265.353 1.994 20 10 CDCDRO CC(=O)N1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181966 936684872 /nfs/dbraw/zinc/68/48/72/936684872.db2.gz YRRTWIYJZQCKSI-UHFFFAOYSA-N 1 0 262.353 1.673 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140185398 936685298 /nfs/dbraw/zinc/68/52/98/936685298.db2.gz URRCAWLMEAIUBM-ZDUSSCGKSA-N 1 0 293.363 1.773 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC001140742730 936748556 /nfs/dbraw/zinc/74/85/56/936748556.db2.gz XBBJZWSWUPCUJY-UHFFFAOYSA-N 1 0 290.363 1.508 20 10 CDCDRO Cc1cc(CN2CC(C)([NH3+])C2)c(O)cc1Br ZINC001205000915 939812661 /nfs/dbraw/zinc/81/26/61/939812661.db2.gz MVEPAEOJQAIGSR-UHFFFAOYSA-N 1 0 285.185 1.996 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC001141030774 936794965 /nfs/dbraw/zinc/79/49/65/936794965.db2.gz KQBLADCWXOAGCP-NSHDSACASA-N 1 0 294.351 1.120 20 10 CDCDRO COc1cc(O)c(CN2CCC([NH+](C)C)CC2)c(OC)c1 ZINC001141031729 936795541 /nfs/dbraw/zinc/79/55/41/936795541.db2.gz IZJBNZHHULKRBE-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(O)C2)c(OC)c1 ZINC001141026562 936794118 /nfs/dbraw/zinc/79/41/18/936794118.db2.gz VAFIHKMIHVONIO-AWEZNQCLSA-N 1 0 267.325 1.366 20 10 CDCDRO Oc1ccc(O)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC001141159011 936822524 /nfs/dbraw/zinc/82/25/24/936822524.db2.gz VVDBZSBLJWSUEN-UHFFFAOYSA-N 1 0 262.353 1.625 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156100 936821371 /nfs/dbraw/zinc/82/13/71/936821371.db2.gz FFNYIADUGYUVEF-SECBINFHSA-N 1 0 251.282 1.093 20 10 CDCDRO O=C1NCC[C@@]12CCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141157036 936821435 /nfs/dbraw/zinc/82/14/35/936821435.db2.gz AVZGCUDHPJEINF-OAHLLOKOSA-N 1 0 276.336 1.200 20 10 CDCDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)N1 ZINC001141159583 936821969 /nfs/dbraw/zinc/82/19/69/936821969.db2.gz HIUNQOMCMRNFTD-INIZCTEOSA-N 1 0 290.363 1.733 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@](C)(CO)C3)ccc21 ZINC001141140177 936818400 /nfs/dbraw/zinc/81/84/00/936818400.db2.gz IWTFNKMMPBNKCJ-INIZCTEOSA-N 1 0 276.380 1.720 20 10 CDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140054 936818448 /nfs/dbraw/zinc/81/84/48/936818448.db2.gz HSCJAWYDYMQQCE-TZMCWYRMSA-N 1 0 276.380 1.860 20 10 CDCDRO CN1CCOc2cc(C[NH+]3CC4(CC(O)C4)C3)ccc21 ZINC001141141346 936819017 /nfs/dbraw/zinc/81/90/17/936819017.db2.gz XNMCKCVLIMCFRL-UHFFFAOYSA-N 1 0 274.364 1.472 20 10 CDCDRO COc1cc(C(=O)NCCCCC[NH+](C)C)cc(O)c1O ZINC001193114580 923461527 /nfs/dbraw/zinc/46/15/27/923461527.db2.gz WNLHOAUJTDBBHZ-UHFFFAOYSA-N 1 0 296.367 1.568 20 10 CDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000227981981 936842966 /nfs/dbraw/zinc/84/29/66/936842966.db2.gz NDMYGBJYQKDGIV-WMLDXEAASA-N 1 0 290.407 1.916 20 10 CDCDRO COc1cc(CN2C[C@H](C)CC[C@@H]2C[NH3+])cc(O)c1O ZINC001205804941 925153306 /nfs/dbraw/zinc/15/33/06/925153306.db2.gz OYAKRIXUAJNTDU-ZYHUDNBSSA-N 1 0 280.368 1.666 20 10 CDCDRO Oc1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1O ZINC001203879767 925160670 /nfs/dbraw/zinc/16/06/70/925160670.db2.gz ZUAKUBWTQSMEAA-AWEZNQCLSA-N 1 0 292.379 1.394 20 10 CDCDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(O)c(O)c1 ZINC001168984321 927573083 /nfs/dbraw/zinc/57/30/83/927573083.db2.gz LYWRNZWHXLWDDE-KOLCDFICSA-N 1 0 294.307 1.316 20 10 CDCDRO CCN(Cc1ccccc1O)C[C@@H](O)C[NH+](CC)CC ZINC001253192939 929926477 /nfs/dbraw/zinc/92/64/77/929926477.db2.gz CCUBEZAYNRBHQW-HNNXBMFYSA-N 1 0 280.412 1.917 20 10 CDCDRO COc1cccc(CN2C[C@H]([NH3+])CC(F)(F)C2)c1O ZINC001206117173 931674661 /nfs/dbraw/zinc/67/46/61/931674661.db2.gz JYASGBFTOGAYEJ-SNVBAGLBSA-N 1 0 272.295 1.569 20 10 CDCDRO CN1CCC([N@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144499545 931857896 /nfs/dbraw/zinc/85/78/96/931857896.db2.gz ICTFDFNWHFOAAR-UHFFFAOYSA-N 1 0 266.341 1.329 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144504355 931864823 /nfs/dbraw/zinc/86/48/23/931864823.db2.gz QRJMPFUGLOSHGU-VIFPVBQESA-N 1 0 253.298 1.272 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCN3CCCC[C@H]3C2)c(O)c1 ZINC001144508927 931874285 /nfs/dbraw/zinc/87/42/85/931874285.db2.gz DNQQYBCTEBOWOK-NSHDSACASA-N 1 0 278.352 1.474 20 10 CDCDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514588 931877175 /nfs/dbraw/zinc/87/71/75/931877175.db2.gz LIOWPNWOJWCWJB-UWVGGRQHSA-N 1 0 295.335 1.434 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c(O)c1 ZINC001144515791 931881119 /nfs/dbraw/zinc/88/11/19/931881119.db2.gz YZFXEEPEQSGEDG-SNVBAGLBSA-N 1 0 297.326 1.896 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)ccc1O ZINC001275906284 932123928 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Cc1cc(O)c(CN2C[C@H]3CN(C)C[C@@H](C2)O3)cc1Cl ZINC001276372196 935698567 /nfs/dbraw/zinc/69/85/67/935698567.db2.gz IXVCRUWKNVOVSV-BETUJISGSA-N 1 0 296.798 1.869 20 10 CDCDRO Oc1ccc(CNc2ncnc3c2CC[NH2+]C3)cc1O ZINC001158994323 938686019 /nfs/dbraw/zinc/68/60/19/938686019.db2.gz ICARWLQOIKDHQE-UHFFFAOYSA-N 1 0 272.308 1.146 20 10 CDCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC001203562925 939693298 /nfs/dbraw/zinc/69/32/98/939693298.db2.gz PLWNFWQAOONSHH-GXTWGEPZSA-N 1 0 274.364 1.835 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c(O)c1 ZINC001203634411 939698880 /nfs/dbraw/zinc/69/88/80/939698880.db2.gz DWKVXIYTCPKJCP-SWLSCSKDSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H](O)C2)c1 ZINC001203670689 939700234 /nfs/dbraw/zinc/70/02/34/939700234.db2.gz WIJNYLCRMPNHHF-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(O)cc1O ZINC001204272447 939749879 /nfs/dbraw/zinc/74/98/79/939749879.db2.gz ANEKDJBDUXTSIV-MRXNPFEDSA-N 1 0 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280.368 1.634 20 10 CDCDRO C[C@@]1([NH3+])CCN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001204782930 939790584 /nfs/dbraw/zinc/79/05/84/939790584.db2.gz MEBYRGMJBMZXMD-QGZVFWFLSA-N 1 0 289.423 1.571 20 10 CDCDRO [NH3+][C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001205101467 939822402 /nfs/dbraw/zinc/82/24/02/939822402.db2.gz GCHSYOSRRFHAQX-SECBINFHSA-N 1 0 256.296 1.984 20 10 CDCDRO CC(C)(C)c1ccc(O)c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1 ZINC001206102085 939981179 /nfs/dbraw/zinc/98/11/79/939981179.db2.gz MOIQCCUPBPJCKT-UKRRQHHQSA-N 1 0 278.396 1.584 20 10 CDCDRO Cc1cc(Cl)cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206109945 939981572 /nfs/dbraw/zinc/98/15/72/939981572.db2.gz JMQGDWYFJRMVCC-VXGBXAGGSA-N 1 0 270.760 1.248 20 10 CDCDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000404867292 940968609 /nfs/dbraw/zinc/96/86/09/940968609.db2.gz ARQNVBZKLCJWLY-HNNXBMFYSA-N 1 0 275.396 1.754 20 10 CDCDRO COc1cc(C)c(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001276806995 941376954 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Cc1cc(CN2CC[NH2+][C@@H](CO)C2)c(C)n1-c1ccccc1 ZINC001235752971 944266396 /nfs/dbraw/zinc/26/63/96/944266396.db2.gz VWTXFHLTCLMSPY-QGZVFWFLSA-N 1 0 299.418 1.860 20 10 CDCDRO CN1CCOc2cc(CN3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235998729 944367241 /nfs/dbraw/zinc/36/72/41/944367241.db2.gz ZDUSNTWVPUDBAK-XJKSGUPXSA-N 1 0 273.380 1.438 20 10 CDCDRO COCCOc1ccc(N2CCN(C[C@H](C)[NH3+])CC2)cc1 ZINC001236159810 944418031 /nfs/dbraw/zinc/41/80/31/944418031.db2.gz XXNPPQMGUSVNGK-AWEZNQCLSA-N 1 0 293.411 1.181 20 10 CDCDRO C[N@H+](CCO)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001236256170 944439428 /nfs/dbraw/zinc/43/94/28/944439428.db2.gz MVTRKDLLVHDJCE-UHFFFAOYSA-N 1 0 284.787 1.601 20 10 CDCDRO COc1ccc2ccc(O)c(CN3C[C@@H]4C[NH2+]C[C@H]43)c2c1 ZINC001236292215 944451396 /nfs/dbraw/zinc/45/13/96/944451396.db2.gz MYNZHEAPIZGRGZ-BLLLJJGKSA-N 1 0 284.359 1.958 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC001236808094 944576158 /nfs/dbraw/zinc/57/61/58/944576158.db2.gz MGXWCXRPXTUCEP-AWEZNQCLSA-N 1 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CTJMSHBCWLPMEB-UHFFFAOYSA-N 1 0 279.336 1.366 20 10 CDCDRO Cc1cc(F)cc(CN2CCN3C(=O)OC[C@H]3C2)c1O ZINC001238065910 945048265 /nfs/dbraw/zinc/04/82/65/945048265.db2.gz CJOWSXJVSKCTCJ-GFCCVEGCSA-N 1 0 280.299 1.476 20 10 CDCDRO O=c1cc(-c2cnn(C3C[NH2+]C3)c2)ccn1CC1CC1 ZINC001241614329 946391293 /nfs/dbraw/zinc/39/12/93/946391293.db2.gz MELYBCJCAYLMDZ-UHFFFAOYSA-N 1 0 270.336 1.266 20 10 CDCDRO Cn1c(=O)cc(-c2cnn(C3C[NH2+]C3)c2)c2ccccc21 ZINC001241620213 946396656 /nfs/dbraw/zinc/39/66/56/946396656.db2.gz IYVBFDZWKRPEIV-UHFFFAOYSA-N 1 0 280.331 1.546 20 10 CDCDRO CC[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC001262603846 946759476 /nfs/dbraw/zinc/75/94/76/946759476.db2.gz XCUCKBQIJGLVFR-GXTWGEPZSA-N 1 0 276.384 1.538 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)c(C)n[nH]c2=O)c1 ZINC001254183925 947322231 /nfs/dbraw/zinc/32/22/31/947322231.db2.gz GSXMWWBZLJDKOM-UHFFFAOYSA-N 1 0 289.335 1.803 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000723703587 947821535 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C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c(F)ccc(O)c3O)[C@@H]2C1 ZINC001326673157 954484039 /nfs/dbraw/zinc/48/40/39/954484039.db2.gz AJYOELQRTNNTJF-GXSJLCMTSA-N 1 0 294.326 1.403 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(OCC(N)=O)CC2)c1O ZINC001327721532 955012673 /nfs/dbraw/zinc/01/26/73/955012673.db2.gz MCKBZLIKSBWINA-UHFFFAOYSA-N 1 0 292.379 1.421 20 10 CDCDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(N)cc1 ZINC001336286544 955402992 /nfs/dbraw/zinc/40/29/92/955402992.db2.gz RPNYTTYJOYLOCS-MRXNPFEDSA-N 1 0 296.411 1.503 20 10 CDCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001308822507 956586125 /nfs/dbraw/zinc/58/61/25/956586125.db2.gz HGRWULKFMUQSSN-GDBMZVCRSA-N 1 0 279.380 1.691 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(CO)CO ZINC001323320696 960643644 /nfs/dbraw/zinc/64/36/44/960643644.db2.gz DJECOQWXBVZAKJ-UHFFFAOYSA-N 1 0 292.423 1.710 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](O)C(C)C)c(O)c1OC ZINC001351998317 967052396 /nfs/dbraw/zinc/05/23/96/967052396.db2.gz RDKMXQGGEKAMFT-LLVKDONJSA-N 1 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/nfs/dbraw/zinc/25/36/75/356253675.db2.gz KFYBGPJZROMKDV-NXEZZACHSA-N 1 0 266.341 1.576 20 10 CDCDRO CCOCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179915768 357229112 /nfs/dbraw/zinc/22/91/12/357229112.db2.gz LGPHYDBSMSWMGX-UHFFFAOYSA-N 1 0 282.359 1.685 20 10 CDCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000179912213 357230107 /nfs/dbraw/zinc/23/01/07/357230107.db2.gz NLINRRZRAGSIKR-UHFFFAOYSA-N 1 0 267.300 1.870 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000180560027 357275229 /nfs/dbraw/zinc/27/52/29/357275229.db2.gz UPZPLJZNEKNXPL-GFCCVEGCSA-N 1 0 262.353 1.788 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000195008165 358405206 /nfs/dbraw/zinc/40/52/06/358405206.db2.gz RBTOWCASOPMXHD-QPUJVOFHSA-N 1 0 298.770 1.668 20 10 CDCDRO COc1cccc(C[N@H+](C)CC(C)(C)CO)c1O ZINC000294897185 199236835 /nfs/dbraw/zinc/23/68/35/199236835.db2.gz WYTNGQOXSLGXJQ-UHFFFAOYSA-N 1 0 253.342 1.851 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1O ZINC000297346152 200156692 /nfs/dbraw/zinc/15/66/92/200156692.db2.gz OUQLXCZNWANRJB-ZIAGYGMSSA-N 1 0 278.396 1.890 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C2(CO)CCOCC2)c1 ZINC000227213645 359802682 /nfs/dbraw/zinc/80/26/82/359802682.db2.gz AGXYMKSSLYNPEC-UHFFFAOYSA-N 1 0 251.326 1.332 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282462241 364112636 /nfs/dbraw/zinc/11/26/36/364112636.db2.gz VSDJFGIHMIRNIG-GIGQVBGESA-N 1 0 283.393 1.963 20 10 CDCDRO CN(C)c1ccc(CN(C)Cc2nncn2C)cc1 ZINC000269448010 364196924 /nfs/dbraw/zinc/19/69/24/364196924.db2.gz FYSWNFTWMKEWCT-UHFFFAOYSA-N 1 0 259.357 1.513 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1O ZINC000271277870 364980100 /nfs/dbraw/zinc/98/01/00/364980100.db2.gz OUUSADQMXYOIEU-DGCLKSJQSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)c1 ZINC000168868071 365008521 /nfs/dbraw/zinc/00/85/21/365008521.db2.gz CRCXFTRKWGOHBI-JJQCHNSYSA-N 1 0 271.382 1.818 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000378441540 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ZINC000226563307 370566896 /nfs/dbraw/zinc/56/68/96/370566896.db2.gz IKHFEMGMIGWDCC-UHFFFAOYSA-N 1 0 280.343 1.879 20 10 CDCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1C1CC1 ZINC000296785687 378747789 /nfs/dbraw/zinc/74/77/89/378747789.db2.gz KWTUHXGNJCPQPS-WCQYABFASA-N 1 0 272.348 1.732 20 10 CDCDRO COc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c1O ZINC000105650936 390515710 /nfs/dbraw/zinc/51/57/10/390515710.db2.gz HZUHOZCGCYGIEN-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cc(OC)ccc1O ZINC000133293134 390903043 /nfs/dbraw/zinc/90/30/43/390903043.db2.gz KNOLHDIQDNBYIJ-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1OCCO1 ZINC000181972838 391228938 /nfs/dbraw/zinc/22/89/38/391228938.db2.gz QEHMRGZLGNZYPU-UHFFFAOYSA-N 1 0 292.379 1.328 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000183628472 391268352 /nfs/dbraw/zinc/26/83/52/391268352.db2.gz OFLQCWSQNIABOP-VXGBXAGGSA-N 1 0 298.408 1.324 20 10 CDCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](C)O ZINC000281884209 391418719 /nfs/dbraw/zinc/41/87/19/391418719.db2.gz DFKCCUPVQNYURY-VIFPVBQESA-N 1 0 287.743 1.401 20 10 CDCDRO CCOc1cccc(CN(C)[C@@H]2CC[NH2+]C2)c1O ZINC000071309212 176116736 /nfs/dbraw/zinc/11/67/36/176116736.db2.gz LXVFGRWJMZRALE-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)CCN2CCOCC2)cc1C ZINC000071920483 176300405 /nfs/dbraw/zinc/30/04/05/176300405.db2.gz YRRLIBPNSVMHIP-UHFFFAOYSA-N 1 0 278.396 1.773 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000154994902 261096895 /nfs/dbraw/zinc/09/68/95/261096895.db2.gz OZIDUBZAWUBFLA-LLVKDONJSA-N 1 0 264.325 1.098 20 10 CDCDRO C[C@H]([NH2+]CCOCCO)c1cc2c(cc1O)CCCC2 ZINC000184886880 262032364 /nfs/dbraw/zinc/03/23/64/262032364.db2.gz ZYFAFEAJRJCSNJ-LBPRGKRZSA-N 1 0 279.380 1.931 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1cc(Cl)ccc1O ZINC000186235214 262085582 /nfs/dbraw/zinc/08/55/82/262085582.db2.gz FEMDBVUHRHWVRS-SNVBAGLBSA-N 1 0 298.770 1.555 20 10 CDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000368964115 267215572 /nfs/dbraw/zinc/21/55/72/267215572.db2.gz DZOPDELIIOKQEW-BHYNMZESSA-N 1 0 278.327 1.617 20 10 CDCDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc(F)ccc3O)C2)cn1 ZINC000371496120 267417312 /nfs/dbraw/zinc/41/73/12/267417312.db2.gz HMHZWCSSWFERBH-ZDUSSCGKSA-N 1 0 290.342 1.633 20 10 CDCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)n(C)n1 ZINC000283800525 328244925 /nfs/dbraw/zinc/24/49/25/328244925.db2.gz BNCFNKSXOCHJRG-UHFFFAOYSA-N 1 0 257.337 1.953 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287330667 328250844 /nfs/dbraw/zinc/25/08/44/328250844.db2.gz FYEMHEWSKGUNKR-LBPRGKRZSA-N 1 0 295.379 1.983 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377698882 329025499 /nfs/dbraw/zinc/02/54/99/329025499.db2.gz MXCOFCSOJJRKHZ-HIFRSBDPSA-N 1 0 263.337 1.772 20 10 CDCDRO COc1cccc(C[NH2+]CCOCC(F)F)c1O ZINC000190889490 329401904 /nfs/dbraw/zinc/40/19/04/329401904.db2.gz WWLONQKGQBZXTO-UHFFFAOYSA-N 1 0 261.268 1.772 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CC(=O)NC2CC2)c1O ZINC000229050308 333300325 /nfs/dbraw/zinc/30/03/25/333300325.db2.gz KBBRPUJWGJPSRS-UHFFFAOYSA-N 1 0 284.743 1.422 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1 ZINC000135204694 334119675 /nfs/dbraw/zinc/11/96/75/334119675.db2.gz VKVIYUQZRFAUCM-NXEZZACHSA-N 1 0 265.309 1.636 20 10 CDCDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(N)cc1 ZINC000251825874 334370533 /nfs/dbraw/zinc/37/05/33/334370533.db2.gz PFTWSXAKJXMKFB-DOMZBBRYSA-N 1 0 273.380 1.506 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000252539957 334382513 /nfs/dbraw/zinc/38/25/13/334382513.db2.gz CAPDFOSQWUAFLH-DZGCQCFKSA-N 1 0 292.379 1.354 20 10 CDCDRO CCCN(CN1CCC(=O)CC1)c1ccc(C[NH3+])cc1 ZINC000278302464 521674694 /nfs/dbraw/zinc/67/46/94/521674694.db2.gz DNYOUHPISHYRME-UHFFFAOYSA-N 1 0 275.396 1.984 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000290268718 524010539 /nfs/dbraw/zinc/01/05/39/524010539.db2.gz VXZNWLJLSFSXRG-WLTAIBSBSA-N 1 0 255.289 1.596 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(N)cc1 ZINC000049560564 524160755 /nfs/dbraw/zinc/16/07/55/524160755.db2.gz KENJQWQNNOBTHF-SNVBAGLBSA-N 1 0 250.346 1.731 20 10 CDCDRO COc1ccc(O)c(CN(C)CC[N@H+](C)C2CC2)c1 ZINC000290290485 524733876 /nfs/dbraw/zinc/73/38/76/524733876.db2.gz AGTIDINKKBOHFC-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000367724032 524734835 /nfs/dbraw/zinc/73/48/35/524734835.db2.gz NZXMWGBTGVZEIL-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275690333 524744588 /nfs/dbraw/zinc/74/45/88/524744588.db2.gz ASASWIXMKUFZCF-CQSZACIVSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000278590070 524756819 /nfs/dbraw/zinc/75/68/19/524756819.db2.gz DUFMYDHILRGYLL-CQSZACIVSA-N 1 0 267.325 1.032 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000038083398 525392035 /nfs/dbraw/zinc/39/20/35/525392035.db2.gz ILYMOGJWYUVPTK-STQMWFEESA-N 1 0 296.436 1.838 20 10 CDCDRO COc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1O ZINC000280031053 526000672 /nfs/dbraw/zinc/00/06/72/526000672.db2.gz YUBNQRKMMNSOMU-CYBMUJFWSA-N 1 0 290.363 1.644 20 10 CDCDRO COc1cccc(C[NH2+]CCN2CC=CCC2)c1O ZINC000279828649 526015933 /nfs/dbraw/zinc/01/59/33/526015933.db2.gz PZSOYWQGCRJQOC-UHFFFAOYSA-N 1 0 262.353 1.752 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649626 527477288 /nfs/dbraw/zinc/47/72/88/527477288.db2.gz RAPNKMAGNOFFPJ-CYBMUJFWSA-N 1 0 273.380 1.412 20 10 CDCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCOC1 ZINC000280216196 527606527 /nfs/dbraw/zinc/60/65/27/527606527.db2.gz GAWWQDKCPOSIQQ-GJZGRUSLSA-N 1 0 277.364 1.356 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000730818412 575012485 /nfs/dbraw/zinc/01/24/85/575012485.db2.gz UTKPVWAWHXBRMY-ZDUSSCGKSA-N 1 0 284.787 1.856 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c(O)c1 ZINC000770287129 575437018 /nfs/dbraw/zinc/43/70/18/575437018.db2.gz SPRJLEMKRASPEI-LBPRGKRZSA-N 1 0 291.351 1.000 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCNC2=O)c1O ZINC000770384873 575443692 /nfs/dbraw/zinc/44/36/92/575443692.db2.gz ZPOTYCUSBPJFQI-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)CCC(=O)NC)cc1 ZINC000773747833 575837475 /nfs/dbraw/zinc/83/74/75/575837475.db2.gz JQRVRCAKENPNER-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769484844 576358488 /nfs/dbraw/zinc/35/84/88/576358488.db2.gz VPDCBZZCLNTKMI-LLVKDONJSA-N 1 0 279.336 1.928 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCc2ccn(C)n2)cc1OC ZINC000761225881 576561190 /nfs/dbraw/zinc/56/11/90/576561190.db2.gz JOGTVZHEEUETSZ-UHFFFAOYSA-N 1 0 291.351 1.475 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)ccc1O ZINC000757926790 577061397 /nfs/dbraw/zinc/06/13/97/577061397.db2.gz OOYFNTSQGKWYTR-HNNXBMFYSA-N 1 0 297.351 1.459 20 10 CDCDRO C[NH+](C)C1(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761526 617321689 /nfs/dbraw/zinc/32/16/89/617321689.db2.gz UYRKCWKBJYKVCZ-UHFFFAOYSA-N 1 0 268.744 1.756 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H](C)[NH3+] ZINC000892146188 617506576 /nfs/dbraw/zinc/50/65/76/617506576.db2.gz NTFIZIKSOMHCAX-AEJSXWLSSA-N 1 0 251.330 1.488 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCN(C)C1=O ZINC000840935480 617607836 /nfs/dbraw/zinc/60/78/36/617607836.db2.gz QSRGXCOLVCMKRX-HNNXBMFYSA-N 1 0 275.396 1.771 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000922591195 618277458 /nfs/dbraw/zinc/27/74/58/618277458.db2.gz QNKSJNPACOQMGK-MRXNPFEDSA-N 1 0 291.439 1.953 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCn2ccnc2)c1O ZINC000894147262 618628266 /nfs/dbraw/zinc/62/82/66/618628266.db2.gz JFFASWSRXRRROZ-UHFFFAOYSA-N 1 0 261.325 1.696 20 10 CDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841041439 618677450 /nfs/dbraw/zinc/67/74/50/618677450.db2.gz CCMIAXVSMWXKMX-NSHDSACASA-N 1 0 292.383 1.054 20 10 CDCDRO CN(C)c1ccc(CN[C@@H](CC[NH3+])C(F)F)cc1 ZINC000841071950 618681170 /nfs/dbraw/zinc/68/11/70/618681170.db2.gz KGKXGOCZOWBLSM-LBPRGKRZSA-N 1 0 257.328 1.825 20 10 CDCDRO COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1(F)F ZINC000894213678 618729277 /nfs/dbraw/zinc/72/92/77/618729277.db2.gz PKACJZJUKLUENS-WCQYABFASA-N 1 0 297.301 1.765 20 10 CDCDRO CC[C@H](O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894352112 618811650 /nfs/dbraw/zinc/81/16/50/618811650.db2.gz KRMRSCOWRFCUFZ-LBPRGKRZSA-N 1 0 253.342 1.960 20 10 CDCDRO CN(Cc1c[nH]cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000894462575 618900705 /nfs/dbraw/zinc/90/07/05/618900705.db2.gz YVJUPKVBHJHYAA-UHFFFAOYSA-N 1 0 274.368 1.987 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCN(CCO)[C@H](C)C2)c1O ZINC000894503570 618924510 /nfs/dbraw/zinc/92/45/10/618924510.db2.gz JWLOYKSLTFVHPG-CYBMUJFWSA-N 1 0 294.395 1.208 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](C)CCCO)c(O)c1OC ZINC000894681768 619014628 /nfs/dbraw/zinc/01/46/28/619014628.db2.gz JXHFBQJFWYIQKF-LLVKDONJSA-N 1 0 283.368 1.908 20 10 CDCDRO COc1ccc(C[N@H+](C)CC(C)(C)CO)c(O)c1OC ZINC000894688394 619019560 /nfs/dbraw/zinc/01/95/60/619019560.db2.gz RVJKYHGTVGSBKS-UHFFFAOYSA-N 1 0 283.368 1.860 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2COCO2)c1O ZINC000894869862 619111507 /nfs/dbraw/zinc/11/15/07/619111507.db2.gz FSDITFUJGWRHSJ-NSHDSACASA-N 1 0 253.298 1.253 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H](C)O ZINC000894904463 619136291 /nfs/dbraw/zinc/13/62/91/619136291.db2.gz INHPUEDAHWJXMB-ZYHUDNBSSA-N 1 0 253.342 1.958 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000897890512 621195807 /nfs/dbraw/zinc/19/58/07/621195807.db2.gz QKAOOGAAVVWUKB-HZPDHXFCSA-N 1 0 278.396 1.955 20 10 CDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(C)c1O ZINC000898546734 621788182 /nfs/dbraw/zinc/78/81/82/621788182.db2.gz YBHCFEBHCCGQHG-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCCOCC2)c1O ZINC000903226520 625898495 /nfs/dbraw/zinc/89/84/95/625898495.db2.gz GRCRFUMAUULUEI-CYBMUJFWSA-N 1 0 294.395 1.774 20 10 CDCDRO C[C@@H](C(=O)NCc1ccc(O)cc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000910954577 629117124 /nfs/dbraw/zinc/11/71/24/629117124.db2.gz LJBKZVKTGWEICZ-UTUOFQBUSA-N 1 0 292.379 1.975 20 10 CDCDRO C[C@H](C(=O)NCc1ccc(O)cc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000910954569 629117148 /nfs/dbraw/zinc/11/71/48/629117148.db2.gz LJBKZVKTGWEICZ-IJLUTSLNSA-N 1 0 292.379 1.975 20 10 CDCDRO CC[N@H+](CC(=O)NCc1cccc(OC)c1O)C1CC1 ZINC000153999782 631997628 /nfs/dbraw/zinc/99/76/28/631997628.db2.gz HEYMPUSZEXZZAJ-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000925431606 632098412 /nfs/dbraw/zinc/09/84/12/632098412.db2.gz XSTKOBYVXJVCOO-LLVKDONJSA-N 1 0 283.759 1.549 20 10 CDCDRO O=C(N[C@]12CCC[C@H]1C[NH2+]C2)C1=CC(=O)CS1 ZINC001580756775 1172532568 /nfs/dbraw/zinc/53/25/68/1172532568.db2.gz KZVRKQGXWFZKPM-UFBFGSQYSA-N 1 0 252.339 1.326 20 10 CDCDRO O=C(NCC[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC000134294235 1175814810 /nfs/dbraw/zinc/81/48/10/1175814810.db2.gz YUFYBBQAAAKPMX-UHFFFAOYSA-N 1 0 287.407 1.903 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000155011795 1178153742 /nfs/dbraw/zinc/15/37/42/1178153742.db2.gz XUDVMCGORBPTOS-NSHDSACASA-N 1 0 264.325 1.098 20 10 CDCDRO COc1ccc(N2CCN(Cc3cccc(N)n3)CC2)cc1 ZINC000317466420 1186761071 /nfs/dbraw/zinc/76/10/71/1186761071.db2.gz PLOSNRRLVNDBOP-UHFFFAOYSA-N 1 0 298.390 1.995 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccccc1O ZINC000834851297 782239061 /nfs/dbraw/zinc/23/90/61/782239061.db2.gz WPRVBAMOLFVRGZ-KGLIPLIRSA-N 1 0 278.396 1.890 20 10 CDCDRO CNC(=[NH2+])NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000849039890 782288750 /nfs/dbraw/zinc/28/87/50/782288750.db2.gz XDOMBPHZIZQHIJ-UHFFFAOYSA-N 1 0 284.310 1.045 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000873215576 782399789 /nfs/dbraw/zinc/39/97/89/782399789.db2.gz DAQLCXWYPRCWQV-BETUJISGSA-N 1 0 263.360 1.828 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(OC)CCOC2)cc1C ZINC000122917270 1165135872 /nfs/dbraw/zinc/13/58/72/1165135872.db2.gz CDQZQZHLHMQKGQ-OAHLLOKOSA-N 1 0 265.353 1.899 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037262457 1165762972 /nfs/dbraw/zinc/76/29/72/1165762972.db2.gz JLOWLOKECRRYBW-UHFFFAOYSA-N 1 0 261.369 1.513 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)N(C)C ZINC000037267788 1165763048 /nfs/dbraw/zinc/76/30/48/1165763048.db2.gz YJTIUQKQHUBSRA-ZDUSSCGKSA-N 1 0 275.396 1.853 20 10 CDCDRO COc1c([O-])c(C[NH2+]C(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000835070005 782638987 /nfs/dbraw/zinc/63/89/87/782638987.db2.gz OSRUAIRDWJOWNG-UHFFFAOYSA-N 1 0 297.355 1.739 20 10 CDCDRO COCC[NH2+]CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817965060 782678507 /nfs/dbraw/zinc/67/85/07/782678507.db2.gz OOSPXAIPTWOQKF-ZDUSSCGKSA-N 1 0 265.401 1.639 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)ccc1N(C)C ZINC000815099843 782701903 /nfs/dbraw/zinc/70/19/03/782701903.db2.gz MXQZRXVEOYCWML-GOEBONIOSA-N 1 0 260.381 1.875 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+][C@]34C[C@H]3COC4)cc2)CC1 ZINC000886199247 782807178 /nfs/dbraw/zinc/80/71/78/782807178.db2.gz PJVDQTXUPZJSCN-YOEHRIQHSA-N 1 0 288.391 1.526 20 10 CDCDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(O)c1O ZINC000097933603 782822544 /nfs/dbraw/zinc/82/25/44/782822544.db2.gz PHFWRJHREJVIFY-UHFFFAOYSA-N 1 0 278.352 1.654 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000877625059 782842980 /nfs/dbraw/zinc/84/29/80/782842980.db2.gz HEOMVDMVLLYSJS-LBPRGKRZSA-N 1 0 276.336 1.727 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000841953933 782854822 /nfs/dbraw/zinc/85/48/22/782854822.db2.gz GEVZQQJSUJQEFL-UHFFFAOYSA-N 1 0 290.411 1.549 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c(O)c1 ZINC000877578419 782865604 /nfs/dbraw/zinc/86/56/04/782865604.db2.gz CJLFWYKJYPEBIS-KGLIPLIRSA-N 1 0 274.364 1.944 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000817413271 782933675 /nfs/dbraw/zinc/93/36/75/782933675.db2.gz VKJSBPCBLQYBAY-RYUDHWBXSA-N 1 0 265.353 1.851 20 10 CDCDRO COc1ccc(CNC(=O)NCCC[NH2+]C(C)C)c(O)c1 ZINC000841932808 782951821 /nfs/dbraw/zinc/95/18/21/782951821.db2.gz SQTOPGVBPXWIPJ-UHFFFAOYSA-N 1 0 295.383 1.588 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CC(C)(C(=O)OC)C2)c1 ZINC000822534554 783137822 /nfs/dbraw/zinc/13/78/22/783137822.db2.gz MEBIUMKIDKQDNU-UHFFFAOYSA-N 1 0 279.336 1.786 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877120740 1165978989 /nfs/dbraw/zinc/97/89/89/1165978989.db2.gz UPTYAZKEIBYAMV-QWHCGFSZSA-N 1 0 262.353 1.705 20 10 CDCDRO CC(C)(O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877422832 1166034084 /nfs/dbraw/zinc/03/40/84/1166034084.db2.gz YQKWPVATDZAWAF-UHFFFAOYSA-N 1 0 292.423 1.898 20 10 CDCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000164287374 780227888 /nfs/dbraw/zinc/22/78/88/780227888.db2.gz FSSFKQVUYKKDNM-PWJLMRLQSA-N 1 0 261.774 1.902 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(N(C)C)CC1 ZINC000841891821 780280799 /nfs/dbraw/zinc/28/07/99/780280799.db2.gz PMWQVSODMYWFTR-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO CCOc1ccc(CN2CCC[C@@H]2C[NH3+])c(O)c1 ZINC000843054604 780280829 /nfs/dbraw/zinc/28/08/29/780280829.db2.gz WCWXUSMSMXVUIZ-GFCCVEGCSA-N 1 0 250.342 1.714 20 10 CDCDRO COc1cccc(C[NH2+]CCC[S@@](C)=O)c1O ZINC000116919197 780283584 /nfs/dbraw/zinc/28/35/84/780283584.db2.gz NNOUUXYZRPOHPJ-KRWDZBQOSA-N 1 0 257.355 1.259 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cn(C)nn2)c(O)c1 ZINC000815615402 780337924 /nfs/dbraw/zinc/33/79/24/780337924.db2.gz PAZMGIFNDYGRLS-LLVKDONJSA-N 1 0 260.341 1.988 20 10 CDCDRO CCN(C)c1ccc(Cn2cc(CC[NH3+])nn2)cc1 ZINC000881313203 780462814 /nfs/dbraw/zinc/46/28/14/780462814.db2.gz CZHVEVDZJHYXHR-UHFFFAOYSA-N 1 0 259.357 1.284 20 10 CDCDRO C[C@H]1[NH2+]CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000843056924 780530013 /nfs/dbraw/zinc/53/00/13/780530013.db2.gz CHDJOYQACWLBBM-HUUCEWRRSA-N 1 0 289.423 1.705 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C(=O)N(C)C ZINC000840941675 780699119 /nfs/dbraw/zinc/69/91/19/780699119.db2.gz HEPQKLBFPZXKQL-LBPRGKRZSA-N 1 0 263.385 1.627 20 10 CDCDRO CN(Cc1cc2c(cc1O)OCO2)C1(C[NH3+])CCC1 ZINC000843125069 780829055 /nfs/dbraw/zinc/82/90/55/780829055.db2.gz MTTXXVRXMWBYML-UHFFFAOYSA-N 1 0 264.325 1.434 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)c(O)c1 ZINC000922641457 780897071 /nfs/dbraw/zinc/89/70/71/780897071.db2.gz LTCBOJNBBFDEHM-GXFFZTMASA-N 1 0 251.326 1.915 20 10 CDCDRO C[C@H]1CC[C@H](NCc2ccc(N3CCOCC3)cc2)C[NH2+]1 ZINC000863483428 780897707 /nfs/dbraw/zinc/89/77/07/780897707.db2.gz AUOKKLFXVZVAAS-HOCLYGCPSA-N 1 0 289.423 1.753 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000876740361 781005240 /nfs/dbraw/zinc/00/52/40/781005240.db2.gz LWEWBOOHJOQMJR-JTQLQIEISA-N 1 0 267.348 1.506 20 10 CDCDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc(N)cc1 ZINC000308667976 781013981 /nfs/dbraw/zinc/01/39/81/781013981.db2.gz QVELFODQYGFSMW-UHFFFAOYSA-N 1 0 250.346 1.731 20 10 CDCDRO Cn1nncc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000394899402 781036578 /nfs/dbraw/zinc/03/65/78/781036578.db2.gz FUKUEOMDVGXLNT-UHFFFAOYSA-N 1 0 252.705 1.464 20 10 CDCDRO O=S(=O)(CC[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000840882701 781135725 /nfs/dbraw/zinc/13/57/25/781135725.db2.gz JWEGDVWXSODIFI-GFCCVEGCSA-N 1 0 281.377 1.546 20 10 CDCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)c(O)c1 ZINC000877591243 781259684 /nfs/dbraw/zinc/25/96/84/781259684.db2.gz PZCZJUWQWUXFLP-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C(=O)N(C)OC)c1 ZINC000858325423 781276831 /nfs/dbraw/zinc/27/68/31/781276831.db2.gz XQWNGCRBSZWRLR-SNVBAGLBSA-N 1 0 282.340 1.289 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090951390 781318943 /nfs/dbraw/zinc/31/89/43/781318943.db2.gz VDRWVQGYZDQDRN-WFASDCNBSA-N 1 0 266.385 1.801 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@H]2CO)cc1 ZINC000785760921 781344533 /nfs/dbraw/zinc/34/45/33/781344533.db2.gz ORFDSLSTJJJTGJ-CQSZACIVSA-N 1 0 266.410 1.662 20 10 CDCDRO CC[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293635 781427686 /nfs/dbraw/zinc/42/76/86/781427686.db2.gz ZKHFWJKIDFPFBB-RISCZKNCSA-N 1 0 263.385 1.915 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CO)CC(F)F)c1O ZINC000717754986 781472446 /nfs/dbraw/zinc/47/24/46/781472446.db2.gz MHMXNWBTXKELDA-SECBINFHSA-N 1 0 261.268 1.507 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1 ZINC000862427867 781534119 /nfs/dbraw/zinc/53/41/19/781534119.db2.gz GGPCOOFMFWUEJL-ZDUSSCGKSA-N 1 0 262.353 1.753 20 10 CDCDRO OCCOCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000133016074 781653757 /nfs/dbraw/zinc/65/37/57/781653757.db2.gz IHXUVBAVWLQDGT-UHFFFAOYSA-N 1 0 291.347 1.996 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)CCC[NH3+])cc1 ZINC000846697676 781732419 /nfs/dbraw/zinc/73/24/19/781732419.db2.gz UOIWQTRGEYSSSH-UHFFFAOYSA-N 1 0 279.384 1.329 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1O ZINC000846162992 781753360 /nfs/dbraw/zinc/75/33/60/781753360.db2.gz KARWPGFXNLXRIR-FZMZJTMJSA-N 1 0 295.379 1.839 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000873252464 781753390 /nfs/dbraw/zinc/75/33/90/781753390.db2.gz SESVYALTGJQADY-JBLDHEPKSA-N 1 0 278.352 1.567 20 10 CDCDRO C[C@H](CCO)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846111306 781765133 /nfs/dbraw/zinc/76/51/33/781765133.db2.gz OCCIQCUAFWNDBD-CYBMUJFWSA-N 1 0 296.386 1.865 20 10 CDCDRO CN(C)c1cc(F)c(C[N@H+](C)CCC(N)=O)cc1F ZINC000862365710 781810969 /nfs/dbraw/zinc/81/09/69/781810969.db2.gz DMMVSIFVMJOREU-UHFFFAOYSA-N 1 0 271.311 1.338 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858174497 781843817 /nfs/dbraw/zinc/84/38/17/781843817.db2.gz RTFDOUMUJIBKKD-VIFPVBQESA-N 1 0 285.338 1.645 20 10 CDCDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000791058707 781857435 /nfs/dbraw/zinc/85/74/35/781857435.db2.gz FCEUDFGAAWZMGW-ZDUSSCGKSA-N 1 0 292.379 1.948 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccoc1 ZINC000883269677 781889727 /nfs/dbraw/zinc/88/97/27/781889727.db2.gz SAPIOQPLFAIYGA-CYBMUJFWSA-N 1 0 261.321 1.926 20 10 CDCDRO Cn1nncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922132145 783283792 /nfs/dbraw/zinc/28/37/92/783283792.db2.gz SHLGPEVIDGHIGV-UHFFFAOYSA-N 1 0 258.325 1.430 20 10 CDCDRO COc1c(O)c(CN2C[C@@H](C)[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000843120115 783484955 /nfs/dbraw/zinc/48/49/55/783484955.db2.gz XXRHEOWOUKMDCQ-NXEZZACHSA-N 1 0 295.339 1.491 20 10 CDCDRO CC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878357507 1166179327 /nfs/dbraw/zinc/17/93/27/1166179327.db2.gz BUMXAELSYZQNGO-CYBMUJFWSA-N 1 0 262.353 1.763 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)ccc1N(C)C ZINC000878982271 1166280059 /nfs/dbraw/zinc/28/00/59/1166280059.db2.gz YPTJDKUVAWXTSM-GDBMZVCRSA-N 1 0 278.396 1.379 20 10 CDCDRO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)c1ccccc1O ZINC000879649283 1166392845 /nfs/dbraw/zinc/39/28/45/1166392845.db2.gz PBFIGJWUPIZZCC-LLVKDONJSA-N 1 0 286.397 1.324 20 10 CDCDRO COCCOC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649116 1166392199 /nfs/dbraw/zinc/39/21/99/1166392199.db2.gz ISGVKOXWHSYZEW-NEPJUHHUSA-N 1 0 269.341 1.067 20 10 CDCDRO Nc1ccc(NC(=O)NCC[NH+]2CCSCC2)cc1 ZINC000230940638 912413787 /nfs/dbraw/zinc/41/37/87/912413787.db2.gz RNSVVQWOXIMNKF-UHFFFAOYSA-N 1 0 280.397 1.439 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2c(O)ccc(F)c2F)CC[C@@H]1F ZINC001206200641 912567282 /nfs/dbraw/zinc/56/72/82/912567282.db2.gz SIRJQFNNCRJIML-ONGXEEELSA-N 1 0 274.286 1.932 20 10 CDCDRO Oc1cccc(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)c1O ZINC001173759894 912807368 /nfs/dbraw/zinc/80/73/68/912807368.db2.gz VJZVJCQLDFDOCC-RYUDHWBXSA-N 1 0 289.339 1.358 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)C(F)F)cc1C ZINC001122404593 913709137 /nfs/dbraw/zinc/70/91/37/913709137.db2.gz BUBUZHLNZROTLC-UHFFFAOYSA-N 1 0 272.295 1.475 20 10 CDCDRO Oc1ccc(F)cc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001140056161 894767243 /nfs/dbraw/zinc/76/72/43/894767243.db2.gz KCHJEKGDSYGXDP-HNNXBMFYSA-N 1 0 294.370 1.828 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3ccc(N)nn3)cc2)CC1 ZINC001167427102 895636379 /nfs/dbraw/zinc/63/63/79/895636379.db2.gz XTDJHIQFKTUFNK-UHFFFAOYSA-N 1 0 298.394 1.423 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1=O ZINC000722360885 901116493 /nfs/dbraw/zinc/11/64/93/901116493.db2.gz CJLMQWOKVYNVMX-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO CNc1ccccc1N[C@H](CCC[NH3+])C(=O)OC ZINC001167900613 901839851 /nfs/dbraw/zinc/83/98/51/901839851.db2.gz GVYPCGOVZSRFBC-GFCCVEGCSA-N 1 0 251.330 1.421 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CN(C)CCO1 ZINC000783518218 905864684 /nfs/dbraw/zinc/86/46/84/905864684.db2.gz KBIQTDFWIBNHSG-YWPYICTPSA-N 1 0 264.369 1.762 20 10 CDCDRO COCC[C@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000775203516 921207548 /nfs/dbraw/zinc/20/75/48/921207548.db2.gz LJNCNVDGAGNLMP-AWEZNQCLSA-N 1 0 269.316 1.817 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)C[C@@H](C)O)cc1OC ZINC000783602425 906725989 /nfs/dbraw/zinc/72/59/89/906725989.db2.gz LDDDMISUUNORGG-VHSXEESVSA-N 1 0 269.341 1.658 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841826776 908516627 /nfs/dbraw/zinc/51/66/27/908516627.db2.gz IXEYSOFHYIMQSO-CYBMUJFWSA-N 1 0 276.384 1.222 20 10 CDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841953424 908832340 /nfs/dbraw/zinc/83/23/40/908832340.db2.gz HQZLXYCRFBCVJM-AWEZNQCLSA-N 1 0 278.400 1.484 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(F)c(F)cc1O ZINC001142534513 908882443 /nfs/dbraw/zinc/88/24/43/908882443.db2.gz MAGRZZSCLORQIR-QWRGUYRKSA-N 1 0 268.307 1.949 20 10 CDCDRO CCc1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c1 ZINC001206445318 916927766 /nfs/dbraw/zinc/92/77/66/916927766.db2.gz OFUNXMCPJJYZQF-OLZOCXBDSA-N 1 0 252.333 1.826 20 10 CDCDRO CCOc1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(O)c1 ZINC001206447828 916996493 /nfs/dbraw/zinc/99/64/93/916996493.db2.gz YVZWUWJPYXXKNN-VXGBXAGGSA-N 1 0 268.332 1.662 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C[C@H]2COCCO2)c1O ZINC000827139724 936492490 /nfs/dbraw/zinc/49/24/90/936492490.db2.gz CYTIYPLJGKMWGL-ZDUSSCGKSA-N 1 0 281.352 1.638 20 10 CDCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H]2COCCO2)c1 ZINC000827140599 936493387 /nfs/dbraw/zinc/49/33/87/936493387.db2.gz LYVZLGBKCCMOIS-ZDUSSCGKSA-N 1 0 251.326 1.548 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(O)(CO)CC2)c1O ZINC000827146585 936494154 /nfs/dbraw/zinc/49/41/54/936494154.db2.gz GTDLHBXPUPSALE-UHFFFAOYSA-N 1 0 251.326 1.020 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(O)(CO)CC2)c1 ZINC000827147304 936494472 /nfs/dbraw/zinc/49/44/72/936494472.db2.gz PUQBSKVOIFZTQU-UHFFFAOYSA-N 1 0 251.326 1.020 20 10 CDCDRO CCO[C@H](CC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279860 936571746 /nfs/dbraw/zinc/57/17/46/936571746.db2.gz MAAIJOIRBIZEOT-HUUCEWRRSA-N 1 0 293.411 1.684 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]23CCN(C)C3=O)cc1 ZINC001272916466 920030250 /nfs/dbraw/zinc/03/02/50/920030250.db2.gz IXGCUEWKPWPRRX-KRWDZBQOSA-N 1 0 287.407 1.949 20 10 CDCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140055663 936674598 /nfs/dbraw/zinc/67/45/98/936674598.db2.gz OOWYWSAHSBQQDD-IUODEOHRSA-N 1 0 281.327 1.626 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC(N(C)[C@H]3CCOC3)C2)c1O ZINC001140182698 936684804 /nfs/dbraw/zinc/68/48/04/936684804.db2.gz XRCHKLSPCIGNKZ-AWEZNQCLSA-N 1 0 290.407 1.914 20 10 CDCDRO COc1ccc(O)c(C[N@@H+](C)CC(OC)OC)c1 ZINC001203680339 920959125 /nfs/dbraw/zinc/95/91/25/920959125.db2.gz QDNUKKXBUJQUIY-UHFFFAOYSA-N 1 0 255.314 1.452 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCCO1 ZINC001140464605 936712357 /nfs/dbraw/zinc/71/23/57/936712357.db2.gz WUKNQNFFMPYCEK-CYBMUJFWSA-N 1 0 299.754 1.810 20 10 CDCDRO COCC[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140462659 936712544 /nfs/dbraw/zinc/71/25/44/936712544.db2.gz KQFJUMVZOXCFSC-UHFFFAOYSA-N 1 0 284.787 1.810 20 10 CDCDRO COC[C@@H]1CCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140667508 936736892 /nfs/dbraw/zinc/73/68/92/936736892.db2.gz VOSVJEBYSOZOEI-HNNXBMFYSA-N 1 0 294.370 1.883 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000689544483 936765818 /nfs/dbraw/zinc/76/58/18/936765818.db2.gz DKILKMARZZRFOM-UHFFFAOYSA-N 1 0 256.277 1.319 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703489701 922707033 /nfs/dbraw/zinc/70/70/33/922707033.db2.gz HJSLVALTMNVKJB-JTQLQIEISA-N 1 0 270.279 1.381 20 10 CDCDRO CN1CCOc2cc(CN3C[C@@H]4CC[N@H+](C)[C@@H]4C3)ccc21 ZINC001141143958 936819221 /nfs/dbraw/zinc/81/92/21/936819221.db2.gz PUHKIGKTFXQDGD-GOEBONIOSA-N 1 0 287.407 1.651 20 10 CDCDRO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)[C@H]1CO ZINC001141156757 936821265 /nfs/dbraw/zinc/82/12/65/936821265.db2.gz UDWJUORWYSZTGM-MFKMUULPSA-N 1 0 251.326 1.691 20 10 CDCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159352 936822223 /nfs/dbraw/zinc/82/22/23/936822223.db2.gz FJXRFNARWOLWIM-LLVKDONJSA-N 1 0 279.336 1.873 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]12 ZINC001141162850 936823960 /nfs/dbraw/zinc/82/39/60/936823960.db2.gz HOFWVPJBNGONLB-ZWNOBZJWSA-N 1 0 261.321 1.899 20 10 CDCDRO COc1cc(C(=O)N2CC[NH+]3CCC2CC3)cc(O)c1O ZINC001193096935 923471590 /nfs/dbraw/zinc/47/15/90/923471590.db2.gz DKKFDLONYIOJGG-UHFFFAOYSA-N 1 0 292.335 1.027 20 10 CDCDRO Cc1cc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1N(C)C ZINC000923297435 923720460 /nfs/dbraw/zinc/72/04/60/923720460.db2.gz PFADTKYYUGAEEY-CZUORRHYSA-N 1 0 277.412 1.609 20 10 CDCDRO OCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCSCC1 ZINC000839177890 936907954 /nfs/dbraw/zinc/90/79/54/936907954.db2.gz UDHTYYIWVOBJGF-UHFFFAOYSA-N 1 0 297.376 1.469 20 10 CDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841059229 936973798 /nfs/dbraw/zinc/97/37/98/936973798.db2.gz NQUDPRAMTGFBHB-PBHICJAKSA-N 1 0 289.423 1.611 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)C[NH3+])c1 ZINC000841981580 937026208 /nfs/dbraw/zinc/02/62/08/937026208.db2.gz AXPOVMVRPFMUEA-IUCAKERBSA-N 1 0 267.329 1.108 20 10 CDCDRO CN(C)c1ccc(CN(C(=O)NCC[NH3+])C2CC2)cc1 ZINC000841919812 937022859 /nfs/dbraw/zinc/02/28/59/937022859.db2.gz BAOGVOAAOYRABL-UHFFFAOYSA-N 1 0 276.384 1.385 20 10 CDCDRO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])S(C)(=O)=O ZINC000776252110 926485662 /nfs/dbraw/zinc/48/56/62/926485662.db2.gz HSFJUONSEOVDNB-ZETCQYMHSA-N 1 0 295.763 1.707 20 10 CDCDRO [NH3+][C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843043914 937105637 /nfs/dbraw/zinc/10/56/37/937105637.db2.gz QCXJGUYXDBWILG-AWEZNQCLSA-N 1 0 293.386 1.585 20 10 CDCDRO C[C@H]1C[NH2+]CCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843047501 937106210 /nfs/dbraw/zinc/10/62/10/937106210.db2.gz QSHIQBGLJFUIOL-ZDUSSCGKSA-N 1 0 293.386 1.456 20 10 CDCDRO C[C@@H]1[NH2+]CCN(Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000843056923 937108283 /nfs/dbraw/zinc/10/82/83/937108283.db2.gz CHDJOYQACWLBBM-GJZGRUSLSA-N 1 0 289.423 1.705 20 10 CDCDRO [O-]c1c(Cl)cccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843125137 937115153 /nfs/dbraw/zinc/11/51/53/937115153.db2.gz XBYQBYNAXKOBKN-CYBMUJFWSA-N 1 0 295.814 1.525 20 10 CDCDRO C[C@@H](CCCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566402 927444452 /nfs/dbraw/zinc/44/44/52/927444452.db2.gz NHBPIJQJJHOYDW-AWEZNQCLSA-N 1 0 292.423 1.898 20 10 CDCDRO C[C@H]([NH2+]CC(=O)Nc1cnccn1)c1ccc(N(C)C)cc1 ZINC000851950664 927672329 /nfs/dbraw/zinc/67/23/29/927672329.db2.gz QWYKGXUZFNLJGR-LBPRGKRZSA-N 1 0 299.378 1.832 20 10 CDCDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854229929 928173906 /nfs/dbraw/zinc/17/39/06/928173906.db2.gz APYFEZMBFZHFTF-DLBZAZTESA-N 1 0 289.423 1.617 20 10 CDCDRO CCc1cccc(C[NH2+]CCc2nc(C)n[nH]2)c1O ZINC000691459778 928880157 /nfs/dbraw/zinc/88/01/57/928880157.db2.gz MIBBNHAFTYHSIM-UHFFFAOYSA-N 1 0 260.341 1.713 20 10 CDCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)C(=O)NC ZINC000697861297 937287693 /nfs/dbraw/zinc/28/76/93/937287693.db2.gz YREOOJZKPWRQIQ-JTQLQIEISA-N 1 0 252.314 1.015 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(CO)CCC1 ZINC000784675687 937307023 /nfs/dbraw/zinc/30/70/23/937307023.db2.gz UUFRCZSWTLEGIV-UHFFFAOYSA-N 1 0 251.326 1.653 20 10 CDCDRO COC(=O)c1c(F)c(N(C)C(C)(C)C[NH3+])ccc1OC ZINC001170060138 929244530 /nfs/dbraw/zinc/24/45/30/929244530.db2.gz IGEWUTPWOGBCNA-UHFFFAOYSA-N 1 0 284.331 1.794 20 10 CDCDRO C[NH2+][C@@H](C)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272420 929803875 /nfs/dbraw/zinc/80/38/75/929803875.db2.gz UKYVFZHENZZAAW-NSHDSACASA-N 1 0 259.357 1.673 20 10 CDCDRO CN(C)c1ccc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000881272509 929804834 /nfs/dbraw/zinc/80/48/34/929804834.db2.gz YHFQEXRCOWDZHV-HNNXBMFYSA-N 1 0 299.422 1.935 20 10 CDCDRO CON(C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000883173695 930157309 /nfs/dbraw/zinc/15/73/09/930157309.db2.gz RBURRKKVBQVIJI-UHFFFAOYSA-N 1 0 279.384 1.106 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1cc(OC)ccc1O ZINC000133208735 930332050 /nfs/dbraw/zinc/33/20/50/930332050.db2.gz SUGXPYRPYCDODK-UHFFFAOYSA-N 1 0 266.341 1.311 20 10 CDCDRO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1F ZINC000817898808 930621988 /nfs/dbraw/zinc/62/19/88/930621988.db2.gz BGOIVNVAAANTTP-QWHCGFSZSA-N 1 0 251.349 1.861 20 10 CDCDRO C[C@H]([NH2+]CC1C[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964741 930645726 /nfs/dbraw/zinc/64/57/26/930645726.db2.gz GOHGYUKCCIFSDX-QMMMGPOBSA-N 1 0 251.286 1.170 20 10 CDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCNC2=O)cc1 ZINC000886323388 930860304 /nfs/dbraw/zinc/86/03/04/930860304.db2.gz YUHQXCRUKSABQN-ARJAWSKDSA-N 1 0 288.395 1.381 20 10 CDCDRO COC(=O)C1(C)C[NH+](Cc2cccc(OC)c2O)C1 ZINC000822534713 931169468 /nfs/dbraw/zinc/16/94/68/931169468.db2.gz UQARWAVVXQWLEC-UHFFFAOYSA-N 1 0 265.309 1.396 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000824576163 931464102 /nfs/dbraw/zinc/46/41/02/931464102.db2.gz BNWSMXUKWWTBHX-LLVKDONJSA-N 1 0 294.351 1.673 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1 ZINC000824709753 931481039 /nfs/dbraw/zinc/48/10/39/931481039.db2.gz SOPORLWCWYIYDE-ABAIWWIYSA-N 1 0 281.352 1.542 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000844221128 931558081 /nfs/dbraw/zinc/55/80/81/931558081.db2.gz VZQXRHARQQFHGG-ZDUSSCGKSA-N 1 0 263.385 1.302 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500605 931860238 /nfs/dbraw/zinc/86/02/38/931860238.db2.gz WNOBDQBLCIDYNM-CQSZACIVSA-N 1 0 267.325 1.540 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001144503751 931864122 /nfs/dbraw/zinc/86/41/22/931864122.db2.gz BQZABWXQLRPGEF-ZUZCIYMTSA-N 1 0 279.336 1.804 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000846034363 931961814 /nfs/dbraw/zinc/96/18/14/931961814.db2.gz ORPKTWCOHKFIJD-CYBMUJFWSA-N 1 0 298.408 1.133 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000846156294 931982442 /nfs/dbraw/zinc/98/24/42/931982442.db2.gz DBLAEDUYKCTGSG-ZJUUUORDSA-N 1 0 287.381 1.485 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C[NH2+]C2CC2)cc1 ZINC000846696725 932114891 /nfs/dbraw/zinc/11/48/91/932114891.db2.gz GPBNGTAFLNZGCF-UHFFFAOYSA-N 1 0 291.395 1.342 20 10 CDCDRO CN1CCO[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC001275906776 932123868 /nfs/dbraw/zinc/12/38/68/932123868.db2.gz KOLNUEMLTKFYAY-MRXNPFEDSA-N 1 0 294.370 1.828 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c(O)c1 ZINC000831217624 933125730 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KRCMKJGSSCVANO-YUMQZZPRSA-N 1 0 284.743 1.622 20 10 CDCDRO COCCC1([NH3+])CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC001221136861 941498924 /nfs/dbraw/zinc/49/89/24/941498924.db2.gz WDIGHOBXTIWWEP-UHFFFAOYSA-N 1 0 291.395 1.168 20 10 CDCDRO Oc1cc(O)c(CN2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222248298 941577885 /nfs/dbraw/zinc/57/78/85/941577885.db2.gz KWHOGXQVAHOIMS-HNNXBMFYSA-N 1 0 278.352 1.521 20 10 CDCDRO Oc1cc(O)c(CN2CCC[C@@]23CCC[NH2+]C3)cc1O ZINC001222252605 941579332 /nfs/dbraw/zinc/57/93/32/941579332.db2.gz HOJLMWODAJIIBI-OAHLLOKOSA-N 1 0 278.352 1.521 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c1O ZINC001231595427 942940847 /nfs/dbraw/zinc/94/08/47/942940847.db2.gz TUVAMLNVLVVPTK-CQSZACIVSA-N 1 0 274.364 1.897 20 10 CDCDRO COc1cc(CN2CCOC(C)(C)C2)c(O)cc1O ZINC001231634609 942944826 /nfs/dbraw/zinc/94/48/26/942944826.db2.gz PSTFVFIAIJRKLG-UHFFFAOYSA-N 1 0 267.325 1.717 20 10 CDCDRO COc1cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(O)cc1O ZINC001231637448 942954744 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c1cc(N2CCCC2)ccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001325320268 953837260 /nfs/dbraw/zinc/83/72/60/953837260.db2.gz ORKUJOYGLSHQIJ-ZSHCYNCHSA-N 1 0 257.381 1.594 20 10 CDCDRO CN1CCC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1=O ZINC001331248779 956916055 /nfs/dbraw/zinc/91/60/55/956916055.db2.gz ANFIYXCCRPTVEZ-INIZCTEOSA-N 1 0 287.407 1.997 20 10 CDCDRO CN(C)c1ccc(Cn2cc(C[NH2+]CC3CC3)nn2)cc1 ZINC001331885148 957315667 /nfs/dbraw/zinc/31/56/67/957315667.db2.gz NIBBAZBQOPAJIJ-UHFFFAOYSA-N 1 0 285.395 1.892 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001333945761 958722012 /nfs/dbraw/zinc/72/20/12/958722012.db2.gz QYQCXDZQNIXPED-UHFFFAOYSA-N 1 0 270.760 1.922 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC001338625375 961916223 /nfs/dbraw/zinc/91/62/23/961916223.db2.gz INJIBXMRRDWRHO-HNNXBMFYSA-N 1 0 290.411 1.595 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c(O)c1 ZINC001343661823 964083103 /nfs/dbraw/zinc/08/31/03/964083103.db2.gz ZGCCQBYSBQQDRL-GHMZBOCLSA-N 1 0 278.352 1.405 20 10 CDCDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC001349486088 966363424 /nfs/dbraw/zinc/36/34/24/966363424.db2.gz DCNMCASZTGYHBT-LSDHHAIUSA-N 1 0 275.396 1.800 20 10 CDCDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccc(O)c1O ZINC001352658346 967408000 /nfs/dbraw/zinc/40/80/00/967408000.db2.gz SVBXCHUSOXKTSA-PHIMTYICSA-N 1 0 278.352 1.587 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c(O)c1 ZINC000848429978 969089531 /nfs/dbraw/zinc/08/95/31/969089531.db2.gz ZMUVRBUGMGGKCM-XJKSGUPXSA-N 1 0 290.363 1.407 20 10 CDCDRO CCc1cccc(C[N@H+](C)CCOCCO)c1O ZINC000848909367 969348039 /nfs/dbraw/zinc/34/80/39/969348039.db2.gz RWQJTXJTLKZIHH-UHFFFAOYSA-N 1 0 253.342 1.395 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1 ZINC000874048157 969365567 /nfs/dbraw/zinc/36/55/67/969365567.db2.gz LIVMBFXYOBQFSD-UHFFFAOYSA-N 1 0 291.395 1.391 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@@H]2F)cc1 ZINC001521145492 970264363 /nfs/dbraw/zinc/26/43/63/970264363.db2.gz VZGIOQITWUPVAG-RWMBFGLXSA-N 1 0 265.332 1.227 20 10 CDCDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001576006124 1171311281 /nfs/dbraw/zinc/31/12/81/1171311281.db2.gz QUPHMDPSMQKWRK-MRVPVSSYSA-N 1 0 263.301 1.268 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+][C@@H]1C)c1ccc(N(C)C)cc1 ZINC001576213385 1171361298 /nfs/dbraw/zinc/36/12/98/1171361298.db2.gz YXZACAUJXDBGSL-JMSVASOKSA-N 1 0 290.411 1.863 20 10 CDCDRO C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2cccc(F)c2O1 ZINC001576762129 1171508522 /nfs/dbraw/zinc/50/85/22/1171508522.db2.gz IBYCQNCLYOQFTJ-MWLCHTKSSA-N 1 0 276.311 1.987 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)CC(=O)NC(C)C)cc1C ZINC000052583247 362547315 /nfs/dbraw/zinc/54/73/15/362547315.db2.gz CMHUKICFXAKOMU-UHFFFAOYSA-N 1 0 264.369 1.965 20 10 CDCDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295096166 199342189 /nfs/dbraw/zinc/34/21/89/199342189.db2.gz SBVGCDXEGPHBBV-VIFPVBQESA-N 1 0 267.325 1.760 20 10 CDCDRO CCCNC(=O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052692 356826138 /nfs/dbraw/zinc/82/61/38/356826138.db2.gz VGDWLNFNTOJKGM-UHFFFAOYSA-N 1 0 250.342 1.619 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCO1)OCO2 ZINC000042879349 357083129 /nfs/dbraw/zinc/08/31/29/357083129.db2.gz QBLXLPQUIUZZRK-SNVBAGLBSA-N 1 0 251.282 1.390 20 10 CDCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000179636989 357216903 /nfs/dbraw/zinc/21/69/03/357216903.db2.gz RZFDAXJOTLFEAX-CYBMUJFWSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000180066916 357241218 /nfs/dbraw/zinc/24/12/18/357241218.db2.gz UFQULLHDBWGEPJ-ZDUSSCGKSA-N 1 0 288.351 1.829 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC)cc1 ZINC000187190955 357739078 /nfs/dbraw/zinc/73/90/78/357739078.db2.gz RIANKRVTAZFWLU-LBPRGKRZSA-N 1 0 299.440 1.343 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC)CC(N)=O)c1 ZINC000188074853 357842146 /nfs/dbraw/zinc/84/21/46/357842146.db2.gz GTVZZVBKWJUSIQ-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000188683121 357926183 /nfs/dbraw/zinc/92/61/83/357926183.db2.gz WKSPHPXOCGZYBU-UHFFFAOYSA-N 1 0 265.309 1.444 20 10 CDCDRO CCOc1cccc(CN2CC[NH+](C[C@H](C)O)CC2)c1O ZINC000189849049 358042771 /nfs/dbraw/zinc/04/27/71/358042771.db2.gz JEABBMRXSIPRKE-ZDUSSCGKSA-N 1 0 294.395 1.289 20 10 CDCDRO CC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccccc1O ZINC000294827696 199200473 /nfs/dbraw/zinc/20/04/73/199200473.db2.gz LDNXGTYVULXMJG-HNNXBMFYSA-N 1 0 278.396 1.890 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCC2CC[NH2+]CC2)c1 ZINC001579723162 1172247510 /nfs/dbraw/zinc/24/75/10/1172247510.db2.gz BCQRJEJBHUZHJA-UHFFFAOYSA-N 1 0 277.368 1.499 20 10 CDCDRO COC(=O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000178692847 366495983 /nfs/dbraw/zinc/49/59/83/366495983.db2.gz JLASZALZOSKQTK-AWEZNQCLSA-N 1 0 293.363 1.936 20 10 CDCDRO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000365277260 359238667 /nfs/dbraw/zinc/23/86/67/359238667.db2.gz INIBYCNEEZERTL-ZIAGYGMSSA-N 1 0 275.348 1.962 20 10 CDCDRO O=C(NCC[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000048609503 359211601 /nfs/dbraw/zinc/21/16/01/359211601.db2.gz PRYKYFMVFUHDDK-UHFFFAOYSA-N 1 0 260.337 1.237 20 10 CDCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000038013887 359473171 /nfs/dbraw/zinc/47/31/71/359473171.db2.gz NOSXIRZXYAIUSC-LLVKDONJSA-N 1 0 280.368 1.795 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1O ZINC000297346148 200156087 /nfs/dbraw/zinc/15/60/87/200156087.db2.gz OUQLXCZNWANRJB-KGLIPLIRSA-N 1 0 278.396 1.890 20 10 CDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000841848118 781948379 /nfs/dbraw/zinc/94/83/79/781948379.db2.gz VOBUHFARUVSFSV-RISCZKNCSA-N 1 0 261.369 1.316 20 10 CDCDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccccc1O ZINC000282421704 364096222 /nfs/dbraw/zinc/09/62/22/364096222.db2.gz SRTNNNUDQYIAOH-QGHHPUGFSA-N 1 0 253.367 1.954 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(Cl)ccc1O ZINC000273610942 365512520 /nfs/dbraw/zinc/51/25/20/365512520.db2.gz VTWVESFEYFFBDP-YPMHNXCESA-N 1 0 297.830 1.942 20 10 CDCDRO COc1ccc(C[NH2+]C2(CO)CCOCC2)cc1C ZINC000227213805 367390699 /nfs/dbraw/zinc/39/06/99/367390699.db2.gz JLTPKWMYSSNCBL-UHFFFAOYSA-N 1 0 265.353 1.635 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273579556 371168538 /nfs/dbraw/zinc/16/85/38/371168538.db2.gz MIIBRMUUGMCVBX-VHSXEESVSA-N 1 0 264.325 1.282 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296450122 371438553 /nfs/dbraw/zinc/43/85/53/371438553.db2.gz NFFYFUNHMJVXOZ-NSHDSACASA-N 1 0 281.377 1.546 20 10 CDCDRO CNC(=O)C1CN(Cc2cc(Br)ccc2O)C1 ZINC000297496601 371996905 /nfs/dbraw/zinc/99/69/05/371996905.db2.gz VTNYCHXGTVUYNK-UHFFFAOYSA-N 1 0 299.168 1.333 20 10 CDCDRO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCC[NH2+]C1 ZINC001580718677 1172522413 /nfs/dbraw/zinc/52/24/13/1172522413.db2.gz KMANGQTVHYGSFP-SNVBAGLBSA-N 1 0 283.759 1.597 20 10 CDCDRO CN1CCCc2cc(CNc3nc(N)[nH+]c(N)n3)ccc21 ZINC000858373738 781974285 /nfs/dbraw/zinc/97/42/85/781974285.db2.gz OWQANZNSODYELP-UHFFFAOYSA-N 1 0 285.355 1.031 20 10 CDCDRO COC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)OC ZINC000921980316 781982551 /nfs/dbraw/zinc/98/25/51/781982551.db2.gz QILKMYCSKCXVPC-AWEZNQCLSA-N 1 0 265.353 1.763 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000877436944 781984732 /nfs/dbraw/zinc/98/47/32/781984732.db2.gz PKDNPAGOCSXKPT-MFKMUULPSA-N 1 0 262.353 1.786 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000168734342 390936906 /nfs/dbraw/zinc/93/69/06/390936906.db2.gz QLMJVGYSVJBSNR-SNVBAGLBSA-N 1 0 278.352 1.578 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000124816891 391227056 /nfs/dbraw/zinc/22/70/56/391227056.db2.gz GROVLMBEKRFLSG-CQSZACIVSA-N 1 0 263.385 1.036 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c(O)c1O ZINC000182319645 391233104 /nfs/dbraw/zinc/23/31/04/391233104.db2.gz YEYITQIQLKBTFK-JTQLQIEISA-N 1 0 278.352 1.619 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OCCO)C2)cc1C ZINC000179573883 391211659 /nfs/dbraw/zinc/21/16/59/391211659.db2.gz XLHWHRMZUGUVFS-HNNXBMFYSA-N 1 0 279.380 1.982 20 10 CDCDRO CC[C@H]([NH2+]CC(=O)N(C)CC)c1ccccc1O ZINC000183348281 391261995 /nfs/dbraw/zinc/26/19/95/391261995.db2.gz PQYMAXLMTWBQLU-LBPRGKRZSA-N 1 0 250.342 1.911 20 10 CDCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1O)CC2 ZINC000183485245 391265789 /nfs/dbraw/zinc/26/57/89/391265789.db2.gz WQHAMXDVZWAACU-ZYHUDNBSSA-N 1 0 272.352 1.958 20 10 CDCDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1O ZINC000183625256 391267848 /nfs/dbraw/zinc/26/78/48/391267848.db2.gz WSIMFQYOJLKGPI-LBPRGKRZSA-N 1 0 265.353 1.832 20 10 CDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000362236000 391716489 /nfs/dbraw/zinc/71/64/89/391716489.db2.gz CVFLTTYXKXRWBU-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO COCCOCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000289035291 392270661 /nfs/dbraw/zinc/27/06/61/392270661.db2.gz PCQUVGQDFIUJSE-UHFFFAOYSA-N 1 0 299.342 1.829 20 10 CDCDRO CN1CCN(C)[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297704443 392442321 /nfs/dbraw/zinc/44/23/21/392442321.db2.gz MNNHOLIODUWJDY-KBPBESRZSA-N 1 0 275.396 1.215 20 10 CDCDRO CCOc1cccc(C[NH2+]CC[C@@H](O)COC)c1O ZINC000153754951 392403536 /nfs/dbraw/zinc/40/35/36/392403536.db2.gz BXHLBQPNJQUSHM-GFCCVEGCSA-N 1 0 269.341 1.278 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617174 298644836 /nfs/dbraw/zinc/64/48/36/298644836.db2.gz WNLOJQUVGCCFKQ-NEPJUHHUSA-N 1 0 282.359 1.903 20 10 CDCDRO COc1cccc(C[NH2+]C[C@](C)(O)CSC)c1O ZINC000120633901 412407801 /nfs/dbraw/zinc/40/78/01/412407801.db2.gz JUMGRYBATWGEBL-ZDUSSCGKSA-N 1 0 271.382 1.604 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@@H]2CCOC2)c1O ZINC000093840143 260331992 /nfs/dbraw/zinc/33/19/92/260331992.db2.gz IFXYGNOBHLGFQS-NSHDSACASA-N 1 0 251.326 1.869 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000164296520 261346761 /nfs/dbraw/zinc/34/67/61/261346761.db2.gz IJFLQCAIDPEGMV-BCTVWOGZSA-N 1 0 261.774 1.902 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000178712682 261757321 /nfs/dbraw/zinc/75/73/21/261757321.db2.gz LYABVTJXENYZJD-AWEZNQCLSA-N 1 0 275.396 1.759 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c(O)c1 ZINC000186221559 262084385 /nfs/dbraw/zinc/08/43/85/262084385.db2.gz RVWLMTIYHBAQSD-SNVBAGLBSA-N 1 0 250.342 1.863 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000368586363 262102188 /nfs/dbraw/zinc/10/21/88/262102188.db2.gz XQCSKNGZMCBLDR-SNVBAGLBSA-N 1 0 294.326 1.431 20 10 CDCDRO COCCC[N@H+](C)CCNC(=O)NCc1ccccc1O ZINC000266487291 328169515 /nfs/dbraw/zinc/16/95/15/328169515.db2.gz IRLLXJZBNIKTBO-UHFFFAOYSA-N 1 0 295.383 1.160 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091542437 327102548 /nfs/dbraw/zinc/10/25/48/327102548.db2.gz MOSPQYNYDRDPSU-OLZOCXBDSA-N 1 0 261.369 1.496 20 10 CDCDRO COc1ccc(O)c(CNc2cnccc2-n2ccnn2)c1 ZINC000377699899 329025764 /nfs/dbraw/zinc/02/57/64/329025764.db2.gz QVHXZOQMZAGWER-UHFFFAOYSA-N 1 0 297.318 1.989 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1O ZINC000226608170 329262189 /nfs/dbraw/zinc/26/21/89/329262189.db2.gz XCADCVDNFNTSGM-QMMMGPOBSA-N 1 0 261.318 1.054 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000188496691 329369500 /nfs/dbraw/zinc/36/95/00/329369500.db2.gz MAGZVHDHXFJZHC-GHMZBOCLSA-N 1 0 250.342 1.910 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1COCCN1 ZINC000530181037 333527324 /nfs/dbraw/zinc/52/73/24/333527324.db2.gz JEFXMYJYIMAFML-NSHDSACASA-N 1 0 256.733 1.124 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000724872518 1159233136 /nfs/dbraw/zinc/23/31/36/1159233136.db2.gz MKAJCEIFAKRLHJ-OUCADQQQSA-N 1 0 263.337 1.773 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCCC2=O)cc1 ZINC000405402042 1159267790 /nfs/dbraw/zinc/26/77/90/1159267790.db2.gz RWBFNGIKGNGSRE-UHFFFAOYSA-N 1 0 261.369 1.465 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000237208548 1160208076 /nfs/dbraw/zinc/20/80/76/1160208076.db2.gz TZNATWWHWYHNJR-ZBEGNZNMSA-N 1 0 292.379 1.968 20 10 CDCDRO C[N@@H+](Cc1cc2ccccc2cc1O)C[C@@H](O)CO ZINC001236829544 1161272468 /nfs/dbraw/zinc/27/24/68/1161272468.db2.gz IPVOEXMFFZCYII-CQSZACIVSA-N 1 0 261.321 1.330 20 10 CDCDRO CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001169514107 1162010888 /nfs/dbraw/zinc/01/08/88/1162010888.db2.gz QDYSSTGGNPOQGM-ZDUSSCGKSA-N 1 0 262.353 1.719 20 10 CDCDRO CC(C)NC(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083551543 519708768 /nfs/dbraw/zinc/70/87/68/519708768.db2.gz SMIXPJRTBIXRCK-UHFFFAOYSA-N 1 0 256.733 1.660 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]C)cc1F ZINC000236906288 520897304 /nfs/dbraw/zinc/89/73/04/520897304.db2.gz FCJZCNUALXKBFC-UHFFFAOYSA-N 1 0 267.348 1.508 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)COC)cc1 ZINC000071269342 520904502 /nfs/dbraw/zinc/90/45/02/520904502.db2.gz FCXNFGUTDYMPQH-HNNXBMFYSA-N 1 0 266.385 1.630 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280910580 523383636 /nfs/dbraw/zinc/38/36/36/523383636.db2.gz SBFDWXGALBPHAG-CZUORRHYSA-N 1 0 274.364 1.740 20 10 CDCDRO Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000237773931 524151169 /nfs/dbraw/zinc/15/11/69/524151169.db2.gz BLLJYZGTEBLGQJ-AWEZNQCLSA-N 1 0 298.390 1.971 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)c1O ZINC000277482928 524407253 /nfs/dbraw/zinc/40/72/53/524407253.db2.gz MUTZYJCVJYOPEZ-ZMZPIMSZSA-N 1 0 267.394 1.901 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252744083 524756217 /nfs/dbraw/zinc/75/62/17/524756217.db2.gz RBMHWWYRSJIRNF-HAQNSBGRSA-N 1 0 251.326 1.794 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COC[C@@H]2OC)c1 ZINC000290022630 524767148 /nfs/dbraw/zinc/76/71/48/524767148.db2.gz CJVGDUOKCVJHBI-LQJRIPTKSA-N 1 0 267.325 1.465 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038082793 524772526 /nfs/dbraw/zinc/77/25/26/524772526.db2.gz VKRHSWSHUKKKNW-QWRGUYRKSA-N 1 0 299.392 1.486 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)c2ncnn2C)cc1C ZINC000276617859 525322404 /nfs/dbraw/zinc/32/24/04/525322404.db2.gz DTYJBMLEUUCQAX-NSHDSACASA-N 1 0 260.341 1.988 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000277588872 525345245 /nfs/dbraw/zinc/34/52/45/525345245.db2.gz UQUXAIGDQYQMCE-KZULUSFZSA-N 1 0 267.394 1.901 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000278484823 525355169 /nfs/dbraw/zinc/35/51/69/525355169.db2.gz KFPFOAOHWIVRNM-CQSZACIVSA-N 1 0 251.326 1.332 20 10 CDCDRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(F)ccc1O ZINC000289614711 525443619 /nfs/dbraw/zinc/44/36/19/525443619.db2.gz DGFFMQRWXOQUMN-SNVBAGLBSA-N 1 0 294.330 1.356 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC000129527156 525942215 /nfs/dbraw/zinc/94/22/15/525942215.db2.gz ZASMRFKQZBIVHQ-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO Cn1nccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000069678805 527611071 /nfs/dbraw/zinc/61/10/71/527611071.db2.gz GNVGVHCFIMFKIG-UHFFFAOYSA-N 1 0 286.379 1.547 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCN(C)C[C@H]2CO)cc1 ZINC000879001435 782170021 /nfs/dbraw/zinc/17/00/21/782170021.db2.gz XDATXXPUWCMTKY-INIZCTEOSA-N 1 0 277.412 1.251 20 10 CDCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1=CC(=O)CS1 ZINC000734552672 575358019 /nfs/dbraw/zinc/35/80/19/575358019.db2.gz JOKNQNACHVYKSM-SNVBAGLBSA-N 1 0 268.382 1.868 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H]1O ZINC000770380814 575475804 /nfs/dbraw/zinc/47/58/04/575475804.db2.gz NPVFPINRFOTTPU-GXFFZTMASA-N 1 0 251.326 1.604 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CCO)C2CC2)c1O ZINC000771799485 575612743 /nfs/dbraw/zinc/61/27/43/575612743.db2.gz ANALGJGBPIFBIG-CQSZACIVSA-N 1 0 281.327 1.985 20 10 CDCDRO CCN(C)c1ccc(CN2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000773748732 575837356 /nfs/dbraw/zinc/83/73/56/575837356.db2.gz RGBTZEOEDCPHDV-HNNXBMFYSA-N 1 0 291.439 1.641 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000764679230 575933684 /nfs/dbraw/zinc/93/36/84/575933684.db2.gz QONSJYMSSIOHHT-OAHLLOKOSA-N 1 0 295.379 1.668 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768447066 576283774 /nfs/dbraw/zinc/28/37/74/576283774.db2.gz QRCNXUNZDWQDFV-SWLSCSKDSA-N 1 0 292.379 1.344 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@@H](OC)C2)c(O)cc1C ZINC000768463103 576287286 /nfs/dbraw/zinc/28/72/86/576287286.db2.gz GIKJFPLSACGEJH-GFCCVEGCSA-N 1 0 251.326 1.930 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CC2(O)CCC2)c1 ZINC000761219314 576560766 /nfs/dbraw/zinc/56/07/66/576560766.db2.gz NBXLWNPWSZTHDG-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000742376784 576599190 /nfs/dbraw/zinc/59/91/90/576599190.db2.gz HFUWXPXCDSJNHS-NSHDSACASA-N 1 0 269.341 1.542 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000753858988 576863285 /nfs/dbraw/zinc/86/32/85/576863285.db2.gz YVPOBHWICASKEE-CYBMUJFWSA-N 1 0 294.370 1.993 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@@H]2COCCO2)ccc1OC ZINC000747855052 576887355 /nfs/dbraw/zinc/88/73/55/576887355.db2.gz YCWARGCLFGJZQQ-OAHLLOKOSA-N 1 0 295.379 1.737 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000754742743 576913280 /nfs/dbraw/zinc/91/32/80/576913280.db2.gz YRRZAROOCNGVDJ-ZDUSSCGKSA-N 1 0 262.353 1.672 20 10 CDCDRO COc1ccc(CN2CCC[N@H+](C)CC2)c(O)c1OC ZINC000891391639 617381933 /nfs/dbraw/zinc/38/19/33/617381933.db2.gz BAHHQQGCCDVGAS-UHFFFAOYSA-N 1 0 280.368 1.547 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000892039402 617434795 /nfs/dbraw/zinc/43/47/95/617434795.db2.gz STFDZUKIUUDWDK-HOCLYGCPSA-N 1 0 288.395 1.395 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cc[nH]n2)c(O)c1OC ZINC000892515407 617468386 /nfs/dbraw/zinc/46/83/86/617468386.db2.gz QFVMTBHBLGSGQS-UHFFFAOYSA-N 1 0 263.297 1.422 20 10 CDCDRO O=C(N[C@@H]1CCC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC000892081099 617468500 /nfs/dbraw/zinc/46/85/00/617468500.db2.gz FGADPXHYVYTXTO-GFCCVEGCSA-N 1 0 275.352 1.560 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1O ZINC000892565375 617509015 /nfs/dbraw/zinc/50/90/15/617509015.db2.gz JXUPZNMZJRNMJH-GMTAPVOTSA-N 1 0 263.341 1.490 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1O ZINC000892167783 617522590 /nfs/dbraw/zinc/52/25/90/617522590.db2.gz GSYFRGCJEWRRAI-NEPJUHHUSA-N 1 0 293.367 1.131 20 10 CDCDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893661836 617812719 /nfs/dbraw/zinc/81/27/19/617812719.db2.gz SDFQUAKSKSBWSF-RXNFCKPNSA-N 1 0 281.352 1.826 20 10 CDCDRO COc1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(O)c1OC ZINC000893669269 617819191 /nfs/dbraw/zinc/81/91/91/617819191.db2.gz LSPGNJZXLQRISI-NWDGAFQWSA-N 1 0 294.395 1.934 20 10 CDCDRO O=C(NC1CC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC000891961552 617891838 /nfs/dbraw/zinc/89/18/38/617891838.db2.gz QCNSNGVVTZJBDJ-UHFFFAOYSA-N 1 0 261.325 1.169 20 10 CDCDRO C[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1ccccc1O ZINC000891976068 617919273 /nfs/dbraw/zinc/91/92/73/617919273.db2.gz JFXOWOPKYZIGPL-LLVKDONJSA-N 1 0 277.368 1.752 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c(O)c1OC ZINC000893009100 618050317 /nfs/dbraw/zinc/05/03/17/618050317.db2.gz PMWYVEGPZFSEHR-NSHDSACASA-N 1 0 294.351 1.120 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)CC(F)F)c(O)c1OC ZINC000894037104 618307446 /nfs/dbraw/zinc/30/74/46/618307446.db2.gz WIVRQOIAIDGYLU-SECBINFHSA-N 1 0 291.294 1.515 20 10 CDCDRO Cc1cccc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1O ZINC000818430912 618508331 /nfs/dbraw/zinc/50/83/31/618508331.db2.gz BNFQIKCJNCCHLU-LSDHHAIUSA-N 1 0 286.379 1.361 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC2(C)OCCO2)c1O ZINC000894462412 618901029 /nfs/dbraw/zinc/90/10/29/618901029.db2.gz XSVYRAVHGUYDAH-UHFFFAOYSA-N 1 0 281.352 1.952 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCc2ccn(C)n2)c1O ZINC000894466312 618902551 /nfs/dbraw/zinc/90/25/51/618902551.db2.gz FXFBGFXDPFIWPA-UHFFFAOYSA-N 1 0 275.352 1.775 20 10 CDCDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895311058 619540332 /nfs/dbraw/zinc/54/03/32/619540332.db2.gz NTPUOMVYIPXFSE-MRXNPFEDSA-N 1 0 289.379 1.778 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000895326514 619565672 /nfs/dbraw/zinc/56/56/72/619565672.db2.gz YOROORSXBULVHD-ZFWWWQNUSA-N 1 0 265.353 1.272 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000895327350 619570081 /nfs/dbraw/zinc/57/00/81/619570081.db2.gz MOMUQTSTGNBQAQ-DLBZAZTESA-N 1 0 292.423 1.850 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC000895576183 619733850 /nfs/dbraw/zinc/73/38/50/619733850.db2.gz JUNHZIRUIRYNTI-BETUJISGSA-N 1 0 278.327 1.441 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000896960118 620320941 /nfs/dbraw/zinc/32/09/41/620320941.db2.gz IFRXHDPEMZUGHT-NSHDSACASA-N 1 0 279.336 1.786 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(O)c1OC ZINC000897676705 621063582 /nfs/dbraw/zinc/06/35/82/621063582.db2.gz WKHDICZDABVODS-GXSJLCMTSA-N 1 0 267.325 1.222 20 10 CDCDRO CC1(C)CCN(CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000898035720 621302506 /nfs/dbraw/zinc/30/25/06/621302506.db2.gz XJCDHXLEBLMJSY-UHFFFAOYSA-N 1 0 292.379 1.942 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2ccn(C)n2)cc1 ZINC000841042852 621565888 /nfs/dbraw/zinc/56/58/88/621565888.db2.gz LYEZIDCQDGTYMD-OAHLLOKOSA-N 1 0 273.384 1.276 20 10 CDCDRO CC[C@H](O)C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905706316 626934009 /nfs/dbraw/zinc/93/40/09/626934009.db2.gz SXJSPVDXHRHXAR-HOTGVXAUSA-N 1 0 279.428 1.716 20 10 CDCDRO CC[C@H](C(=O)NCc1ccc(O)cc1O)[NH+](C)C ZINC000910951613 629115594 /nfs/dbraw/zinc/11/55/94/629115594.db2.gz VFNNBIYMRWFARG-LLVKDONJSA-N 1 0 252.314 1.054 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000113331580 633118353 /nfs/dbraw/zinc/11/83/53/633118353.db2.gz MJGMVFUHUFDKHN-LLVKDONJSA-N 1 0 285.771 1.923 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921710092 633231614 /nfs/dbraw/zinc/23/16/14/633231614.db2.gz ITJNTLZIKFDQKF-MRXNPFEDSA-N 1 0 290.407 1.822 20 10 CDCDRO CC[S@](=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921720576 633238939 /nfs/dbraw/zinc/23/89/39/633238939.db2.gz BGOODFJZBDTNOI-SFHVURJKSA-N 1 0 267.394 1.870 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H](C)C[NH+](C)C)c(O)c1 ZINC000807575456 1162765946 /nfs/dbraw/zinc/76/59/46/1162765946.db2.gz GBOFRQRSENEKOX-JTQLQIEISA-N 1 0 281.356 1.150 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](O)C1CC1 ZINC000809751693 1163085254 /nfs/dbraw/zinc/08/52/54/1163085254.db2.gz JAZRSSQZQCYCNO-GFCCVEGCSA-N 1 0 265.309 1.324 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000876767392 1165911494 /nfs/dbraw/zinc/91/14/94/1165911494.db2.gz IIINXLDBQBHRRA-GFCCVEGCSA-N 1 0 263.385 1.675 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCC(=O)N1CCOCC1 ZINC000876952690 1165947445 /nfs/dbraw/zinc/94/74/45/1165947445.db2.gz BPQSHERETPNFBI-UHFFFAOYSA-N 1 0 278.352 1.039 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)c(O)c1 ZINC000877046884 1165965100 /nfs/dbraw/zinc/96/51/00/1165965100.db2.gz RHJWQIVBHVKZMD-CYBMUJFWSA-N 1 0 262.353 1.800 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2O)[C@H]1OC ZINC000877352446 1166023131 /nfs/dbraw/zinc/02/31/31/1166023131.db2.gz YHMPIDOPORHYFV-NWANDNLSSA-N 1 0 265.353 1.983 20 10 CDCDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1cccc(O)c1O ZINC001576532112 1171448756 /nfs/dbraw/zinc/44/87/56/1171448756.db2.gz ZFPIQGHZJDYADW-XHDPSFHLSA-N 1 0 278.352 1.622 20 10 CDCDRO [NH3+]C1CCN(CC[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC001580189047 1172370030 /nfs/dbraw/zinc/37/00/30/1172370030.db2.gz GVDYAPKKIVWUFS-UHFFFAOYSA-N 1 0 267.348 1.044 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000219146609 1177899838 /nfs/dbraw/zinc/89/98/38/1177899838.db2.gz WLJKGYQANVHYNB-HNNXBMFYSA-N 1 0 278.396 1.774 20 10 CDCDRO C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1O ZINC000870988485 1165249208 /nfs/dbraw/zinc/24/92/08/1165249208.db2.gz QPOUNJJEKHGQIH-VXGBXAGGSA-N 1 0 278.352 1.338 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1cc(Cl)ccc1O ZINC000871607850 1165319385 /nfs/dbraw/zinc/31/93/85/1165319385.db2.gz KAPGINNRIHQUBW-UHFFFAOYSA-N 1 0 271.748 1.648 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)O)cc1Cn1cccn1 ZINC000873007186 1165501989 /nfs/dbraw/zinc/50/19/89/1165501989.db2.gz XSYPADLQBHASEL-GFCCVEGCSA-N 1 0 275.352 1.410 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000875583839 1165737885 /nfs/dbraw/zinc/73/78/85/1165737885.db2.gz UPDMXGOFOYHJLZ-NSHDSACASA-N 1 0 265.357 1.450 20 10 CDCDRO CCN(Cc1ccc(C)cc1O)[C@@H](C)CS(C)(=O)=O ZINC000876738013 1165905598 /nfs/dbraw/zinc/90/55/98/1165905598.db2.gz XZHJYVNKXCSRCM-LBPRGKRZSA-N 1 0 285.409 1.956 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000876913241 1165938371 /nfs/dbraw/zinc/93/83/71/1165938371.db2.gz OZTDJSJKGJBIFF-LLVKDONJSA-N 1 0 269.366 1.225 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(C)cc2O)CCCOC1 ZINC000877404537 1166032082 /nfs/dbraw/zinc/03/20/82/1166032082.db2.gz DKDMZLNVGGZSTQ-INIZCTEOSA-N 1 0 293.363 1.903 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000877533350 1166053002 /nfs/dbraw/zinc/05/30/02/1166053002.db2.gz NABVLIPZESCOIR-QWRGUYRKSA-N 1 0 278.352 1.720 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1c(C)cccc1O ZINC000877633163 1166070829 /nfs/dbraw/zinc/07/08/29/1166070829.db2.gz BJMSWVHAPGOWLJ-UHFFFAOYSA-N 1 0 252.314 1.488 20 10 CDCDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649294 1166391195 /nfs/dbraw/zinc/39/11/95/1166391195.db2.gz MTSWDGCIUQFCIH-YGRLFVJLSA-N 1 0 267.325 1.357 20 10 CDCDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604131672 1167851638 /nfs/dbraw/zinc/85/16/38/1167851638.db2.gz BJOVOMYTAGULDJ-ZJUUUORDSA-N 1 0 266.341 1.868 20 10 CDCDRO COCCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801616 912383151 /nfs/dbraw/zinc/38/31/51/912383151.db2.gz VQICMNADCMRLDP-UHFFFAOYSA-N 1 0 291.395 1.051 20 10 CDCDRO COC(=O)Cc1ccc(O)c(Nc2cc[nH+]cc2C)c1 ZINC001174539130 913198967 /nfs/dbraw/zinc/19/89/67/913198967.db2.gz FJBQYJROSFTTJJ-UHFFFAOYSA-N 1 0 272.304 1.977 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000382571311 894071659 /nfs/dbraw/zinc/07/16/59/894071659.db2.gz QNGXDAMOJWJNHY-NOZJJQNGSA-N 1 0 257.305 1.579 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C)C2=O)c1 ZINC000121034414 895176270 /nfs/dbraw/zinc/17/62/70/895176270.db2.gz RHLWVLOMOXUSQY-SKDRFNHKSA-N 1 0 264.325 1.282 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CCN1C ZINC001140184276 895215187 /nfs/dbraw/zinc/21/51/87/895215187.db2.gz QCZARLSGFMLUED-CQSZACIVSA-N 1 0 292.379 1.298 20 10 CDCDRO CN1CCCc2cc(C[NH2+]CCS(C)(=O)=O)ccc21 ZINC000050286705 895603907 /nfs/dbraw/zinc/60/39/07/895603907.db2.gz BNSRMDHGBFATNO-UHFFFAOYSA-N 1 0 282.409 1.203 20 10 CDCDRO COc1cccc(C[NH2+]C2(CO)CCCC2)c1O ZINC000053044614 897736549 /nfs/dbraw/zinc/73/65/49/897736549.db2.gz LUFZIHIHGRASQZ-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO COc1cccc(C[NH2+]C2CCS(=O)CC2)c1O ZINC000157980913 898344441 /nfs/dbraw/zinc/34/44/41/898344441.db2.gz YWQQVVLESIEILG-UHFFFAOYSA-N 1 0 269.366 1.402 20 10 CDCDRO Cc1ccc(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c(O)c1 ZINC001140950938 898987755 /nfs/dbraw/zinc/98/77/55/898987755.db2.gz PYGMRHHFGRRMGU-UHFFFAOYSA-N 1 0 290.407 1.996 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1cc(O)ccc1O ZINC001141161259 899833112 /nfs/dbraw/zinc/83/31/12/899833112.db2.gz QDYSSIJQMRELOT-UHFFFAOYSA-N 1 0 280.368 1.252 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)S(C)(=O)=O)c1 ZINC000093523391 900589489 /nfs/dbraw/zinc/58/94/89/900589489.db2.gz OYRNQKCOSJGBKA-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1C ZINC000258963437 901029958 /nfs/dbraw/zinc/02/99/58/901029958.db2.gz SAQJLDFLZZKAOP-ZDUSSCGKSA-N 1 0 250.342 1.082 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237084497 901987610 /nfs/dbraw/zinc/98/76/10/901987610.db2.gz NSQBJHXEZVALMJ-INIZCTEOSA-N 1 0 275.396 1.677 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1 ZINC001270038419 904295076 /nfs/dbraw/zinc/29/50/76/904295076.db2.gz WJTWFFHKTIZVCB-QWRGUYRKSA-N 1 0 262.309 1.016 20 10 CDCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCCO2)OCCO ZINC000922132580 921283950 /nfs/dbraw/zinc/28/39/50/921283950.db2.gz SNAOYEIREDEJJF-UHFFFAOYSA-N 1 0 279.380 1.889 20 10 CDCDRO O=C1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)CN1 ZINC000922185162 921328192 /nfs/dbraw/zinc/32/81/92/921328192.db2.gz ZICYFFBJUVXORP-LBPRGKRZSA-N 1 0 260.337 1.237 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[NH2+]CC2)cc1F ZINC000841760831 908196716 /nfs/dbraw/zinc/19/67/16/908196716.db2.gz LXRRAWYMTLQDNU-UHFFFAOYSA-N 1 0 280.347 1.007 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000841965945 908838739 /nfs/dbraw/zinc/83/87/39/908838739.db2.gz MBPSOFUHVJBYQR-OAHLLOKOSA-N 1 0 290.411 1.631 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H](C)CCC[NH3+])c(O)c1 ZINC000841999199 908851690 /nfs/dbraw/zinc/85/16/90/908851690.db2.gz CXVFXDUGAHRTOU-JTQLQIEISA-N 1 0 281.356 1.327 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000323256431 909092517 /nfs/dbraw/zinc/09/25/17/909092517.db2.gz FTNVINAYWAOQKA-VXGBXAGGSA-N 1 0 251.326 1.794 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCN2C)c1 ZINC000712537516 909584099 /nfs/dbraw/zinc/58/40/99/909584099.db2.gz ZRHPNNVVZXMBRC-MNOVXSKESA-N 1 0 250.342 1.756 20 10 CDCDRO O=C1CC[C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)CCO4)CCN12 ZINC001172148785 911360300 /nfs/dbraw/zinc/36/03/00/911360300.db2.gz BVCUPMACFLKLKB-HUUCEWRRSA-N 1 0 286.375 1.865 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001172600987 911767802 /nfs/dbraw/zinc/76/78/02/911767802.db2.gz HCSTVAZPLMNROJ-ZYHUDNBSSA-N 1 0 279.336 1.919 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2C)c(O)c1 ZINC000922641459 921723454 /nfs/dbraw/zinc/72/34/54/921723454.db2.gz LTCBOJNBBFDEHM-ZWNOBZJWSA-N 1 0 251.326 1.915 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c(O)c1O ZINC000179488103 915152813 /nfs/dbraw/zinc/15/28/13/915152813.db2.gz CNBVMCDSXPKZJW-LLVKDONJSA-N 1 0 278.352 1.478 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2OCCO2)c1 ZINC000180251186 915516361 /nfs/dbraw/zinc/51/63/61/915516361.db2.gz WPYNZYOOIQPJPA-SECBINFHSA-N 1 0 253.298 1.424 20 10 CDCDRO C[C@@H]1CN(Cc2cc(F)c(F)cc2O)C[C@@H](C)[NH2+]1 ZINC001236577909 915649480 /nfs/dbraw/zinc/64/94/80/915649480.db2.gz IBALMRWHNFEGHR-RKDXNWHRSA-N 1 0 256.296 1.853 20 10 CDCDRO Cc1cc(CN2C[C@@H]([NH3+])C[C@H](F)C2)ccc1N(C)C ZINC001206424057 916473415 /nfs/dbraw/zinc/47/34/15/916473415.db2.gz NKCRMZZZEDTUPO-KBPBESRZSA-N 1 0 265.376 1.932 20 10 CDCDRO CCN(C(C)=O)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278126 916582531 /nfs/dbraw/zinc/58/25/31/916582531.db2.gz UTHDJRYHMAUYGI-UHFFFAOYSA-N 1 0 292.379 1.931 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc(O)c1O ZINC001204346495 917963967 /nfs/dbraw/zinc/96/39/67/917963967.db2.gz SFHTXWKXCQQJLP-ZDUSSCGKSA-N 1 0 281.352 1.842 20 10 CDCDRO CN1CCCc2cc(CN3C[C@@H]4C[C@H]3C[N@@H+]4C)ccc21 ZINC001138359041 936525938 /nfs/dbraw/zinc/52/59/38/936525938.db2.gz IOSOZHJWWXKGTQ-HOTGVXAUSA-N 1 0 271.408 1.957 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000831754056 936534769 /nfs/dbraw/zinc/53/47/69/936534769.db2.gz UBMGSBVINUZHNE-SWLSCSKDSA-N 1 0 291.395 1.375 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c1O ZINC001203584563 918953386 /nfs/dbraw/zinc/95/33/86/918953386.db2.gz DOXXJWKDHHJDMZ-NHYWBVRUSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[C@H](C)OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267658 936570815 /nfs/dbraw/zinc/57/08/15/936570815.db2.gz YNJRKYWMAKQIDY-SWLSCSKDSA-N 1 0 293.411 1.684 20 10 CDCDRO CO[C@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282007 936571725 /nfs/dbraw/zinc/57/17/25/936571725.db2.gz XFWKUIQJBDQZAP-BXUZGUMPSA-N 1 0 279.384 1.294 20 10 CDCDRO CC[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293634 936572542 /nfs/dbraw/zinc/57/25/42/936572542.db2.gz ZKHFWJKIDFPFBB-FZMZJTMJSA-N 1 0 263.385 1.915 20 10 CDCDRO COc1cc(CN2CCC23COC3)cc(C[NH+](C)C)c1O ZINC001139257192 936611765 /nfs/dbraw/zinc/61/17/65/936611765.db2.gz ULLQOKQCTDSTFE-UHFFFAOYSA-N 1 0 292.379 1.437 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]([NH3+])CC(F)F)ccc21 ZINC000827913884 936613658 /nfs/dbraw/zinc/61/36/58/936613658.db2.gz RICAVYNITDDPCL-GFCCVEGCSA-N 1 0 297.349 1.668 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835075122 936717187 /nfs/dbraw/zinc/71/71/87/936717187.db2.gz VTSQJZXWEINURO-CHWSQXEVSA-N 1 0 290.363 1.644 20 10 CDCDRO CCOC(=O)CN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140617300 936731166 /nfs/dbraw/zinc/73/11/66/936731166.db2.gz LWHJOEPIPIQGRG-UHFFFAOYSA-N 1 0 292.379 1.381 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)CCC(=O)N(C)C)c1 ZINC001140623375 936732024 /nfs/dbraw/zinc/73/20/24/936732024.db2.gz OVKWLHUKTPRQLI-UHFFFAOYSA-N 1 0 250.342 1.611 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC([C@H](C)OC)C2)c(OC)c1 ZINC001141030851 936794875 /nfs/dbraw/zinc/79/48/75/936794875.db2.gz NSOMQIFBNQMMHO-JTQLQIEISA-N 1 0 281.352 1.876 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCC[C@@H]1O ZINC001141156517 936821273 /nfs/dbraw/zinc/82/12/73/936821273.db2.gz MJHLNUHKCOWRNR-MFKMUULPSA-N 1 0 251.326 1.691 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H]3CO)ccc21 ZINC001141141071 936818558 /nfs/dbraw/zinc/81/85/58/936818558.db2.gz SZJNTRMNELSVMV-ZDUSSCGKSA-N 1 0 262.353 1.472 20 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JIWYGNXDBUXLTH-UHFFFAOYSA-N 1 0 277.324 1.765 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000840827015 936963636 /nfs/dbraw/zinc/96/36/36/936963636.db2.gz ZEMAVTXOHHCWRO-SCDSUCTJSA-N 1 0 251.326 1.765 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000840974790 936970070 /nfs/dbraw/zinc/97/00/70/936970070.db2.gz OMVLGNFTUFUSKO-UHFFFAOYSA-N 1 0 297.786 1.939 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1O ZINC000840962919 936970110 /nfs/dbraw/zinc/97/01/10/936970110.db2.gz OCBPDFGRTGUZED-KGLIPLIRSA-N 1 0 295.379 1.668 20 10 CDCDRO COCC[NH2+]CCNCc1ccc(OC)c(C)c1 ZINC000841048783 936973013 /nfs/dbraw/zinc/97/30/13/936973013.db2.gz ULUZRNLBDAFLOP-UHFFFAOYSA-N 1 0 252.358 1.329 20 10 CDCDRO CCn1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841041813 936973117 /nfs/dbraw/zinc/97/31/17/936973117.db2.gz FPWOUJYVWBHUGX-MRXNPFEDSA-N 1 0 287.411 1.759 20 10 CDCDRO [NH3+]CC[C@@H](NCc1cc2c(cc1O)OCO2)C(F)F ZINC000841073553 936974026 /nfs/dbraw/zinc/97/40/26/936974026.db2.gz ZDUDNBLQWPNBLW-MRVPVSSYSA-N 1 0 274.267 1.193 20 10 CDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N)cc2)[C@@H](C)C1 ZINC001120269340 925702215 /nfs/dbraw/zinc/70/22/15/925702215.db2.gz QEERJKOBGSJKPD-QWHCGFSZSA-N 1 0 263.385 1.156 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCCC[NH2+]C1CC1 ZINC000841918620 937022852 /nfs/dbraw/zinc/02/28/52/937022852.db2.gz QRLLTCOYIBVVHL-UHFFFAOYSA-N 1 0 277.368 1.676 20 10 CDCDRO CC(C)N(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784976 937079561 /nfs/dbraw/zinc/07/95/61/937079561.db2.gz JIBQBACSKPRPJP-AWEZNQCLSA-N 1 0 278.400 1.802 20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(C)c(C)cc1O ZINC000843122616 937114461 /nfs/dbraw/zinc/11/44/61/937114461.db2.gz DCFXCXYIUCESAE-AWEZNQCLSA-N 1 0 292.379 1.346 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NCCCSc1nccs1 ZINC000848401305 926895622 /nfs/dbraw/zinc/89/56/22/926895622.db2.gz WSZXXYYTQXSEJR-QMMMGPOBSA-N 1 0 259.400 1.349 20 10 CDCDRO COc1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)c(O)c1 ZINC000843499361 937156180 /nfs/dbraw/zinc/15/61/80/937156180.db2.gz FTGCOUXGRNZJLJ-HNNXBMFYSA-N 1 0 278.352 1.407 20 10 CDCDRO CCOc1ccc(C[NH2+]CCN(C)C(=O)OC)c(O)c1 ZINC000850389911 927426680 /nfs/dbraw/zinc/42/66/80/927426680.db2.gz KWYRXEBIKVAPGL-UHFFFAOYSA-N 1 0 282.340 1.579 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001168959149 927579378 /nfs/dbraw/zinc/57/93/78/927579378.db2.gz UAEFWMXAZFZUOS-UDZFHETQSA-N 1 0 296.323 1.166 20 10 CDCDRO CCN(C)c1ccc(C[N@H+]2CCC(=O)N(C)CC2)cc1 ZINC000852577692 927821355 /nfs/dbraw/zinc/82/13/55/927821355.db2.gz KFDAWUFBMIQFHX-UHFFFAOYSA-N 1 0 275.396 1.807 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000852634587 927831917 /nfs/dbraw/zinc/83/19/17/927831917.db2.gz IDTAUOPMFHHOOZ-HUUCEWRRSA-N 1 0 287.407 1.711 20 10 CDCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001169437239 928058413 /nfs/dbraw/zinc/05/84/13/928058413.db2.gz MSNOVSNAYRMTAM-LBPRGKRZSA-N 1 0 294.395 1.877 20 10 CDCDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cccc(F)c1O)C2 ZINC000857226407 928681863 /nfs/dbraw/zinc/68/18/63/928681863.db2.gz NDFLKVSOGLFNAK-SMDDNHRTSA-N 1 0 250.317 1.845 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000858280787 928829947 /nfs/dbraw/zinc/82/99/47/928829947.db2.gz DGSYSZWVYNJPAK-GFCCVEGCSA-N 1 0 279.384 1.840 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(CNC(=O)O3)CC2)c1 ZINC000783724947 937279367 /nfs/dbraw/zinc/27/93/67/937279367.db2.gz YVVGJTZWKDVCQU-UHFFFAOYSA-N 1 0 276.336 1.775 20 10 CDCDRO OC[C@]12C[C@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000783739029 937279401 /nfs/dbraw/zinc/27/94/01/937279401.db2.gz DUBNCNZKHIAYEL-TVQRCGJNSA-N 1 0 253.729 1.860 20 10 CDCDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccccc1O ZINC000858588346 928891675 /nfs/dbraw/zinc/89/16/75/928891675.db2.gz ZCDRWAXVIUNTAT-PWSUYJOCSA-N 1 0 266.341 1.841 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1C ZINC000697580753 937283924 /nfs/dbraw/zinc/28/39/24/937283924.db2.gz WAHJPJAFRSDTRH-LLVKDONJSA-N 1 0 271.382 1.526 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000858601665 928894142 /nfs/dbraw/zinc/89/41/42/928894142.db2.gz IDKNLCPWCLOYET-RYUDHWBXSA-N 1 0 280.368 1.118 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000858602175 928895435 /nfs/dbraw/zinc/89/54/35/928895435.db2.gz SDZPHOSELVXRKB-RYUDHWBXSA-N 1 0 280.368 1.118 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862248872 929392848 /nfs/dbraw/zinc/39/28/48/929392848.db2.gz BWEGTIIQBLSQMK-UHFFFAOYSA-N 1 0 299.365 1.989 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cn[nH]c3)cc2)CC1 ZINC000881850526 929908745 /nfs/dbraw/zinc/90/87/45/929908745.db2.gz XOPRYXXZDTZMGG-UHFFFAOYSA-N 1 0 299.378 1.092 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000883107650 930142896 /nfs/dbraw/zinc/14/28/96/930142896.db2.gz GEGPBPJWVBIPAE-SECBINFHSA-N 1 0 259.733 1.451 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CNCc1ccc(OC)c(C)c1 ZINC001253213713 930149791 /nfs/dbraw/zinc/14/97/91/930149791.db2.gz NRRPHNVKWSFEFU-OAHLLOKOSA-N 1 0 280.412 1.796 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COC2CC2)cc1 ZINC000884009768 930384027 /nfs/dbraw/zinc/38/40/27/930384027.db2.gz HIJSQXKSRJAMMV-AWEZNQCLSA-N 1 0 277.368 1.048 20 10 CDCDRO CC[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153036973 937412936 /nfs/dbraw/zinc/41/29/36/937412936.db2.gz APFNQESLEKSLKD-UHFFFAOYSA-N 1 0 263.301 1.188 20 10 CDCDRO CC[NH2+]CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817952304 930644226 /nfs/dbraw/zinc/64/42/26/930644226.db2.gz PDGKCJCLPJYZGV-ZDUSSCGKSA-N 1 0 295.402 1.922 20 10 CDCDRO C[C@@H](NC1C[NH2+]C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817955395 930644244 /nfs/dbraw/zinc/64/42/44/930644244.db2.gz XPDNCXOQKJYTLX-LLVKDONJSA-N 1 0 295.814 1.799 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(C)cc1O ZINC000817982023 930658108 /nfs/dbraw/zinc/65/81/08/930658108.db2.gz AYYXMGCPRCECNB-JSGCOSHPSA-N 1 0 264.369 1.730 20 10 CDCDRO CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)[C@@H](C)[NH3+] ZINC000818545149 930722492 /nfs/dbraw/zinc/72/24/92/930722492.db2.gz MBOWFKKEASZUPG-BXUZGUMPSA-N 1 0 263.385 1.547 20 10 CDCDRO OC[C@H](C[C@H]1CCCO1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000886670235 930934249 /nfs/dbraw/zinc/93/42/49/930934249.db2.gz LDWFDWDVSJEDNB-MJBXVCDLSA-N 1 0 277.364 1.899 20 10 CDCDRO CC[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1O ZINC000821391134 931043030 /nfs/dbraw/zinc/04/30/30/931043030.db2.gz IANBDYXADWPCAT-CYBMUJFWSA-N 1 0 252.358 1.137 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[NH+](C)C)cc1 ZINC000824209187 931411044 /nfs/dbraw/zinc/41/10/44/931411044.db2.gz XFNPTQBQBNAZRF-CYBMUJFWSA-N 1 0 293.411 1.540 20 10 CDCDRO OCCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000824559027 931459223 /nfs/dbraw/zinc/45/92/23/931459223.db2.gz CTCKAEUEUAQOJT-AWEZNQCLSA-N 1 0 298.814 1.982 20 10 CDCDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000777482891 931477876 /nfs/dbraw/zinc/47/78/76/931477876.db2.gz DAZXRDXUOZIYCU-UHFFFAOYSA-N 1 0 297.351 1.841 20 10 CDCDRO CCOc1ccc(C[NH2+]C(COC)COC)c(O)c1 ZINC000824921384 931486336 /nfs/dbraw/zinc/48/63/36/931486336.db2.gz KTILGOSBEUGQFV-UHFFFAOYSA-N 1 0 269.341 1.542 20 10 CDCDRO C[C@@]1(O)CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500398 931859538 /nfs/dbraw/zinc/85/95/38/931859538.db2.gz SWIPUGZUIFUICP-CQSZACIVSA-N 1 0 267.325 1.540 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001144503650 931863804 /nfs/dbraw/zinc/86/38/04/931863804.db2.gz AAKZIDVRQUSETR-SKDRFNHKSA-N 1 0 287.262 1.269 20 10 CDCDRO Oc1cc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001144509145 931874223 /nfs/dbraw/zinc/87/42/23/931874223.db2.gz MLKXSXAIRNGSHU-LLVKDONJSA-N 1 0 278.352 1.474 20 10 CDCDRO C[N@H+](Cc1cnccn1)Cc1c(O)cc(O)cc1O ZINC001144514669 931876587 /nfs/dbraw/zinc/87/65/87/931876587.db2.gz OBSJMWFKPGWQND-UHFFFAOYSA-N 1 0 261.281 1.225 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001144514958 931878764 /nfs/dbraw/zinc/87/87/64/931878764.db2.gz ZCRRIMFPTJMAOA-ISVAXAHUSA-N 1 0 251.282 1.024 20 10 CDCDRO CN(C)c1ccc(CN2CC3(C2)CC[N@H+](C)C3)c(O)c1 ZINC001275585082 931895210 /nfs/dbraw/zinc/89/52/10/931895210.db2.gz NHSCYQDIQVZJQO-UHFFFAOYSA-N 1 0 275.396 1.596 20 10 CDCDRO CCOc1cccc(C[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846109926 931973612 /nfs/dbraw/zinc/97/36/12/931973612.db2.gz KTTDWHRJENSZOA-MRXNPFEDSA-N 1 0 295.379 1.812 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000846097606 931979931 /nfs/dbraw/zinc/97/99/31/931979931.db2.gz SRTUJJQIOGCOBG-SNVBAGLBSA-N 1 0 266.316 1.489 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846166835 931984082 /nfs/dbraw/zinc/98/40/82/931984082.db2.gz DIHHJBMLRUPDBU-NXEZZACHSA-N 1 0 255.314 1.059 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000846146305 931986091 /nfs/dbraw/zinc/98/60/91/931986091.db2.gz RHRINUFMGALMMO-XVKPBYJWSA-N 1 0 279.258 1.975 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846212965 932000727 /nfs/dbraw/zinc/00/07/27/932000727.db2.gz ORZZITQUSHCFJE-WBMJQRKESA-N 1 0 295.379 1.983 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118179124 937599190 /nfs/dbraw/zinc/59/91/90/937599190.db2.gz LGOLNLZORSJZKG-RHSMWYFYSA-N 1 0 289.423 1.835 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCCC3(CN(C)C3)C2)c1O ZINC001276112613 932533114 /nfs/dbraw/zinc/53/31/14/932533114.db2.gz KEZHJCZSKLAGNZ-UHFFFAOYSA-N 1 0 276.380 1.934 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000044563046 932635382 /nfs/dbraw/zinc/63/53/82/932635382.db2.gz KHCYMXAYQRMBGA-AWEZNQCLSA-N 1 0 261.369 1.412 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2COCCC2(OC)OC)cc1C ZINC000931677715 933607164 /nfs/dbraw/zinc/60/71/64/933607164.db2.gz WQNUVHJTHWUQBW-HNNXBMFYSA-N 1 0 295.379 1.871 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1 ZINC000932000295 933650113 /nfs/dbraw/zinc/65/01/13/933650113.db2.gz BXNCQBABISGBHL-AWEZNQCLSA-N 1 0 276.380 1.947 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCn2cncn2)c1O ZINC001119443903 937720394 /nfs/dbraw/zinc/72/03/94/937720394.db2.gz WNZBPSAUBKEWDM-UHFFFAOYSA-N 1 0 276.340 1.481 20 10 CDCDRO CO[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000191203146 934552016 /nfs/dbraw/zinc/55/20/16/934552016.db2.gz ZBUBJNRKIKNAAO-ZDUSSCGKSA-N 1 0 264.369 1.648 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(NC(C)=O)CC2)c1 ZINC000092670234 934897349 /nfs/dbraw/zinc/89/73/49/934897349.db2.gz ZMMNHAWMRGEYQZ-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](CO)OC[C@H]2C)cc1C ZINC000305747150 935202205 /nfs/dbraw/zinc/20/22/05/935202205.db2.gz RUCRFHJVXFUUDU-OCCSQVGLSA-N 1 0 265.353 1.591 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)COCC1CC1 ZINC000113331578 935549797 /nfs/dbraw/zinc/54/97/97/935549797.db2.gz MJGMVFUHUFDKHN-NSHDSACASA-N 1 0 285.771 1.923 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)cc1Cl ZINC001276372051 935696235 /nfs/dbraw/zinc/69/62/35/935696235.db2.gz GIZXEOZHAVYZJR-BETUJISGSA-N 1 0 296.798 1.869 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000396768547 936202341 /nfs/dbraw/zinc/20/23/41/936202341.db2.gz QZKYSTDXIGVKEI-NSHDSACASA-N 1 0 264.325 1.159 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccccn2)cc1C ZINC001122583448 937943994 /nfs/dbraw/zinc/94/39/94/937943994.db2.gz PJZNTNVURKENOZ-UHFFFAOYSA-N 1 0 299.374 1.918 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001158578516 938639502 /nfs/dbraw/zinc/63/95/02/938639502.db2.gz LQDLKADDMLPSHF-TZMCWYRMSA-N 1 0 291.370 1.347 20 10 CDCDRO CN1CCc2ncnc(N3C[C@H]([NH3+])Cc4ccccc43)c2C1 ZINC001162847226 939151690 /nfs/dbraw/zinc/15/16/90/939151690.db2.gz KONBENDKOJVDIO-CYBMUJFWSA-N 1 0 295.390 1.486 20 10 CDCDRO Cc1cc(OC(F)(F)F)ccc1N(CC[NH3+])CCO ZINC001163836446 939339423 /nfs/dbraw/zinc/33/94/23/939339423.db2.gz CTNYGBLDCVKOTH-UHFFFAOYSA-N 1 0 278.274 1.651 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c(O)c1 ZINC001206683950 939503797 /nfs/dbraw/zinc/50/37/97/939503797.db2.gz OEWOYLGXAPQHSV-CYBMUJFWSA-N 1 0 285.338 1.627 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC3(CN(C)C3)C2)c1O ZINC001203599252 939695476 /nfs/dbraw/zinc/69/54/76/939695476.db2.gz FHWGZVWMIXXLMM-UHFFFAOYSA-N 1 0 262.353 1.538 20 10 CDCDRO CCOc1cccc(CN2CC[NH+](CCCO)CC2)c1O ZINC001203603044 939696087 /nfs/dbraw/zinc/69/60/87/939696087.db2.gz HGMNRWDYSFSHHP-UHFFFAOYSA-N 1 0 294.395 1.291 20 10 CDCDRO CN(Cc1cc(Br)ccc1O)C1COC1 ZINC001203642741 939699411 /nfs/dbraw/zinc/69/94/11/939699411.db2.gz NJLMYZNONPZZRE-UHFFFAOYSA-N 1 0 272.142 1.985 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c1 ZINC001203670348 939700342 /nfs/dbraw/zinc/70/03/42/939700342.db2.gz OJHLFJKQEXCWKI-JQWIXIFHSA-N 1 0 269.316 1.553 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1 ZINC001203670350 939700465 /nfs/dbraw/zinc/70/04/65/939700465.db2.gz OJHLFJKQEXCWKI-ZYHUDNBSSA-N 1 0 269.316 1.553 20 10 CDCDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882612 939711543 /nfs/dbraw/zinc/71/15/43/939711543.db2.gz NTNQJWPCGDANAD-GFCCVEGCSA-N 1 0 279.336 1.873 20 10 CDCDRO COc1cc(CN2CCCO[C@@H](C)C2)cc(O)c1O ZINC001204342409 939757839 /nfs/dbraw/zinc/75/78/39/939757839.db2.gz LNWVUIYAYMCROR-JTQLQIEISA-N 1 0 267.325 1.717 20 10 CDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(Cl)c(O)cc1O)C2 ZINC001276616691 940437518 /nfs/dbraw/zinc/43/75/18/940437518.db2.gz HZBUEKLJRMRVAO-KOLCDFICSA-N 1 0 282.771 1.887 20 10 CDCDRO COC(=O)Cc1ccc(O)c(Nc2cc[nH+]cc2OC)c1 ZINC001211260796 940743585 /nfs/dbraw/zinc/74/35/85/940743585.db2.gz SAIIVUVYTRCRKG-UHFFFAOYSA-N 1 0 288.303 1.677 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000400271320 940845922 /nfs/dbraw/zinc/84/59/22/940845922.db2.gz MSKFPYVCMZZENV-MNOVXSKESA-N 1 0 284.381 1.077 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(C(=O)N(C)C)CC2)c1O ZINC000401634544 940874066 /nfs/dbraw/zinc/87/40/66/940874066.db2.gz BVMSERRYDWPZBK-UHFFFAOYSA-N 1 0 277.368 1.500 20 10 CDCDRO [NH3+]C[C@@H](O)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217740403 941015296 /nfs/dbraw/zinc/01/52/96/941015296.db2.gz OGAYMUMNVSYMAC-GFCCVEGCSA-N 1 0 270.292 1.519 20 10 CDCDRO O=C(NC1CC2(C1)CC[NH2+]CC2)c1cc(O)c(O)c(O)c1 ZINC001219780728 941386890 /nfs/dbraw/zinc/38/68/90/941386890.db2.gz CJRCBHLTTBLFFL-UHFFFAOYSA-N 1 0 292.335 1.065 20 10 CDCDRO CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NCc2ccccc2O)C1 ZINC001219923414 941396628 /nfs/dbraw/zinc/39/66/28/941396628.db2.gz LSQBEYISUKRSKG-OLZOCXBDSA-N 1 0 292.379 1.554 20 10 CDCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222100235 941565568 /nfs/dbraw/zinc/56/55/68/941565568.db2.gz ZEAFZLVJYGOZHP-UHFFFAOYSA-N 1 0 295.814 1.573 20 10 CDCDRO COc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(OC)c1 ZINC001276993895 941787962 /nfs/dbraw/zinc/78/79/62/941787962.db2.gz HWKZLALPPWWQSK-HIFRSBDPSA-N 1 0 278.352 1.223 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)C)c1O ZINC001277452595 942605170 /nfs/dbraw/zinc/60/51/70/942605170.db2.gz XCWUCQVTWSPQIW-BLLLJJGKSA-N 1 0 290.363 1.453 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(c3ccncn3)CC2)c1O ZINC001231592156 942938913 /nfs/dbraw/zinc/93/89/13/942938913.db2.gz FGIKMNIDHOJIAO-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO Cc1cccc(C[N@H+]2CCc3c(cnn3C)C2)c1O ZINC001231594749 942939178 /nfs/dbraw/zinc/93/91/78/942939178.db2.gz ORHHLAJLBLDCJY-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO COc1cc(C[NH+]2CCSCC2)c(O)cc1O ZINC001231633654 942949924 /nfs/dbraw/zinc/94/99/24/942949924.db2.gz RQFUPFPLYNMZJV-UHFFFAOYSA-N 1 0 255.339 1.655 20 10 CDCDRO CC[N@@H+](Cc1ccccc1O)Cc1c[nH]c(=O)[nH]c1=O ZINC001231707825 942988128 /nfs/dbraw/zinc/98/81/28/942988128.db2.gz BUWQAKKSFXEWMG-UHFFFAOYSA-N 1 0 275.308 1.616 20 10 CDCDRO Cc1cc(C)c(CN2CCOC[C@H]2C[NH+](C)C)c(O)c1 ZINC001231846119 943027215 /nfs/dbraw/zinc/02/72/15/943027215.db2.gz BBYZADCDECMJER-CQSZACIVSA-N 1 0 278.396 1.771 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC001231853539 943030370 /nfs/dbraw/zinc/03/03/70/943030370.db2.gz XWLJZFZFLYBJRJ-LBPRGKRZSA-N 1 0 264.369 1.575 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001231855608 943031359 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COC(=O)[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001252442496 951278656 /nfs/dbraw/zinc/27/86/56/951278656.db2.gz TVZXVMMYINMJAQ-AWEZNQCLSA-N 1 0 275.304 1.169 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C2)cc1 ZINC001325853976 954108648 /nfs/dbraw/zinc/10/86/48/954108648.db2.gz INZWLBAERMSZFF-BFHYXJOUSA-N 1 0 278.396 1.880 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)[C@H](C)O)C2)cc1 ZINC001325853977 954108805 /nfs/dbraw/zinc/10/88/05/954108805.db2.gz INZWLBAERMSZFF-HZSPNIEDSA-N 1 0 278.396 1.880 20 10 CDCDRO CCN(C)c1ccc(C[NH2+]C(C)(C)CC(N)=O)cc1 ZINC001326555813 954430307 /nfs/dbraw/zinc/43/03/07/954430307.db2.gz RHURYSLRJMADOQ-UHFFFAOYSA-N 1 0 263.385 1.886 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CNCCO1 ZINC001331835577 957290307 /nfs/dbraw/zinc/29/03/07/957290307.db2.gz RIBGSHBEUZESPV-FRRDWIJNSA-N 1 0 276.380 1.827 20 10 CDCDRO COc1ccc(C[NH2+]CCc2cn[nH]c2)c(O)c1OC ZINC001333763587 958578765 /nfs/dbraw/zinc/57/87/65/958578765.db2.gz GMKYQXWIXVHYJA-UHFFFAOYSA-N 1 0 277.324 1.465 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cc(C)ncn2)c(O)c1OC ZINC001334199253 958927809 /nfs/dbraw/zinc/92/78/09/958927809.db2.gz CAWWZBYTUGLUTO-UHFFFAOYSA-N 1 0 289.335 1.798 20 10 CDCDRO CC[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccccc1O ZINC001321029730 959541936 /nfs/dbraw/zinc/54/19/36/959541936.db2.gz SFILJLLXNBRYRM-GFCCVEGCSA-N 1 0 288.351 1.755 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC001335288827 959687340 /nfs/dbraw/zinc/68/73/40/959687340.db2.gz HSBXHDZNHIUCKU-MRXNPFEDSA-N 1 0 289.423 1.813 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC001336289871 960289202 /nfs/dbraw/zinc/28/92/02/960289202.db2.gz BKFFWAAMWVZEQR-GFCCVEGCSA-N 1 0 262.357 1.149 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001337020187 960858410 /nfs/dbraw/zinc/85/84/10/960858410.db2.gz ZPHBSQIICFECHO-FZMZJTMJSA-N 1 0 276.384 1.680 20 10 CDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccc(N)cc1 ZINC001337070859 960912508 /nfs/dbraw/zinc/91/25/08/960912508.db2.gz YHOWLGVGKILBPY-WDEREUQCSA-N 1 0 262.357 1.161 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC(=O)NC2CCCC2)c1O ZINC001338236494 961704220 /nfs/dbraw/zinc/70/42/20/961704220.db2.gz YIPMKJXGZWNBBT-UHFFFAOYSA-N 1 0 292.379 1.858 20 10 CDCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC001344109545 964235215 /nfs/dbraw/zinc/23/52/15/964235215.db2.gz LZPQRCFBLBTJHV-NSHDSACASA-N 1 0 278.352 1.560 20 10 CDCDRO O=C(NCc1ccc(O)cc1O)C12CCC[NH+]1CCC2 ZINC001350788747 966763648 /nfs/dbraw/zinc/76/36/48/966763648.db2.gz KQLZZRNADVTOIA-UHFFFAOYSA-N 1 0 276.336 1.342 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1F ZINC001352095443 967092623 /nfs/dbraw/zinc/09/26/23/967092623.db2.gz NNXGQDFXURHPID-COPLHBTASA-N 1 0 277.343 1.116 20 10 CDCDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001528781210 968929548 /nfs/dbraw/zinc/92/95/48/968929548.db2.gz LHWJMJGHKPNZPM-ZDUSSCGKSA-N 1 0 292.379 1.836 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)c1O ZINC000848918778 969354488 /nfs/dbraw/zinc/35/44/88/969354488.db2.gz LUPOLQYGQITSLD-LBPRGKRZSA-N 1 0 276.380 1.913 20 10 CDCDRO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(C(=O)[O-])ccc1O ZINC001593262563 994554907 /nfs/dbraw/zinc/55/49/07/994554907.db2.gz SURWCSURDBQFAG-JTQLQIEISA-N 1 0 278.352 1.870 20 10 CDCDRO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(C(=O)[O-])ccc1O ZINC001593265160 994570636 /nfs/dbraw/zinc/57/06/36/994570636.db2.gz QJUFFIAEPOCEMI-QWRGUYRKSA-N 1 0 278.352 1.741 20 10 CDCDRO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483612 342429088 /nfs/dbraw/zinc/42/90/88/342429088.db2.gz LDUNBEABWGCGJP-CALCHBBNSA-N 1 0 285.343 1.597 20 10 CDCDRO COc1ccc(C[NH2+]CCS(=O)(=O)C(C)C)cc1C ZINC000290131591 362177893 /nfs/dbraw/zinc/17/78/93/362177893.db2.gz JTRQZZLNQZLZIU-UHFFFAOYSA-N 1 0 285.409 1.916 20 10 CDCDRO COc1ccc(C[NH2+]CCS(C)(=O)=O)cc1C ZINC000037740942 356922683 /nfs/dbraw/zinc/92/26/83/356922683.db2.gz JHZLIQDMBXJEPS-UHFFFAOYSA-N 1 0 257.355 1.138 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179895309 357230046 /nfs/dbraw/zinc/23/00/46/357230046.db2.gz RHBASPFFJHRIIM-LBPRGKRZSA-N 1 0 266.316 1.584 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CCNC(=O)C(C)C)c1 ZINC000180797633 357289176 /nfs/dbraw/zinc/28/91/76/357289176.db2.gz LUCHZXZRDNTJDT-UHFFFAOYSA-N 1 0 280.368 1.605 20 10 CDCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000185364213 357536883 /nfs/dbraw/zinc/53/68/83/357536883.db2.gz MHWWTYPFBQYYNT-OLZOCXBDSA-N 1 0 295.402 1.818 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000187041866 357720559 /nfs/dbraw/zinc/72/05/59/357720559.db2.gz PKSDQSMLVISTKE-LBPRGKRZSA-N 1 0 292.379 1.948 20 10 CDCDRO CN1CCCc2cc(CNC(=O)c3c[nH+]ccc3N)ccc21 ZINC000188136241 357851250 /nfs/dbraw/zinc/85/12/50/357851250.db2.gz KIKZZUBCUJMXCC-UHFFFAOYSA-N 1 0 296.374 1.976 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000189857331 358042477 /nfs/dbraw/zinc/04/24/77/358042477.db2.gz MVRAHMAOOMCLBG-ZDUSSCGKSA-N 1 0 294.395 1.289 20 10 CDCDRO COc1cccc(CN2CCC[C@@]23CCOC3=O)c1O ZINC000190030431 358050148 /nfs/dbraw/zinc/05/01/48/358050148.db2.gz WVUBIIBSARZVTC-HNNXBMFYSA-N 1 0 277.320 1.682 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364211804 358087329 /nfs/dbraw/zinc/08/73/29/358087329.db2.gz IXBKCVKUNRCLCP-FUHWJXTLSA-N 1 0 299.418 1.903 20 10 CDCDRO COc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1O ZINC000020120645 358329597 /nfs/dbraw/zinc/32/95/97/358329597.db2.gz FVJOIKZCIJSFBO-UHFFFAOYSA-N 1 0 294.395 1.601 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H](O)C2)cc1 ZINC000294884588 199231823 /nfs/dbraw/zinc/23/18/23/199231823.db2.gz VXOXKZUBIAEISK-MRXNPFEDSA-N 1 0 278.396 1.726 20 10 CDCDRO C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC000111235098 359197001 /nfs/dbraw/zinc/19/70/01/359197001.db2.gz LSVJMRXALDOGIW-BETUJISGSA-N 1 0 292.379 1.460 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000091927840 360256691 /nfs/dbraw/zinc/25/66/91/360256691.db2.gz WHKUQZJOHJSEED-DZGCQCFKSA-N 1 0 293.363 1.781 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1ccccc1O ZINC000530227802 361497275 /nfs/dbraw/zinc/49/72/75/361497275.db2.gz VWEMXEUIVAHANG-YPMHNXCESA-N 1 0 250.342 1.421 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)COC)cc1 ZINC000268895041 364109526 /nfs/dbraw/zinc/10/95/26/364109526.db2.gz KKCACAYBZCHPGX-IUODEOHRSA-N 1 0 266.385 1.801 20 10 CDCDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000272884097 365431370 /nfs/dbraw/zinc/43/13/70/365431370.db2.gz RHCJALKCYNNSAO-ZDUSSCGKSA-N 1 0 291.395 1.207 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCSCC2)cc1 ZINC000226246995 367360943 /nfs/dbraw/zinc/36/09/43/367360943.db2.gz MUTYJMSEUHSKRN-UHFFFAOYSA-N 1 0 279.453 1.891 20 10 CDCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(=O)NCCF ZINC000282437423 367885109 /nfs/dbraw/zinc/88/51/09/367885109.db2.gz DOZMPDXZSPDZCP-RKDXNWHRSA-N 1 0 272.295 1.656 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000638132990 368533692 /nfs/dbraw/zinc/53/36/92/368533692.db2.gz POLAPTCNQBSWAL-LLVKDONJSA-N 1 0 277.368 1.476 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)C[NH3+])cc1 ZINC000285809110 368660390 /nfs/dbraw/zinc/66/03/90/368660390.db2.gz RJEGCGZYXGDHHS-LBPRGKRZSA-N 1 0 263.385 1.744 20 10 CDCDRO Cn1ncc(CCC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000297433343 371991072 /nfs/dbraw/zinc/99/10/72/371991072.db2.gz VNOHNGLLGONNJS-CYBMUJFWSA-N 1 0 272.352 1.730 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCCNC2=O)cc1F ZINC000123879821 374733470 /nfs/dbraw/zinc/73/34/70/374733470.db2.gz HSVGDZAMSOQEIZ-HNNXBMFYSA-N 1 0 293.386 1.992 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000123965055 374743849 /nfs/dbraw/zinc/74/38/49/374743849.db2.gz BXQILSBSCLRYQV-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO OCc1cn([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)nn1 ZINC000293541722 378573760 /nfs/dbraw/zinc/57/37/60/378573760.db2.gz CVQXXUGAURGAKX-CQSZACIVSA-N 1 0 288.351 1.313 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000373737050 391129134 /nfs/dbraw/zinc/12/91/34/391129134.db2.gz FOQAKHQTPPZLJT-NUEKZKHPSA-N 1 0 287.407 1.838 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(N(C)C)CCC2)c1 ZINC000097928363 391237810 /nfs/dbraw/zinc/23/78/10/391237810.db2.gz RWLIEABCWAZPKE-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(N2CCOCC2)cc1 ZINC000179577274 391212973 /nfs/dbraw/zinc/21/29/73/391212973.db2.gz GXVMXWIGUWVDHE-QWHCGFSZSA-N 1 0 264.369 1.555 20 10 CDCDRO COCCOC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179581589 391213261 /nfs/dbraw/zinc/21/32/61/391213261.db2.gz KYKXWYDOUNANRO-ZDUSSCGKSA-N 1 0 265.353 1.877 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000183378996 391263496 /nfs/dbraw/zinc/26/34/96/391263496.db2.gz FCEKHJUVPOAVCC-ZDUSSCGKSA-N 1 0 292.379 1.749 20 10 CDCDRO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccccc1O ZINC000183612578 391266795 /nfs/dbraw/zinc/26/67/95/391266795.db2.gz OKKYUXLJKHUMCY-LLVKDONJSA-N 1 0 287.381 1.104 20 10 CDCDRO COc1cccc(C[NH2+]CCCn2ccnc2)c1O ZINC000020506272 171228558 /nfs/dbraw/zinc/22/85/58/171228558.db2.gz OIUZTMVUWZFFAY-UHFFFAOYSA-N 1 0 261.325 1.777 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1C ZINC000278566668 263049120 /nfs/dbraw/zinc/04/91/20/263049120.db2.gz DCMAWTIOJARLPY-IUODEOHRSA-N 1 0 265.353 1.639 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1OC ZINC000292770317 263134831 /nfs/dbraw/zinc/13/48/31/263134831.db2.gz KLPAVGQDZNGDHA-JQWIXIFHSA-N 1 0 281.352 1.755 20 10 CDCDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(F)ccc1O ZINC000293864273 263151445 /nfs/dbraw/zinc/15/14/45/263151445.db2.gz ZEDPFAZKWGIEJE-SNVBAGLBSA-N 1 0 278.331 1.943 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000286128266 278243250 /nfs/dbraw/zinc/24/32/50/278243250.db2.gz OTPFBFBKZMRYPQ-JTQLQIEISA-N 1 0 263.341 1.073 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000377724637 329027055 /nfs/dbraw/zinc/02/70/55/329027055.db2.gz OYMFGTGIFXSMQJ-CQSZACIVSA-N 1 0 286.379 1.803 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1F ZINC000377847930 329031782 /nfs/dbraw/zinc/03/17/82/329031782.db2.gz RNSFWLQNYALKCM-GFCCVEGCSA-N 1 0 279.359 1.589 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000378452024 329050965 /nfs/dbraw/zinc/05/09/65/329050965.db2.gz FYQFHEABFRCLSC-XJKSGUPXSA-N 1 0 293.363 1.829 20 10 CDCDRO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000189074577 329375552 /nfs/dbraw/zinc/37/55/52/329375552.db2.gz HMNFIFMVKXTWTO-LBPRGKRZSA-N 1 0 261.369 1.463 20 10 CDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000135712482 334136978 /nfs/dbraw/zinc/13/69/78/334136978.db2.gz ASTXAFRMCOQHMO-LBPRGKRZSA-N 1 0 261.369 1.640 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC(C)(C)[NH3+] ZINC000237101359 482637507 /nfs/dbraw/zinc/63/75/07/482637507.db2.gz YHQWRRIOJSGGGT-UHFFFAOYSA-N 1 0 277.368 1.605 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000701678873 1161508434 /nfs/dbraw/zinc/50/84/34/1161508434.db2.gz CDFDCFJPNPNBFA-UHFFFAOYSA-N 1 0 268.313 1.189 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCC1(O)CCC1 ZINC000790638290 1162164034 /nfs/dbraw/zinc/16/40/34/1162164034.db2.gz YGFVDRQWHJLCIA-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000299492060 522199705 /nfs/dbraw/zinc/19/97/05/522199705.db2.gz GHSDICXUIBCEEC-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000071266236 522421007 /nfs/dbraw/zinc/42/10/07/522421007.db2.gz YKEZBUIQKFKOPE-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)cc1OC ZINC000276815098 522776634 /nfs/dbraw/zinc/77/66/34/522776634.db2.gz FHQMDAUIRRYFKG-GASCZTMLSA-N 1 0 297.351 1.255 20 10 CDCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000285841938 524305132 /nfs/dbraw/zinc/30/51/32/524305132.db2.gz WMJMLWTVTYDHAO-GFCCVEGCSA-N 1 0 261.369 1.498 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCCO)CC2)cc1F ZINC000267977645 524424359 /nfs/dbraw/zinc/42/43/59/524424359.db2.gz WFHAPAHVXDIFNE-UHFFFAOYSA-N 1 0 282.359 1.729 20 10 CDCDRO C[C@@H]([NH2+]CCOCCO)c1ccc(N(C)C)cc1 ZINC000037239922 525453126 /nfs/dbraw/zinc/45/31/26/525453126.db2.gz YNWAPLWXMJABFH-GFCCVEGCSA-N 1 0 252.358 1.412 20 10 CDCDRO COc1cccc(C[NH2+][C@]2(CCO)CCOC2)c1O ZINC000278544503 526041756 /nfs/dbraw/zinc/04/17/56/526041756.db2.gz YAGQELGBCMYQOO-CQSZACIVSA-N 1 0 267.325 1.032 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCc1cnccn1 ZINC000774834299 575244886 /nfs/dbraw/zinc/24/48/86/575244886.db2.gz YJQDTHINSNFEGN-UHFFFAOYSA-N 1 0 259.309 1.523 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000769524590 575356665 /nfs/dbraw/zinc/35/66/65/575356665.db2.gz PHWVLTDUHGTKBG-LLVKDONJSA-N 1 0 278.352 1.488 20 10 CDCDRO CCOCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000771641411 575599823 /nfs/dbraw/zinc/59/98/23/575599823.db2.gz LFTJCPARKPDKEQ-ZDUSSCGKSA-N 1 0 267.325 1.286 20 10 CDCDRO CCOc1ccc(C[N@H+](CCO)C(C)C)c(O)c1 ZINC000768176069 576262701 /nfs/dbraw/zinc/26/27/01/576262701.db2.gz YPEBKHQWLYXFHA-UHFFFAOYSA-N 1 0 253.342 1.994 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768446218 576283897 /nfs/dbraw/zinc/28/38/97/576283897.db2.gz LCXPKFKSIRWELT-QMTHXVAHSA-N 1 0 279.336 1.286 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000768841713 576312368 /nfs/dbraw/zinc/31/23/68/576312368.db2.gz NGTFPJNTGMCOAA-LBPRGKRZSA-N 1 0 291.347 1.935 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000742156982 576583441 /nfs/dbraw/zinc/58/34/41/576583441.db2.gz DDTQXJYCSMCCKD-CYBMUJFWSA-N 1 0 288.347 1.788 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COCCO2)cc1C ZINC000742367595 576597806 /nfs/dbraw/zinc/59/78/06/576597806.db2.gz FIERKFFOUSMLDE-ZDUSSCGKSA-N 1 0 251.326 1.514 20 10 CDCDRO C[C@@H](C(=O)NCCCSc1nccs1)[NH+](C)C ZINC000750021321 576972554 /nfs/dbraw/zinc/97/25/54/576972554.db2.gz FVTNAUPEYIIYFY-VIFPVBQESA-N 1 0 273.427 1.692 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000757926779 577061517 /nfs/dbraw/zinc/06/15/17/577061517.db2.gz OMKJAPLUBCTYEY-INIZCTEOSA-N 1 0 294.395 1.810 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000820141790 598161708 /nfs/dbraw/zinc/16/17/08/598161708.db2.gz IHULAUOLMJGCGO-GFCCVEGCSA-N 1 0 277.368 1.001 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1ccccc1O ZINC000892099764 617481174 /nfs/dbraw/zinc/48/11/74/617481174.db2.gz YBXGOLGBZMMVRK-GHMZBOCLSA-N 1 0 265.357 1.750 20 10 CDCDRO Cn1nc2c(c1C[N@H+](C)Cc1ccccc1O)COCC2 ZINC000891713641 617551139 /nfs/dbraw/zinc/55/11/39/617551139.db2.gz IZSZNUQMHYIKOS-UHFFFAOYSA-N 1 0 287.363 1.830 20 10 CDCDRO COCC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892784871 617746533 /nfs/dbraw/zinc/74/65/33/617746533.db2.gz ONYJZRQUDGSSIR-JTQLQIEISA-N 1 0 269.341 1.924 20 10 CDCDRO OCc1c[nH+]ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000891968052 617902671 /nfs/dbraw/zinc/90/26/71/617902671.db2.gz ULODZHIYBNPJDJ-UHFFFAOYSA-N 1 0 299.374 1.445 20 10 CDCDRO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000891980557 617932190 /nfs/dbraw/zinc/93/21/90/617932190.db2.gz FTQGLLXYUQZBIH-VXGBXAGGSA-N 1 0 289.379 1.806 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000840976435 617976738 /nfs/dbraw/zinc/97/67/38/617976738.db2.gz BWKGEKGSEXZCND-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cccc(OC)c1O ZINC000922589162 618274524 /nfs/dbraw/zinc/27/45/24/618274524.db2.gz HVVPWZPSRKPSHW-CQSZACIVSA-N 1 0 294.395 1.601 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1O ZINC000922589373 618275368 /nfs/dbraw/zinc/27/53/68/618275368.db2.gz KDWHJTWCSPAISE-CQSZACIVSA-N 1 0 264.369 1.593 20 10 CDCDRO CCOc1ccc(CN[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC000841043902 618678315 /nfs/dbraw/zinc/67/83/15/618678315.db2.gz YZMXHKDNNFFIAI-GFCCVEGCSA-N 1 0 250.342 1.633 20 10 CDCDRO COC[C@]1(CNCc2cccc(OC)c2O)CCC[NH2+]1 ZINC000841067218 618680220 /nfs/dbraw/zinc/68/02/20/618680220.db2.gz KUJGWNDFSLROOL-OAHLLOKOSA-N 1 0 280.368 1.259 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894361158 618820656 /nfs/dbraw/zinc/82/06/56/618820656.db2.gz DVSOGGSIKIQWLD-QWHCGFSZSA-N 1 0 292.379 1.714 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894368730 618825861 /nfs/dbraw/zinc/82/58/61/618825861.db2.gz OHEGRJHTEVHSTO-GFCCVEGCSA-N 1 0 269.341 1.196 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894461576 618900135 /nfs/dbraw/zinc/90/01/35/618900135.db2.gz IEYXKZIJCXDXJI-HIFRSBDPSA-N 1 0 295.379 1.993 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1O ZINC000894993869 619182380 /nfs/dbraw/zinc/18/23/80/619182380.db2.gz KYCUYIOFTVGFPK-JSGCOSHPSA-N 1 0 295.379 1.586 20 10 CDCDRO COc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)c(O)c1OC ZINC000895231310 619467499 /nfs/dbraw/zinc/46/74/99/619467499.db2.gz YAARAHVMKVBBEQ-SNVBAGLBSA-N 1 0 281.352 1.755 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1cc(Cl)ccc1O ZINC000896715350 620211326 /nfs/dbraw/zinc/21/13/26/620211326.db2.gz QTGOCDIALGGFGH-UHFFFAOYSA-N 1 0 256.733 1.743 20 10 CDCDRO COc1cccc(O)c1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032634 621025118 /nfs/dbraw/zinc/02/51/18/621025118.db2.gz IKSCPTMROVXYGY-NSHDSACASA-N 1 0 250.342 1.633 20 10 CDCDRO COc1ccc(O)c(CN2CC(N3CCCC3=O)C2)c1 ZINC000897784722 621120556 /nfs/dbraw/zinc/12/05/56/621120556.db2.gz ZPYPDIGGHQRUBL-UHFFFAOYSA-N 1 0 276.336 1.207 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cn(C)cn2)c(O)c1OC ZINC000898042570 621307485 /nfs/dbraw/zinc/30/74/85/621307485.db2.gz SAVCBAOUQOQVEE-UHFFFAOYSA-N 1 0 277.324 1.433 20 10 CDCDRO C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1O ZINC000901125769 623882168 /nfs/dbraw/zinc/88/21/68/623882168.db2.gz YKNYPDXASHQYOO-UHFFFAOYSA-N 1 0 288.351 1.080 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CCCON)CC2)cc1 ZINC000902417632 624780760 /nfs/dbraw/zinc/78/07/60/624780760.db2.gz BGSHAGHVOQZLFX-UHFFFAOYSA-N 1 0 279.384 1.534 20 10 CDCDRO COC[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000902564599 624949581 /nfs/dbraw/zinc/94/95/81/624949581.db2.gz UMHDFFINPMUPBC-CQSZACIVSA-N 1 0 265.353 1.856 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCCOCC1)CC2 ZINC000903227735 625925604 /nfs/dbraw/zinc/92/56/04/625925604.db2.gz NLXCXFGNWYECMZ-AWEZNQCLSA-N 1 0 276.380 1.691 20 10 CDCDRO C[C@@H](O)C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905703277 626932382 /nfs/dbraw/zinc/93/23/82/626932382.db2.gz HKSAPIVTIRQPIZ-IUODEOHRSA-N 1 0 265.401 1.326 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)N(C)C ZINC000921814465 633317229 /nfs/dbraw/zinc/31/72/29/633317229.db2.gz BDNRRRNLFBSRCY-LLVKDONJSA-N 1 0 262.353 1.578 20 10 CDCDRO CC[C@@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CCO1 ZINC001170171724 1162298979 /nfs/dbraw/zinc/29/89/79/1162298979.db2.gz ZRDHPYDPFFOWJA-NWDGAFQWSA-N 1 0 281.352 1.893 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000793384915 1162417360 /nfs/dbraw/zinc/41/73/60/1162417360.db2.gz PUWMLVAZQWWYAC-AWEZNQCLSA-N 1 0 264.325 1.098 20 10 CDCDRO COc1ccc(C[NH2+]Cc2ccc(CO)o2)c(O)c1 ZINC000793386552 1162417669 /nfs/dbraw/zinc/41/76/69/1162417669.db2.gz WKPACXTUHMGNMM-UHFFFAOYSA-N 1 0 263.293 1.776 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([NH3+])CC1 ZINC000841828049 1160650279 /nfs/dbraw/zinc/65/02/79/1160650279.db2.gz QKONRCLZWGKWPH-UHFFFAOYSA-N 1 0 290.411 1.694 20 10 CDCDRO COc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2)c1O ZINC000786410871 1162045353 /nfs/dbraw/zinc/04/53/53/1162045353.db2.gz VFDNVFHRGZVYSD-UHFFFAOYSA-N 1 0 297.314 1.979 20 10 CDCDRO O[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865749791 1164688559 /nfs/dbraw/zinc/68/85/59/1164688559.db2.gz JBEMSNMHNFBXAM-IAGOWNOFSA-N 1 0 290.407 1.916 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000037187848 1165762339 /nfs/dbraw/zinc/76/23/39/1165762339.db2.gz HEJFYWYWQDZLSC-WCQYABFASA-N 1 0 282.409 1.590 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000876767105 1165910751 /nfs/dbraw/zinc/91/07/51/1165910751.db2.gz BBPNGHXMDLSYEN-UHFFFAOYSA-N 1 0 299.378 1.240 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000876773241 1165913037 /nfs/dbraw/zinc/91/30/37/1165913037.db2.gz XENPRUQLJNFJAQ-UHFFFAOYSA-N 1 0 291.395 1.082 20 10 CDCDRO Cn1ncnc1C[NH2+]CCCSc1nccs1 ZINC000877061618 1165968483 /nfs/dbraw/zinc/96/84/83/1165968483.db2.gz NQENTTKZIKHZSV-UHFFFAOYSA-N 1 0 269.399 1.544 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877066363 1165968913 /nfs/dbraw/zinc/96/89/13/1165968913.db2.gz KCSMFDHJGKIDOJ-GFCCVEGCSA-N 1 0 253.342 1.842 20 10 CDCDRO CN(C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1)c1ccc(N)cc1 ZINC000877077571 1165971194 /nfs/dbraw/zinc/97/11/94/1165971194.db2.gz NHYDIBVKMIHCHK-JTQLQIEISA-N 1 0 285.351 1.345 20 10 CDCDRO Cc1ccc(C[NH2+]CC2(CO)CCOCC2)c(O)c1 ZINC000877116543 1165979526 /nfs/dbraw/zinc/97/95/26/1165979526.db2.gz PWMOCDBXVIWHPR-UHFFFAOYSA-N 1 0 265.353 1.579 20 10 CDCDRO CC(C)(CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877148197 1165983324 /nfs/dbraw/zinc/98/33/24/1165983324.db2.gz GXEQENBCHYVNFA-UHFFFAOYSA-N 1 0 278.396 1.508 20 10 CDCDRO COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(C)cc1O ZINC000877460627 1166041072 /nfs/dbraw/zinc/04/10/72/1166041072.db2.gz VIALJLNNHLRYIR-OCCSQVGLSA-N 1 0 279.336 1.199 20 10 CDCDRO COc1cc(O)c(C[NH2+]Cc2ncc[nH]2)cc1OC ZINC000877674353 1166077084 /nfs/dbraw/zinc/07/70/84/1166077084.db2.gz UQPOYBHYLOUACL-UHFFFAOYSA-N 1 0 263.297 1.422 20 10 CDCDRO Cc1ccc(C(=O)NC2(c3ccccc3)C[NH2+]C2)c(O)c1O ZINC001579661123 1172236451 /nfs/dbraw/zinc/23/64/51/1172236451.db2.gz INLIOFRGKRYANB-UHFFFAOYSA-N 1 0 298.342 1.635 20 10 CDCDRO [NH3+][C@H](CC(=O)NCc1ccccc1O)Cc1ccccc1 ZINC001580405542 1172425199 /nfs/dbraw/zinc/42/51/99/1172425199.db2.gz UDQDHNINIAMCMW-HNNXBMFYSA-N 1 0 284.359 1.969 20 10 CDCDRO O=C(NCc1c(O)cccc1O)c1cccc2c1CC[NH2+]C2 ZINC001580708370 1172519924 /nfs/dbraw/zinc/51/99/24/1172519924.db2.gz NPJYVAIZYREGMU-UHFFFAOYSA-N 1 0 298.342 1.674 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000234876480 1178228429 /nfs/dbraw/zinc/22/84/29/1178228429.db2.gz HRPMZVMVWVSBHL-CQSZACIVSA-N 1 0 264.369 1.384 20 10 CDCDRO COc1ccc(N2CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000162640502 1180189900 /nfs/dbraw/zinc/18/99/00/1180189900.db2.gz IQUDBGPWVKOPCR-HOCLYGCPSA-N 1 0 289.423 1.958 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000302295168 1186488708 /nfs/dbraw/zinc/48/87/08/1186488708.db2.gz LXTJNDMNHKSZQF-VIFPVBQESA-N 1 0 259.733 1.533 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000071269472 1164347928 /nfs/dbraw/zinc/34/79/28/1164347928.db2.gz WCGWGEGZYBTUGD-HNNXBMFYSA-N 1 0 264.369 1.384 20 10 CDCDRO Cc1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)c(O)c1 ZINC000876930228 1165941032 /nfs/dbraw/zinc/94/10/32/1165941032.db2.gz UKYODDHFMUQCSJ-UHFFFAOYSA-N 1 0 278.352 1.072 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1Cl ZINC000877763625 1166096489 /nfs/dbraw/zinc/09/64/89/1166096489.db2.gz DTBJRJSNERUQQB-TXEJJXNPSA-N 1 0 285.771 1.387 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)cc1C ZINC000817367091 783860507 /nfs/dbraw/zinc/86/05/07/783860507.db2.gz BDJPDUNWMSVRAD-ZDUSSCGKSA-N 1 0 278.352 1.420 20 10 CDCDRO CN(C(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(N)cc1 ZINC000877078734 783878552 /nfs/dbraw/zinc/87/85/52/783878552.db2.gz BWWUAPSCBDJGKC-ZDUSSCGKSA-N 1 0 263.341 1.000 20 10 CDCDRO Cc1cc(C(=O)N(C)C[C@@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000877103162 784109971 /nfs/dbraw/zinc/10/99/71/784109971.db2.gz KGGWOHOIGXBUIA-LLVKDONJSA-N 1 0 286.379 1.908 20 10 CDCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)ccc(O)c1O ZINC000825481483 784116991 /nfs/dbraw/zinc/11/69/91/784116991.db2.gz KQVKRGZCWREKCO-NXEZZACHSA-N 1 0 294.326 1.594 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C(=O)NC ZINC000825316195 784135541 /nfs/dbraw/zinc/13/55/41/784135541.db2.gz LTSJZLWORQAKQV-LBPRGKRZSA-N 1 0 250.342 1.623 20 10 CDCDRO COc1cccc(O)c1C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000816653610 784189182 /nfs/dbraw/zinc/18/91/82/784189182.db2.gz AOYZPPGHHQJMAN-TXEJJXNPSA-N 1 0 264.369 1.925 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c(O)c1 ZINC000841983616 784309971 /nfs/dbraw/zinc/30/99/71/784309971.db2.gz DWFPIXJIZXZDKW-CMPLNLGQSA-N 1 0 293.367 1.341 20 10 CDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(N)cc1 ZINC000092633757 784342669 /nfs/dbraw/zinc/34/26/69/784342669.db2.gz AIXZLYVUWITGKH-ZDUSSCGKSA-N 1 0 262.357 1.827 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000877478141 784362047 /nfs/dbraw/zinc/36/20/47/784362047.db2.gz BMPJCNIPDPGOGB-UHFFFAOYSA-N 1 0 276.380 1.655 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840910057 784416121 /nfs/dbraw/zinc/41/61/21/784416121.db2.gz DYNNYJYCTAYYHM-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000834861840 784782608 /nfs/dbraw/zinc/78/26/08/784782608.db2.gz NOAHCKQGVOGMKA-SNVBAGLBSA-N 1 0 275.274 1.207 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000883403242 784802205 /nfs/dbraw/zinc/80/22/05/784802205.db2.gz NKVDHVIAPJEASX-ZDUSSCGKSA-N 1 0 290.363 1.501 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000865710885 784814453 /nfs/dbraw/zinc/81/44/53/784814453.db2.gz FWCIWHQEQNQJEQ-HQJQHLMTSA-N 1 0 279.258 1.802 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000809785510 784853595 /nfs/dbraw/zinc/85/35/95/784853595.db2.gz VLASNEUFDCWKAR-SNVBAGLBSA-N 1 0 264.325 1.098 20 10 CDCDRO COc1cc(O)c(CN2CCC([NH3+])CC2)cc1OC ZINC000843047657 784908312 /nfs/dbraw/zinc/90/83/12/784908312.db2.gz ULRQXZVVQSNAFJ-UHFFFAOYSA-N 1 0 266.341 1.333 20 10 CDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000831117408 785141844 /nfs/dbraw/zinc/14/18/44/785141844.db2.gz VXRQKRQREJXROY-GHMZBOCLSA-N 1 0 296.390 1.817 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843355822 785195161 /nfs/dbraw/zinc/19/51/61/785195161.db2.gz KAIJUPWUNOOGLS-OTYXRUKQSA-N 1 0 296.342 1.282 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000877786596 785431568 /nfs/dbraw/zinc/43/15/68/785431568.db2.gz PMSWGUKHHWFYPC-UHFFFAOYSA-N 1 0 278.352 1.590 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000120208111 785560795 /nfs/dbraw/zinc/56/07/95/785560795.db2.gz GPVAUSVCJXIXFO-UHFFFAOYSA-N 1 0 270.760 1.907 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCN2CC[C@@H](C)C2)c1 ZINC000777483349 785664748 /nfs/dbraw/zinc/66/47/48/785664748.db2.gz NSIQVVWYWINJPG-GFCCVEGCSA-N 1 0 264.369 1.832 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c1O ZINC000846155658 785838765 /nfs/dbraw/zinc/83/87/65/785838765.db2.gz BODYRMWFVGADEE-QMTHXVAHSA-N 1 0 267.325 1.203 20 10 CDCDRO CSC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997183 785848954 /nfs/dbraw/zinc/84/89/54/785848954.db2.gz UKWJYNXYZWQURY-LBPRGKRZSA-N 1 0 253.367 1.435 20 10 CDCDRO COC(=O)COc1ccc(N(C)C[C@@H]2CCC[NH2+]2)cc1 ZINC000843119120 785874510 /nfs/dbraw/zinc/87/45/10/785874510.db2.gz DSKDLMWRUQQPBX-LBPRGKRZSA-N 1 0 278.352 1.427 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005792 785880955 /nfs/dbraw/zinc/88/09/55/785880955.db2.gz YJZUAYDAUKSXQA-CQSZACIVSA-N 1 0 261.369 1.640 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COCC[C@H]2O)c2c1c(F)ccc2O ZINC000866498577 785889111 /nfs/dbraw/zinc/88/91/11/785889111.db2.gz ZWPFGXVJYKYULQ-SASUGWTJSA-N 1 0 281.327 1.819 20 10 CDCDRO CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817946465 785961841 /nfs/dbraw/zinc/96/18/41/785961841.db2.gz XWEZIUIFKQRBEL-CYBMUJFWSA-N 1 0 295.358 1.004 20 10 CDCDRO COc1ccccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000037874579 786019598 /nfs/dbraw/zinc/01/95/98/786019598.db2.gz CXCVHDKMSBUGPX-GFCCVEGCSA-N 1 0 250.342 1.564 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCN(CCO)C(C)(C)C2)c(O)c1 ZINC000877460514 786047743 /nfs/dbraw/zinc/04/77/43/786047743.db2.gz UFJWZNHUDVKZRL-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000839196979 786071913 /nfs/dbraw/zinc/07/19/13/786071913.db2.gz ZAGOEYYYTQPEPN-NSHDSACASA-N 1 0 264.325 1.017 20 10 CDCDRO CN(C)c1ccc(CNC[C@@H](O)C[N@H+](C)C2CC2)cc1F ZINC000818984589 786110961 /nfs/dbraw/zinc/11/09/61/786110961.db2.gz CULCTHKAJGHUFO-CQSZACIVSA-N 1 0 295.402 1.436 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC000848909169 786142727 /nfs/dbraw/zinc/14/27/27/786142727.db2.gz MKZIMNOUJUONPD-CQSZACIVSA-N 1 0 253.317 1.861 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000069141257 786179365 /nfs/dbraw/zinc/17/93/65/786179365.db2.gz MKOTZRDHYHHYKR-LBPRGKRZSA-N 1 0 269.366 1.367 20 10 CDCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000788266755 786340122 /nfs/dbraw/zinc/34/01/22/786340122.db2.gz BJCUXMSMLAKBHU-GXTWGEPZSA-N 1 0 294.370 1.617 20 10 CDCDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016368283 786381045 /nfs/dbraw/zinc/38/10/45/786381045.db2.gz NMCHUXMYIMBJKM-LBPRGKRZSA-N 1 0 289.339 1.673 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]3O)CC2)cc1 ZINC000818231431 786394143 /nfs/dbraw/zinc/39/41/43/786394143.db2.gz RQDQSOPEFFASMW-HZPDHXFCSA-N 1 0 276.380 1.777 20 10 CDCDRO Nc1ccc(CCNC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000846175444 786523850 /nfs/dbraw/zinc/52/38/50/786523850.db2.gz ZJGCGVKAQZIYCX-UHFFFAOYSA-N 1 0 290.411 1.500 20 10 CDCDRO CO[C@@H](C)CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832285767 786599782 /nfs/dbraw/zinc/59/97/82/786599782.db2.gz UCYHNZRDJYDZIE-WFASDCNBSA-N 1 0 293.411 1.684 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c1C ZINC000840804316 786604959 /nfs/dbraw/zinc/60/49/59/786604959.db2.gz CUXHRDALANEPDQ-QWHCGFSZSA-N 1 0 290.367 1.312 20 10 CDCDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381136427 786714166 /nfs/dbraw/zinc/71/41/66/786714166.db2.gz IXXVXEPVPGCCTM-TZMCWYRMSA-N 1 0 275.396 1.899 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708434923 786845152 /nfs/dbraw/zinc/84/51/52/786845152.db2.gz WUJYCLFWMUGGHC-UHFFFAOYSA-N 1 0 284.306 1.628 20 10 CDCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000876997285 786861893 /nfs/dbraw/zinc/86/18/93/786861893.db2.gz SBAFXVYAKAYQSG-AWEZNQCLSA-N 1 0 261.369 1.268 20 10 CDCDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876635827 786951620 /nfs/dbraw/zinc/95/16/20/786951620.db2.gz JWQCMIYUKFHLIJ-INIZCTEOSA-N 1 0 290.407 1.604 20 10 CDCDRO C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C[NH3+] ZINC000237701311 787015448 /nfs/dbraw/zinc/01/54/48/787015448.db2.gz OGNBILOKKYCIJL-SMDDNHRTSA-N 1 0 261.369 1.397 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2CCN2C)c(O)c1 ZINC000922576214 787057222 /nfs/dbraw/zinc/05/72/22/787057222.db2.gz YNBFITONGKMISR-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000858282238 787070319 /nfs/dbraw/zinc/07/03/19/787070319.db2.gz VEYFNSBDLQLOBY-MWLCHTKSSA-N 1 0 285.365 1.066 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2COC)c1 ZINC000846053438 787109338 /nfs/dbraw/zinc/10/93/38/787109338.db2.gz SWGSPVCXMLJPOW-CHWSQXEVSA-N 1 0 281.352 1.373 20 10 CDCDRO Cc1cccc(CN2CC[NH2+]C[C@@H]2c2nccn2C)c1O ZINC000843122426 787399308 /nfs/dbraw/zinc/39/93/08/787399308.db2.gz SHXWCNHGBIGDGD-CQSZACIVSA-N 1 0 286.379 1.581 20 10 CDCDRO O=C1CCCN1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922222055 787574431 /nfs/dbraw/zinc/57/44/31/787574431.db2.gz OBYPXCGBANGMET-UHFFFAOYSA-N 1 0 274.364 1.724 20 10 CDCDRO Nc1ccc(OCc2cn(CCCCC[NH3+])nn2)cc1 ZINC000864628092 787620829 /nfs/dbraw/zinc/62/08/29/787620829.db2.gz OKXLYZHYFZOUIK-UHFFFAOYSA-N 1 0 275.356 1.568 20 10 CDCDRO C[N@@H+]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1(C)C ZINC000848033998 787666439 /nfs/dbraw/zinc/66/64/39/787666439.db2.gz TZOQNAGZARNMBZ-ALCCZGGFSA-N 1 0 290.363 1.664 20 10 CDCDRO c1cc(C[NH2+][C@H]2CCc3nnnn3CC2)cc2c1OCC2 ZINC000817418927 787687218 /nfs/dbraw/zinc/68/72/18/787687218.db2.gz LFCPUGJARWJQEB-ZDUSSCGKSA-N 1 0 285.351 1.103 20 10 CDCDRO COc1ccc(O)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000111748495 787690963 /nfs/dbraw/zinc/69/09/63/787690963.db2.gz OAVWWPSRFIGOBL-PHIMTYICSA-N 1 0 250.342 1.583 20 10 CDCDRO COCC1(C)C[NH+](Cc2c(O)cccc2OC)C1 ZINC000839145008 787702317 /nfs/dbraw/zinc/70/23/17/787702317.db2.gz FQEMBXWPRSCUSE-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO CC(C)[C@H]([NH3+])CNCc1cc2c(cc1O)OCO2 ZINC000841028148 787735384 /nfs/dbraw/zinc/73/53/84/787735384.db2.gz BQYJRHTYKGVMMO-SNVBAGLBSA-N 1 0 252.314 1.194 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCc1nnc2ccccn21 ZINC000226582909 787834924 /nfs/dbraw/zinc/83/49/24/787834924.db2.gz MDKDOBHNGRBSJN-UHFFFAOYSA-N 1 0 286.310 1.906 20 10 CDCDRO CN(C)c1ccc(CN[C@H](CC[NH3+])C(F)F)cc1F ZINC000841074932 787835364 /nfs/dbraw/zinc/83/53/64/787835364.db2.gz SGYRADKAERDTPQ-LLVKDONJSA-N 1 0 275.318 1.964 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1O ZINC000136822928 787839218 /nfs/dbraw/zinc/83/92/18/787839218.db2.gz CLSYDXPEKMBVTP-VXGBXAGGSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1ccc(C[NH2+][C@@]2(CCO)CCOC2)c(O)c1 ZINC000877481940 787898457 /nfs/dbraw/zinc/89/84/57/787898457.db2.gz YBFCQAZYOVKLCE-AWEZNQCLSA-N 1 0 251.326 1.332 20 10 CDCDRO CC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846860666 788031015 /nfs/dbraw/zinc/03/10/15/788031015.db2.gz LMNVHKKTKHGDBT-XJKSGUPXSA-N 1 0 279.428 1.716 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882654 788083538 /nfs/dbraw/zinc/08/35/38/788083538.db2.gz MCTZQJQNFOBNHF-YPMHNXCESA-N 1 0 276.384 1.475 20 10 CDCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000825670112 788086177 /nfs/dbraw/zinc/08/61/77/788086177.db2.gz ICNGVDFYBUWOIR-SNVBAGLBSA-N 1 0 296.342 1.840 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCCC2=O)c1O ZINC000846204695 788130731 /nfs/dbraw/zinc/13/07/31/788130731.db2.gz ASTVQORKDPUDLY-LLVKDONJSA-N 1 0 278.352 1.674 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1OC ZINC000788268912 788174013 /nfs/dbraw/zinc/17/40/13/788174013.db2.gz INYVAHPWGJCSNW-GXSJLCMTSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C2(CO)CC2)c1 ZINC000710200023 788255604 /nfs/dbraw/zinc/25/56/04/788255604.db2.gz LDUKFYPHBBFFOA-JTQLQIEISA-N 1 0 251.326 1.651 20 10 CDCDRO Cc1ccc(C[N@H+](CC(N)=O)C2CCCC2)c(O)c1 ZINC000876570774 788300738 /nfs/dbraw/zinc/30/07/38/788300738.db2.gz NWKRCHZZEBOSHQ-UHFFFAOYSA-N 1 0 262.353 1.931 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000817983132 788373742 /nfs/dbraw/zinc/37/37/42/788373742.db2.gz YSUYMGJJQROBHO-DMDPSCGWSA-N 1 0 292.379 1.957 20 10 CDCDRO C[C@H](O)[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000929973202 788388095 /nfs/dbraw/zinc/38/80/95/788388095.db2.gz YBWUEGKAIHMRKU-BJJXKVORSA-N 1 0 295.379 1.115 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817413064 788401595 /nfs/dbraw/zinc/40/15/95/788401595.db2.gz SCYKXWQJOINULB-HAQNSBGRSA-N 1 0 292.379 1.782 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000877629563 788643755 /nfs/dbraw/zinc/64/37/55/788643755.db2.gz VRHYTCKAYJNADX-TZMCWYRMSA-N 1 0 274.364 1.801 20 10 CDCDRO C[C@@H]1CO[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000884011219 788789421 /nfs/dbraw/zinc/78/94/21/788789421.db2.gz XJWIDWLAPMKYCS-CQDKDKBSSA-N 1 0 291.395 1.294 20 10 CDCDRO OCCOCC[N@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000827204599 788811788 /nfs/dbraw/zinc/81/17/88/788811788.db2.gz ZDNZTKFHHPKXKC-UHFFFAOYSA-N 1 0 283.343 1.895 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1F ZINC000858175804 788863343 /nfs/dbraw/zinc/86/33/43/788863343.db2.gz WMXGTOKGLRSSOG-HNNXBMFYSA-N 1 0 297.349 1.789 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Cl)cc1O ZINC000841752585 788885720 /nfs/dbraw/zinc/88/57/20/788885720.db2.gz BPPIUAXASONCCS-MWLCHTKSSA-N 1 0 296.758 1.349 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000185180297 788890263 /nfs/dbraw/zinc/89/02/63/788890263.db2.gz PBSGTBXVTASHFF-UHFFFAOYSA-N 1 0 256.733 1.614 20 10 CDCDRO CCc1cccc(C[N@H+](C)C[C@H]2COCCO2)c1O ZINC000827139521 788899098 /nfs/dbraw/zinc/89/90/98/788899098.db2.gz BTNUHUCSTBKOEJ-AWEZNQCLSA-N 1 0 265.353 1.802 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000846666198 789009603 /nfs/dbraw/zinc/00/96/03/789009603.db2.gz SEHKXPNYWXKUCO-ZDUSSCGKSA-N 1 0 261.369 1.317 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000132621825 789011794 /nfs/dbraw/zinc/01/17/94/789011794.db2.gz SQSAXGSSPIDUBF-TVQRCGJNSA-N 1 0 270.760 1.594 20 10 CDCDRO Cc1nocc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507029 789019850 /nfs/dbraw/zinc/01/98/50/789019850.db2.gz UATODDYBDPHWNY-CQSZACIVSA-N 1 0 288.351 1.479 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)C[NH+]1CCCCC1 ZINC000186986309 789379105 /nfs/dbraw/zinc/37/91/05/789379105.db2.gz XXWWRACXLZVFHE-LBPRGKRZSA-N 1 0 292.379 1.950 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000846696300 789386554 /nfs/dbraw/zinc/38/65/54/789386554.db2.gz FDMMBDXTMQDMBA-OAHLLOKOSA-N 1 0 293.411 1.573 20 10 CDCDRO Cc1cccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1O ZINC000827120749 789414127 /nfs/dbraw/zinc/41/41/27/789414127.db2.gz VOZVVKLDWZTUKW-HNNXBMFYSA-N 1 0 276.380 1.607 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000819121641 789468429 /nfs/dbraw/zinc/46/84/29/789468429.db2.gz NFDWGZXYQSYMBB-LLVKDONJSA-N 1 0 282.359 1.257 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000846107493 789612598 /nfs/dbraw/zinc/61/25/98/789612598.db2.gz JHFDWFQTCZWYRV-WBMJQRKESA-N 1 0 295.379 1.983 20 10 CDCDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182527562 789645913 /nfs/dbraw/zinc/64/59/13/789645913.db2.gz MGDQXMDOYJOZQE-GFCCVEGCSA-N 1 0 292.379 1.963 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1Cl ZINC000825385214 789711867 /nfs/dbraw/zinc/71/18/67/789711867.db2.gz VPITVHRFDUKKPD-SECBINFHSA-N 1 0 291.800 1.877 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCC2)c1O ZINC000846157112 789753704 /nfs/dbraw/zinc/75/37/04/789753704.db2.gz JTFWFWLFMRRHPT-LLVKDONJSA-N 1 0 250.342 1.757 20 10 CDCDRO OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000162252619 789764331 /nfs/dbraw/zinc/76/43/31/789764331.db2.gz JRHZGTDIYAUNEY-UHFFFAOYSA-N 1 0 276.380 1.480 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000841968965 789766897 /nfs/dbraw/zinc/76/68/97/789766897.db2.gz GCTPWGWYLHOSHJ-UHFFFAOYSA-N 1 0 291.395 1.923 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC2(C[NH3+])CC2)c1 ZINC000817996341 789789465 /nfs/dbraw/zinc/78/94/65/789789465.db2.gz AZZOGFOBSHRNCI-SNVBAGLBSA-N 1 0 278.352 1.707 20 10 CDCDRO CC1([NH+]2CCC2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000882507572 789804653 /nfs/dbraw/zinc/80/46/53/789804653.db2.gz MKQVUKNHGAAQRX-UHFFFAOYSA-N 1 0 290.363 1.798 20 10 CDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000092953815 789809766 /nfs/dbraw/zinc/80/97/66/789809766.db2.gz BANZFHINKVVVQL-IUODEOHRSA-N 1 0 275.396 1.709 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(N(C)C)cc1 ZINC000305114715 789813994 /nfs/dbraw/zinc/81/39/94/789813994.db2.gz HLCZZOPJBYEDCK-JKSUJKDBSA-N 1 0 279.428 1.716 20 10 CDCDRO CCCN(C(=O)c1cccc(O)c1O)[C@H]1CC[N@H+](C)C1 ZINC000843990981 789836642 /nfs/dbraw/zinc/83/66/42/789836642.db2.gz ZTIGHPUIVUQESI-NSHDSACASA-N 1 0 278.352 1.654 20 10 CDCDRO CCOC(=O)CN(C)CCN(C)c1ccc(OC)cc1 ZINC000844400237 789838178 /nfs/dbraw/zinc/83/81/78/789838178.db2.gz XTAQNZDAWFMQST-UHFFFAOYSA-N 1 0 280.368 1.626 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001578231158 1167684322 /nfs/dbraw/zinc/68/43/22/1167684322.db2.gz HOJMJDJJRHEFBC-WFASDCNBSA-N 1 0 277.412 1.846 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c(OC)c1 ZINC001206201633 912555254 /nfs/dbraw/zinc/55/52/54/912555254.db2.gz YSDBMLQPDDIYJJ-STQMWFEESA-N 1 0 298.358 1.671 20 10 CDCDRO Oc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)cc(O)c1O ZINC001233011710 912674880 /nfs/dbraw/zinc/67/48/80/912674880.db2.gz FPXQFZZVYAXTRM-NSHDSACASA-N 1 0 264.325 1.083 20 10 CDCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173764623 912819511 /nfs/dbraw/zinc/81/95/11/912819511.db2.gz BHICFLCJIAJQNR-KGLIPLIRSA-N 1 0 299.378 1.921 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CCN(C3COC3)CC2)c1O ZINC001140178810 895200018 /nfs/dbraw/zinc/20/00/18/895200018.db2.gz YCXASGCQZNFNIW-UHFFFAOYSA-N 1 0 276.380 1.525 20 10 CDCDRO C[NH+]1CCN(C2CN(Cc3ccc(Cl)cc3O)C2)CC1 ZINC001140464596 896200000 /nfs/dbraw/zinc/20/00/00/896200000.db2.gz WOJDAZNFRHLZNU-UHFFFAOYSA-N 1 0 295.814 1.477 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000690729210 896514294 /nfs/dbraw/zinc/51/42/94/896514294.db2.gz HFAUUULZBNHJNQ-LLVKDONJSA-N 1 0 262.353 1.652 20 10 CDCDRO [NH3+]CCN(CC[NH3+])Cc1cc(Cl)cc(Cl)c1[O-] ZINC001235877672 914342096 /nfs/dbraw/zinc/34/20/96/914342096.db2.gz SDYHIUDEARVIHD-UHFFFAOYSA-N 1 0 278.183 1.418 20 10 CDCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141155921 899821743 /nfs/dbraw/zinc/82/17/43/899821743.db2.gz AUVNKNSPZKWZBP-MNOVXSKESA-N 1 0 251.326 1.691 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992050 914500439 /nfs/dbraw/zinc/50/04/39/914500439.db2.gz PZBUQJRBDMVYHO-WFASDCNBSA-N 1 0 261.369 1.381 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC001236284184 914852155 /nfs/dbraw/zinc/85/21/55/914852155.db2.gz BAUHWZQBTLGMNL-MWLCHTKSSA-N 1 0 268.744 1.458 20 10 CDCDRO Oc1cc(O)c(CCNc2[nH+]ccc3c2CCN3)cc1O ZINC001168006423 905360368 /nfs/dbraw/zinc/36/03/68/905360368.db2.gz OBJDUEUZDUCPDN-UHFFFAOYSA-N 1 0 287.319 1.821 20 10 CDCDRO CC(C)C[C@H](C[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000841953588 908831198 /nfs/dbraw/zinc/83/11/98/908831198.db2.gz JSHLPSMRBYQLTL-CYBMUJFWSA-N 1 0 279.384 1.907 20 10 CDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(F)cc1O ZINC001142525136 908859256 /nfs/dbraw/zinc/85/92/56/908859256.db2.gz YYONPTDGRMXTSZ-PHIMTYICSA-N 1 0 268.307 1.949 20 10 CDCDRO CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1ccccc1O ZINC000323032894 909042272 /nfs/dbraw/zinc/04/22/72/909042272.db2.gz MSXRYVBJQAFVHM-PWSUYJOCSA-N 1 0 250.342 1.958 20 10 CDCDRO O=C1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CCN1C1CC1 ZINC001172007774 911085043 /nfs/dbraw/zinc/08/50/43/911085043.db2.gz WMUDDDXNQSADCB-GFCCVEGCSA-N 1 0 290.363 1.383 20 10 CDCDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(O)cc2O)CCO1 ZINC001204281829 916637126 /nfs/dbraw/zinc/63/71/26/916637126.db2.gz LIJULFJQSARHPT-OAHLLOKOSA-N 1 0 294.395 1.640 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000182447085 917315749 /nfs/dbraw/zinc/31/57/49/917315749.db2.gz LAZHNNWFVCVNIV-RYUDHWBXSA-N 1 0 291.351 1.309 20 10 CDCDRO C[N@@H+]1CCC[C@](C)(NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182157502 917694968 /nfs/dbraw/zinc/69/49/68/917694968.db2.gz SDCWYNMWDFJCHS-INIZCTEOSA-N 1 0 292.379 1.631 20 10 CDCDRO CO[C@@H](C[NH3+])CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597492 936464626 /nfs/dbraw/zinc/46/46/26/936464626.db2.gz LEJLQPIEXFNXHR-GFCCVEGCSA-N 1 0 292.379 1.251 20 10 CDCDRO C[C@@]1([NH3+])CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205287971 918830297 /nfs/dbraw/zinc/83/02/97/918830297.db2.gz FHXSOJMWFVXYPT-CQSZACIVSA-N 1 0 266.341 1.507 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CCCC[NH3+])cc1F ZINC000827906111 936613637 /nfs/dbraw/zinc/61/36/37/936613637.db2.gz GTDMNRUSURTYFV-UHFFFAOYSA-N 1 0 267.348 1.637 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCO[C@@H]4C[C@@H]43)cc2)CC1 ZINC001139410945 936617985 /nfs/dbraw/zinc/61/79/85/936617985.db2.gz NBWRITQKURFQRG-DLBZAZTESA-N 1 0 287.407 1.412 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3=O)C2)cc1 ZINC001272917661 920033955 /nfs/dbraw/zinc/03/39/55/920033955.db2.gz ZLKHRUYOLLCFEP-QGZVFWFLSA-N 1 0 287.407 1.807 20 10 CDCDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001140054227 936674469 /nfs/dbraw/zinc/67/44/69/936674469.db2.gz MOMNTMOJKVEAGT-CHWSQXEVSA-N 1 0 278.327 1.726 20 10 CDCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]12 ZINC001140464710 936712405 /nfs/dbraw/zinc/71/24/05/936712405.db2.gz AJOKUTVRVFEXIC-CABZTGNLSA-N 1 0 280.755 1.614 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1 ZINC001140621833 936732132 /nfs/dbraw/zinc/73/21/32/936732132.db2.gz QYEJQIGGNDZPPP-INIZCTEOSA-N 1 0 274.364 1.803 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074361 936808961 /nfs/dbraw/zinc/80/89/61/936808961.db2.gz GGFRKSYGCLRFQL-INIZCTEOSA-N 1 0 299.418 1.835 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)[C@@H]1C ZINC001141159963 936822229 /nfs/dbraw/zinc/82/22/29/936822229.db2.gz NJMVRRNJXVBLDT-MFKMUULPSA-N 1 0 279.336 1.871 20 10 CDCDRO Cc1noc([C@H]2CC[N@H+](Cc3cc(O)ccc3O)C2)n1 ZINC001141160483 936822964 /nfs/dbraw/zinc/82/29/64/936822964.db2.gz DFMZVMKSSRTORC-JTQLQIEISA-N 1 0 275.308 1.779 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c(O)c1 ZINC000840804107 936961744 /nfs/dbraw/zinc/96/17/44/936961744.db2.gz ZXYUQIVVPWBHJC-OLZOCXBDSA-N 1 0 290.367 1.312 20 10 CDCDRO Oc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1O ZINC001203878563 925151836 /nfs/dbraw/zinc/15/18/36/925151836.db2.gz CMPVZDTWWLEVDO-ZDUSSCGKSA-N 1 0 262.353 1.768 20 10 CDCDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001169443469 928035657 /nfs/dbraw/zinc/03/56/57/928035657.db2.gz HAVZYDXBYZBTTP-NSHDSACASA-N 1 0 280.368 1.834 20 10 CDCDRO C[NH2+]Cc1cc(NCc2ccc(O)c(O)c2)ncn1 ZINC001169990701 928859718 /nfs/dbraw/zinc/85/97/18/928859718.db2.gz LXQNHXFNWMZRNV-UHFFFAOYSA-N 1 0 260.297 1.219 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CNCc1ccc(OC)c(C)c1 ZINC001253213709 930150020 /nfs/dbraw/zinc/15/00/20/930150020.db2.gz NRRPHNVKWSFEFU-HNNXBMFYSA-N 1 0 280.412 1.796 20 10 CDCDRO CC(C)C[N@H+](CC(N)=O)Cc1cc(Cl)ccc1O ZINC000132893635 930278035 /nfs/dbraw/zinc/27/80/35/930278035.db2.gz BPXQEIRGGBQAKM-UHFFFAOYSA-N 1 0 270.760 1.989 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884223238 930488457 /nfs/dbraw/zinc/48/84/57/930488457.db2.gz LKYPFXXEFDKRKI-HNNXBMFYSA-N 1 0 275.396 1.805 20 10 CDCDRO Cc1cc(Br)cc(C[NH2+][C@H](C)C(N)=O)c1O ZINC000134416076 930557242 /nfs/dbraw/zinc/55/72/42/930557242.db2.gz BSETUDMGRJBJPT-SSDOTTSWSA-N 1 0 287.157 1.427 20 10 CDCDRO COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000817949686 930644507 /nfs/dbraw/zinc/64/45/07/930644507.db2.gz MIWYUKGWTWESNZ-AAEUAGOBSA-N 1 0 292.379 1.972 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144499419 931857963 /nfs/dbraw/zinc/85/79/63/931857963.db2.gz GGXJQNORFZEDTL-JOYOIKCWSA-N 1 0 267.325 1.396 20 10 CDCDRO O=C1COC2(C1)CC[NH+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144504040 931864802 /nfs/dbraw/zinc/86/48/02/931864802.db2.gz JLOUQBUGDQKQDB-UHFFFAOYSA-N 1 0 293.319 1.127 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@]1(C)O ZINC001144504644 931865234 /nfs/dbraw/zinc/86/52/34/931865234.db2.gz YMHXURACFWINBQ-YMTOWFKASA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC(c3cccnc3)C2)c(O)c1 ZINC001144514806 931877379 /nfs/dbraw/zinc/87/73/79/931877379.db2.gz SOTBITUAWXMMCH-UHFFFAOYSA-N 1 0 272.304 1.798 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001144516465 931880551 /nfs/dbraw/zinc/88/05/51/931880551.db2.gz ZAKZLZICONSTFL-ZDUSSCGKSA-N 1 0 251.282 1.168 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1=O ZINC000846092343 931970523 /nfs/dbraw/zinc/97/05/23/931970523.db2.gz CRTBDDJUTCJDNE-CYBMUJFWSA-N 1 0 293.386 1.850 20 10 CDCDRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC001148219374 932670528 /nfs/dbraw/zinc/67/05/28/932670528.db2.gz ZRTFUEOVFKZLPB-LLVKDONJSA-N 1 0 278.352 1.653 20 10 CDCDRO CCc1cccc(CN2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000692091633 934382037 /nfs/dbraw/zinc/38/20/37/934382037.db2.gz FUHDLCXSVMOSDZ-AWEZNQCLSA-N 1 0 297.420 1.964 20 10 CDCDRO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000802660920 936056473 /nfs/dbraw/zinc/05/64/73/936056473.db2.gz ZKBSNDJOSBDUJE-GFCCVEGCSA-N 1 0 259.708 1.952 20 10 CDCDRO NC(=O)[C@H]1CCSC12C[NH+](Cc1cc(F)ccc1O)C2 ZINC001278255716 945217361 /nfs/dbraw/zinc/21/73/61/945217361.db2.gz WYHFARKWGWDQCN-LLVKDONJSA-N 1 0 296.367 1.324 20 10 CDCDRO Nc1ccc(CNc2nc(Cl)nc3c2CC[NH2+]C3)cc1 ZINC001162784922 939138645 /nfs/dbraw/zinc/13/86/45/939138645.db2.gz ZRLKGVAYSFJKAC-UHFFFAOYSA-N 1 0 289.770 1.970 20 10 CDCDRO CN1CCc2c(c([N+](=O)[O-])ccc2N2CC[C@H]([NH3+])C2)C1 ZINC001164286084 939446695 /nfs/dbraw/zinc/44/66/95/939446695.db2.gz FCFRAKRTAZAKDA-JTQLQIEISA-N 1 0 276.340 1.120 20 10 CDCDRO COC(=O)[C@H]1COCCC12C[NH+](Cc1ccccc1O)C2 ZINC001203558631 939693095 /nfs/dbraw/zinc/69/30/95/939693095.db2.gz RCMUYWTUVNWFLM-CYBMUJFWSA-N 1 0 291.347 1.404 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCC[C@@H](O)C2)c1O ZINC001203585729 939694854 /nfs/dbraw/zinc/69/48/54/939694854.db2.gz SVQIDRAZAKHGEO-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1cccc(CN2CC([NH+]3CCCC3)C2)c1O ZINC001203595498 939694946 /nfs/dbraw/zinc/69/49/46/939694946.db2.gz FFCDCRHHFZNHAJ-UHFFFAOYSA-N 1 0 262.353 1.681 20 10 CDCDRO COc1cccc(C[N@@H+](C)CC(OC)OC)c1O ZINC001203596838 939695265 /nfs/dbraw/zinc/69/52/65/939695265.db2.gz OGOQTJBLIZMVCS-UHFFFAOYSA-N 1 0 255.314 1.452 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001203622057 939697012 /nfs/dbraw/zinc/69/70/12/939697012.db2.gz MXCDSGPODPHJOQ-MRXNPFEDSA-N 1 0 290.363 1.503 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1 ZINC001203621000 939697326 /nfs/dbraw/zinc/69/73/26/939697326.db2.gz MYPAGMQTSLQAHH-CHWSQXEVSA-N 1 0 269.316 1.696 20 10 CDCDRO COc1ccc(O)c(CN2CCC(=O)[C@H](F)CC2)c1 ZINC001203670320 939700488 /nfs/dbraw/zinc/70/04/88/939700488.db2.gz NVVLZVLJRQLVBM-GFCCVEGCSA-N 1 0 267.300 1.904 20 10 CDCDRO Oc1ccc(Cl)cc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001203665468 939700511 /nfs/dbraw/zinc/70/05/11/939700511.db2.gz LIYSKRMMHODBMV-LBPRGKRZSA-N 1 0 252.745 1.936 20 10 CDCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(O)c(O)c2)C1 ZINC001203881718 939711365 /nfs/dbraw/zinc/71/13/65/939711365.db2.gz UFBMABKBWQKWKT-ZDUSSCGKSA-N 1 0 278.352 1.541 20 10 CDCDRO CN1C(=O)CCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204277236 939751290 /nfs/dbraw/zinc/75/12/90/939751290.db2.gz AAPBEEUDGOZIEN-UHFFFAOYSA-N 1 0 290.363 1.685 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1O ZINC001204325022 939755411 /nfs/dbraw/zinc/75/54/11/939755411.db2.gz QFSLBFAQTXWMNC-NVXWUHKLSA-N 1 0 290.407 1.462 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc(O)c1O ZINC001204346304 939759662 /nfs/dbraw/zinc/75/96/62/939759662.db2.gz MRVFQASAVRNISK-WCQYABFASA-N 1 0 279.336 1.717 20 10 CDCDRO [NH3+][C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001205110515 939824097 /nfs/dbraw/zinc/82/40/97/939824097.db2.gz UQNHELRQLYZKAM-LBPRGKRZSA-N 1 0 264.325 1.404 20 10 CDCDRO CC1(C)C=Cc2c(O)c(CN3C[C@@H]([NH3+])[C@H](O)C3)ccc2O1 ZINC001205370590 939886474 /nfs/dbraw/zinc/88/64/74/939886474.db2.gz XOFGZUAIWHHXPX-CHWSQXEVSA-N 1 0 290.363 1.080 20 10 CDCDRO CC(C)(C)c1cccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c1O ZINC001206097403 939980176 /nfs/dbraw/zinc/98/01/76/939980176.db2.gz QDPONPSDDDLTAQ-ZIAGYGMSSA-N 1 0 278.396 1.584 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c1O ZINC001206674574 940076828 /nfs/dbraw/zinc/07/68/28/940076828.db2.gz DTIRZMANEIQVSR-LLVKDONJSA-N 1 0 256.296 1.869 20 10 CDCDRO O=C(N1CC=CC1)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001277446042 942585904 /nfs/dbraw/zinc/58/59/04/942585904.db2.gz LIBHDTAMGVHQMV-RHSMWYFYSA-N 1 0 284.359 1.613 20 10 CDCDRO CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]2C1 ZINC001231454281 942898299 /nfs/dbraw/zinc/89/82/99/942898299.db2.gz UFAUTECLUKEOAP-KBPBESRZSA-N 1 0 290.363 1.474 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@]23CCOC3)c(O)cc1O ZINC001231637632 942953280 /nfs/dbraw/zinc/95/32/80/942953280.db2.gz OVXOGDFWJDNINP-HNNXBMFYSA-N 1 0 279.336 1.861 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c(O)cc1O ZINC001231638869 942954265 /nfs/dbraw/zinc/95/42/65/942954265.db2.gz HOJXIMKXZKBDOG-SNVBAGLBSA-N 1 0 265.309 1.517 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC001231854147 943030781 /nfs/dbraw/zinc/03/07/81/943030781.db2.gz ACMPSCKZJBEXEP-CQSZACIVSA-N 1 0 291.395 1.472 20 10 CDCDRO O=c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)n[nH]1 ZINC001232026195 943105202 /nfs/dbraw/zinc/10/52/02/943105202.db2.gz IUMIUBJGZGXEAZ-UHFFFAOYSA-N 1 0 257.293 1.446 20 10 CDCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232257703 943190461 /nfs/dbraw/zinc/19/04/61/943190461.db2.gz IFLYIGBBIDMZTK-AWEZNQCLSA-N 1 0 296.754 1.463 20 10 CDCDRO C[N@H+](Cc1cc(Cl)c(O)cc1O)[C@@H]1CCOC1 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O=C1OCCC12CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233487076 943595950 /nfs/dbraw/zinc/59/59/50/943595950.db2.gz OFPVXLBMJOBATJ-UHFFFAOYSA-N 1 0 293.319 1.333 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC(C)(C)C[NH3+])c1 ZINC001263113005 943752613 /nfs/dbraw/zinc/75/26/13/943752613.db2.gz WTPVBDWWJYXWJN-JTQLQIEISA-N 1 0 280.368 1.953 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]32)c(OC)c1 ZINC001235076301 944045603 /nfs/dbraw/zinc/04/56/03/944045603.db2.gz VZGMUDYNYFBZPG-CHWSQXEVSA-N 1 0 278.352 1.346 20 10 CDCDRO CC1(C)C=Cc2c(O)c(CN3C[C@@H]4C[NH2+]C[C@@H]43)ccc2O1 ZINC001236298558 944456599 /nfs/dbraw/zinc/45/65/99/944456599.db2.gz TWALSSCDXHJQKD-JSGCOSHPSA-N 1 0 286.375 1.980 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H]3C[NH2+]C[C@@H]32)c1O ZINC001236298461 944457557 /nfs/dbraw/zinc/45/75/57/944457557.db2.gz USDRKAOTAZYJOV-KOLCDFICSA-N 1 0 268.744 1.458 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC001236783681 944566985 /nfs/dbraw/zinc/56/69/85/944566985.db2.gz 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COC(=O)Cc1ccc(CN(C)CCC[NH+](C)C)c(O)c1 ZINC001249173776 949443099 /nfs/dbraw/zinc/44/30/99/949443099.db2.gz VWXBOSRBYDVXLP-UHFFFAOYSA-N 1 0 294.395 1.491 20 10 CDCDRO C[NH+](C)CCNC(=S)N1CCc2cccc(O)c2C1 ZINC001249836445 949824907 /nfs/dbraw/zinc/82/49/07/949824907.db2.gz PQNHNNGUABFEGU-UHFFFAOYSA-N 1 0 279.409 1.186 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@@H](C)C(=O)NCCF)c(O)c1 ZINC001308715034 956569505 /nfs/dbraw/zinc/56/95/05/956569505.db2.gz DQAUNHNAOXMYKA-JTQLQIEISA-N 1 0 284.331 1.273 20 10 CDCDRO CN(C(=O)C12CCC[NH+]1CCC2)c1ccc(N)cc1 ZINC001331060190 956794193 /nfs/dbraw/zinc/79/41/93/956794193.db2.gz YCSJVZCWMCEJFJ-UHFFFAOYSA-N 1 0 259.353 1.860 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)C[C@H](C)[N@H+]1C ZINC001335737184 959999047 /nfs/dbraw/zinc/99/90/47/959999047.db2.gz LRKRWSQPKRQZRS-TXEJJXNPSA-N 1 0 276.384 1.503 20 10 CDCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@H]1CC[NH3+] ZINC001337019793 960859894 /nfs/dbraw/zinc/85/98/94/960859894.db2.gz VLLWGNHPZNVLRM-DOMZBBRYSA-N 1 0 290.411 1.928 20 10 CDCDRO C[NH+](C)CC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001338800389 962002231 /nfs/dbraw/zinc/00/22/31/962002231.db2.gz ZXHWZEDNUFZYKP-UHFFFAOYSA-N 1 0 290.411 1.752 20 10 CDCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001341124393 963284110 /nfs/dbraw/zinc/28/41/10/963284110.db2.gz PIAJREWCUVQPSS-SNVBAGLBSA-N 1 0 266.316 1.393 20 10 CDCDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(C(=O)[O-])ccc1O ZINC001593257567 994531924 /nfs/dbraw/zinc/53/19/24/994531924.db2.gz QCQCPYXGAYKMRA-JTQLQIEISA-N 1 0 278.352 1.741 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594261378 999009910 /nfs/dbraw/zinc/00/99/10/999009910.db2.gz NOWANORHBINAQP-JFGNBEQYSA-N 1 0 278.352 1.882 20 10 CDCDRO CC(C)(CO)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000294666764 363087069 /nfs/dbraw/zinc/08/70/69/363087069.db2.gz AOOJBNGAEOFNPJ-UHFFFAOYSA-N 1 0 267.325 1.619 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(O)CCOCC2)c1O ZINC000112717348 366125837 /nfs/dbraw/zinc/12/58/37/366125837.db2.gz GGNHAHLIWJWJLM-UHFFFAOYSA-N 1 0 281.352 1.422 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179896644 357229143 /nfs/dbraw/zinc/22/91/43/357229143.db2.gz DLPAVMDOTKBKPB-JTQLQIEISA-N 1 0 267.300 1.916 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000180327055 357262652 /nfs/dbraw/zinc/26/26/52/357262652.db2.gz LCPOHRTUOSQOPM-CYBMUJFWSA-N 1 0 251.326 1.548 20 10 CDCDRO CCOCc1cc(C[NH2+]CC(=O)N(C)CC)ccc1OC ZINC000185174338 357517183 /nfs/dbraw/zinc/51/71/83/357517183.db2.gz IGJUWVJKCUTLFI-UHFFFAOYSA-N 1 0 294.395 1.800 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H](C)O1 ZINC000188368082 357886607 /nfs/dbraw/zinc/88/66/07/357886607.db2.gz BNYHKNSPFAAVGT-JSGCOSHPSA-N 1 0 265.353 1.936 20 10 CDCDRO C[C@@H](c1nnnn1C1CC1)N(C)Cc1ccccc1O ZINC000192102800 358175856 /nfs/dbraw/zinc/17/58/56/358175856.db2.gz JPMQCZQBKQCNEI-JTQLQIEISA-N 1 0 273.340 1.907 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCC(O)CC2)c1 ZINC000294775166 199176924 /nfs/dbraw/zinc/17/69/24/199176924.db2.gz GHTSTOSKCVPJOS-GFCCVEGCSA-N 1 0 294.395 1.508 20 10 CDCDRO CCOc1cccc(CN2CCNC(=O)[C@H]2C)c1O ZINC000123447177 360287583 /nfs/dbraw/zinc/28/75/83/360287583.db2.gz GUPLHTZOLDBIDM-SNVBAGLBSA-N 1 0 264.325 1.111 20 10 CDCDRO CC[N@H+](CCCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000270689162 364708362 /nfs/dbraw/zinc/70/83/62/364708362.db2.gz BNHAXDPIULMRFF-UHFFFAOYSA-N 1 0 293.411 1.073 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(CO)CC2)c1 ZINC000271040893 364886857 /nfs/dbraw/zinc/88/68/57/364886857.db2.gz MNSNOCDGTSCZFG-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2cccc(C)c2O)CCOCC1 ZINC000271993094 365037558 /nfs/dbraw/zinc/03/75/58/365037558.db2.gz RNPIGIYMFILVIH-UHFFFAOYSA-N 1 0 293.363 1.903 20 10 CDCDRO Oc1ccc(Cl)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000375236451 370798045 /nfs/dbraw/zinc/79/80/45/370798045.db2.gz GFKIJIUGPCTSCW-ZDUSSCGKSA-N 1 0 282.771 1.562 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000375240382 370799941 /nfs/dbraw/zinc/79/99/41/370799941.db2.gz XCHXAWDQZUCCLD-AWEZNQCLSA-N 1 0 296.798 1.870 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273619341 365514126 /nfs/dbraw/zinc/51/41/26/365514126.db2.gz YOENXKOAIKXVNM-MWLCHTKSSA-N 1 0 292.335 1.060 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC23CC(C2)CO3)cc1OC ZINC000529664625 368087009 /nfs/dbraw/zinc/08/70/09/368087009.db2.gz WFFHDGQJBPONES-UHFFFAOYSA-N 1 0 279.336 1.678 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000227216194 260006822 /nfs/dbraw/zinc/00/68/22/260006822.db2.gz OWXZOVQQKPCQJH-OAHLLOKOSA-N 1 0 267.369 1.881 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NC)C2)c1O ZINC000093360785 390901859 /nfs/dbraw/zinc/90/18/59/390901859.db2.gz NLBNIVUYRJPOPM-CYBMUJFWSA-N 1 0 292.379 1.749 20 10 CDCDRO CNC(=O)CC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000093588343 390903495 /nfs/dbraw/zinc/90/34/95/390903495.db2.gz GCNRYGPUYJUKNH-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO CC[C@H](C)N(C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000217387509 390908503 /nfs/dbraw/zinc/90/85/03/390908503.db2.gz VWUNMWVYNBHFCP-NSHDSACASA-N 1 0 280.368 1.941 20 10 CDCDRO Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)c(O)c1O ZINC000177672168 391174063 /nfs/dbraw/zinc/17/40/63/391174063.db2.gz BDUYOPRUNYMMNL-UHFFFAOYSA-N 1 0 292.379 1.868 20 10 CDCDRO CC(C)NC(=O)CN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179553764 391210130 /nfs/dbraw/zinc/21/01/30/391210130.db2.gz FPPGUFMKOFRHNP-UHFFFAOYSA-N 1 0 291.395 1.034 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000179578974 391212826 /nfs/dbraw/zinc/21/28/26/391212826.db2.gz GPKXGPUBMPYYPW-NSHDSACASA-N 1 0 261.243 1.891 20 10 CDCDRO C[C@H]([NH3+])CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000193306264 391336045 /nfs/dbraw/zinc/33/60/45/391336045.db2.gz FARHOVIUAXMKJO-JTQLQIEISA-N 1 0 267.348 1.635 20 10 CDCDRO CS(=O)(=O)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000038047787 174058084 /nfs/dbraw/zinc/05/80/84/174058084.db2.gz XAIZWTMUWGDGAT-UHFFFAOYSA-N 1 0 269.366 1.146 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1COCCO1 ZINC000038060473 174071029 /nfs/dbraw/zinc/07/10/29/174071029.db2.gz IGUNAPOZYOSJEA-NSHDSACASA-N 1 0 257.717 1.551 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(O)c1O ZINC000126499389 260352542 /nfs/dbraw/zinc/35/25/42/260352542.db2.gz DLSIPVMDNBRKSP-WDEREUQCSA-N 1 0 276.336 1.454 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000300416290 261199472 /nfs/dbraw/zinc/19/94/72/261199472.db2.gz OOWAKBVNYSEMQF-KBPBESRZSA-N 1 0 280.343 1.484 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183603805 261981753 /nfs/dbraw/zinc/98/17/53/261981753.db2.gz KDDVITJQDGTOOH-WDEREUQCSA-N 1 0 271.382 1.866 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@]2(CO)CCOC2)c(O)c1 ZINC000184197376 262011982 /nfs/dbraw/zinc/01/19/82/262011982.db2.gz UWTNYOQJXHZBMB-OAHLLOKOSA-N 1 0 281.352 1.422 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC000184677616 262025750 /nfs/dbraw/zinc/02/57/50/262025750.db2.gz WDKUEDHGCXXDNK-SNVBAGLBSA-N 1 0 257.717 1.621 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCC3(CCO3)CC1)OCO2 ZINC000367253545 266255838 /nfs/dbraw/zinc/25/58/38/266255838.db2.gz ULQULKXKLAKOMY-UHFFFAOYSA-N 1 0 277.320 1.876 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000054344772 278243015 /nfs/dbraw/zinc/24/30/15/278243015.db2.gz MBEWHEYPWFNRBK-ZDUSSCGKSA-N 1 0 291.395 1.076 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1O ZINC000291682858 328265629 /nfs/dbraw/zinc/26/56/29/328265629.db2.gz XLBAUNLYTAJSBD-GDBMZVCRSA-N 1 0 290.407 1.996 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1O ZINC000378555493 329054649 /nfs/dbraw/zinc/05/46/49/329054649.db2.gz DFKXDSCPCCZQRU-RYUDHWBXSA-N 1 0 290.363 1.763 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188390241 329366482 /nfs/dbraw/zinc/36/64/82/329366482.db2.gz QZCJGNSDCOCEFD-UHFFFAOYSA-N 1 0 286.335 1.033 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000693651588 1159168685 /nfs/dbraw/zinc/16/86/85/1159168685.db2.gz XBBJKYBIHAPMKO-HDJSIYSDSA-N 1 0 275.396 1.838 20 10 CDCDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000299507712 519863299 /nfs/dbraw/zinc/86/32/99/519863299.db2.gz NESCWCUJNUAFNK-CYBMUJFWSA-N 1 0 291.395 1.923 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000278261261 521871005 /nfs/dbraw/zinc/87/10/05/521871005.db2.gz QMIBBYPFLSFQBA-AWEZNQCLSA-N 1 0 296.323 1.656 20 10 CDCDRO C[NH+](C)C[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000128196231 521882519 /nfs/dbraw/zinc/88/25/19/521882519.db2.gz IMMYMMRSAADEQU-ZDUSSCGKSA-N 1 0 250.342 1.155 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289463690 523592090 /nfs/dbraw/zinc/59/20/90/523592090.db2.gz ACNSJPLNGSBQGT-GJZGRUSLSA-N 1 0 275.396 1.757 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000274915922 524700256 /nfs/dbraw/zinc/70/02/56/524700256.db2.gz JZSNTHGDRKXIFY-PWSUYJOCSA-N 1 0 278.352 1.239 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000279707344 524740634 /nfs/dbraw/zinc/74/06/34/524740634.db2.gz SAORYAXVCDDRJQ-WBMJQRKESA-N 1 0 293.363 1.781 20 10 CDCDRO COc1ncccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880156 525059174 /nfs/dbraw/zinc/05/91/74/525059174.db2.gz FKCUSKTVDWGIJJ-UHFFFAOYSA-N 1 0 288.303 1.814 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cc(F)ccc1O ZINC000094618239 525421985 /nfs/dbraw/zinc/42/19/85/525421985.db2.gz DDGDQEYVHYGYTN-AAEUAGOBSA-N 1 0 281.375 1.428 20 10 CDCDRO C[C@H]([NH2+]Cc1ccccc1O)C(=O)NCc1ccco1 ZINC000111399118 525461352 /nfs/dbraw/zinc/46/13/52/525461352.db2.gz LAPXBNHPZAKGDB-NSHDSACASA-N 1 0 274.320 1.780 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291277230 525932881 /nfs/dbraw/zinc/93/28/81/525932881.db2.gz OHDVDQDUEVGVRJ-LLVKDONJSA-N 1 0 287.306 1.850 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280310946 525955712 /nfs/dbraw/zinc/95/57/12/525955712.db2.gz PRHCBDQMZGVPFE-WBMJQRKESA-N 1 0 293.363 1.781 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCc1ccccn1)OCO2 ZINC000042879203 526336855 /nfs/dbraw/zinc/33/68/55/526336855.db2.gz YVMNWBJNZAAPIB-UHFFFAOYSA-N 1 0 272.304 1.848 20 10 CDCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Cl)[C@@H]1CCOC1 ZINC000280243370 527606495 /nfs/dbraw/zinc/60/64/95/527606495.db2.gz IKSOVFFLKVFQAG-MNOVXSKESA-N 1 0 285.771 1.780 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1F ZINC000732279195 575086193 /nfs/dbraw/zinc/08/61/93/575086193.db2.gz KCAOARBLUOGMGR-OAHLLOKOSA-N 1 0 293.386 1.992 20 10 CDCDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000733329183 575114738 /nfs/dbraw/zinc/11/47/38/575114738.db2.gz OVKJNMZHDPBSHA-NSHDSACASA-N 1 0 293.241 1.788 20 10 CDCDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1ccco1 ZINC000768840501 575138614 /nfs/dbraw/zinc/13/86/14/575138614.db2.gz DNAVKDZYPGVMLT-LBPRGKRZSA-N 1 0 261.321 1.926 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000770292669 575437151 /nfs/dbraw/zinc/43/71/51/575437151.db2.gz OCYZPBLEMVEMQO-UHFFFAOYSA-N 1 0 293.363 1.782 20 10 CDCDRO CC[NH+](CC)CCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000772207521 575671433 /nfs/dbraw/zinc/67/14/33/575671433.db2.gz OQFVKMJNLDLSOH-SOFGYWHQSA-N 1 0 279.336 1.996 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)cc1 ZINC000773887991 575817621 /nfs/dbraw/zinc/81/76/21/575817621.db2.gz KLFZFXBEWTVIRM-ZIAGYGMSSA-N 1 0 280.412 1.706 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H]3CCN(C)C3)CC2)cc1 ZINC000765637369 576046936 /nfs/dbraw/zinc/04/69/36/576046936.db2.gz CNIYWWLZGTZXJW-OAHLLOKOSA-N 1 0 289.423 1.958 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)CSC ZINC000738440032 576074875 /nfs/dbraw/zinc/07/48/75/576074875.db2.gz KVCJUFIZDUFKJS-CYBMUJFWSA-N 1 0 271.382 1.604 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCOC1 ZINC000768462699 576287244 /nfs/dbraw/zinc/28/72/44/576287244.db2.gz BXVMTAOLFMAOIP-IINYFYTJSA-N 1 0 279.336 1.286 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000769206500 576337486 /nfs/dbraw/zinc/33/74/86/576337486.db2.gz NMYHTLVKGKCHIC-OAHLLOKOSA-N 1 0 273.380 1.559 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC(C)(CO)CO)c(O)c1 ZINC000769447665 576354868 /nfs/dbraw/zinc/35/48/68/576354868.db2.gz IYVDSIVGONCFQA-UHFFFAOYSA-N 1 0 283.368 1.214 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CC1(O)CCC1 ZINC000761220214 576560756 /nfs/dbraw/zinc/56/07/56/576560756.db2.gz WPLYZVCAMISDOU-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1(C)COC1 ZINC000743839181 576656838 /nfs/dbraw/zinc/65/68/38/576656838.db2.gz KFWQMCBVVYWAHS-UHFFFAOYSA-N 1 0 290.407 1.992 20 10 CDCDRO CNC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000893189932 617453083 /nfs/dbraw/zinc/45/30/83/617453083.db2.gz GPPODLIIBSZUNG-LBPRGKRZSA-N 1 0 296.367 1.270 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000892578089 617516376 /nfs/dbraw/zinc/51/63/76/617516376.db2.gz PDICFLMXYXOMOY-GMTAPVOTSA-N 1 0 293.367 1.498 20 10 CDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCOC1 ZINC000840964289 617851002 /nfs/dbraw/zinc/85/10/02/617851002.db2.gz YXGHSNGCLIWNBP-CABCVRRESA-N 1 0 277.364 1.499 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CCO)C2CC2)c(O)c1OC ZINC000893038035 618082229 /nfs/dbraw/zinc/08/22/29/618082229.db2.gz VEUQKNXMDKSLTJ-GFCCVEGCSA-N 1 0 281.352 1.660 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000841654871 617622028 /nfs/dbraw/zinc/62/20/28/617622028.db2.gz QFVPOPWUYQEHKW-UHFFFAOYSA-N 1 0 290.411 1.633 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(OC)ccc1O ZINC000840973563 617920449 /nfs/dbraw/zinc/92/04/49/617920449.db2.gz QBGHIFBMKRXDDD-UHFFFAOYSA-N 1 0 287.381 1.315 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCN(C(C)=O)CC2)c1O ZINC000893914713 618172791 /nfs/dbraw/zinc/17/27/91/618172791.db2.gz MAEXPEPCAWMBFD-UHFFFAOYSA-N 1 0 292.379 1.763 20 10 CDCDRO COc1cc(C)cc(C[N@H+](CCO)CC2CC2)c1O ZINC000893976264 618232571 /nfs/dbraw/zinc/23/25/71/618232571.db2.gz PWJAYDRVSPIOCZ-UHFFFAOYSA-N 1 0 265.353 1.914 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H]1O ZINC000894094706 618383101 /nfs/dbraw/zinc/38/31/01/618383101.db2.gz LTXMJYVAZAOOJZ-WCQYABFASA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](CO)SC)c1O ZINC000894281347 618450290 /nfs/dbraw/zinc/45/02/90/618450290.db2.gz OPNNZPDZCDSXCI-GWCFXTLKSA-N 1 0 285.409 1.911 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000894184545 618671410 /nfs/dbraw/zinc/67/14/10/618671410.db2.gz BBPBOWNJYKVZTP-ZYHUDNBSSA-N 1 0 299.392 1.314 20 10 CDCDRO COc1cc(Cl)cc(CN[C@@H]2CCC[NH2+]C2)c1O ZINC000841043529 618678135 /nfs/dbraw/zinc/67/81/35/618678135.db2.gz SIRQIIBWOIOFBT-LLVKDONJSA-N 1 0 270.760 1.896 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C(C)(C)[C@@H](C)O)c1O ZINC000894366855 618824351 /nfs/dbraw/zinc/82/43/51/618824351.db2.gz HRLOXIULLDXYSZ-SNVBAGLBSA-N 1 0 253.342 1.958 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@@H](C)CCO)c(O)c1OC ZINC000894667544 619009126 /nfs/dbraw/zinc/00/91/26/619009126.db2.gz HAFUUDUVXDVNLN-LLVKDONJSA-N 1 0 283.368 1.908 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C2([NH3+])CCC2)cc1 ZINC000147849328 620003486 /nfs/dbraw/zinc/00/34/86/620003486.db2.gz KWSQFDJCKCRQJJ-UHFFFAOYSA-N 1 0 261.369 1.592 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000841941146 620635381 /nfs/dbraw/zinc/63/53/81/620635381.db2.gz KWMUPRZQLUXAGL-UWVGGRQHSA-N 1 0 279.340 1.123 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411937 623891991 /nfs/dbraw/zinc/89/19/91/623891991.db2.gz NOANOCDYEQVKSA-UHFFFAOYSA-N 1 0 287.157 1.380 20 10 CDCDRO COc1cc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c(O)cc1C ZINC000902626922 625053783 /nfs/dbraw/zinc/05/37/83/625053783.db2.gz PCJGMYFQJCXVRC-XJKSGUPXSA-N 1 0 293.363 1.699 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000890056510 633134637 /nfs/dbraw/zinc/13/46/37/633134637.db2.gz YNOMPJHWYLHUGL-GFCCVEGCSA-N 1 0 275.352 1.512 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)[O-])C2)c1 ZINC001607811429 1164305095 /nfs/dbraw/zinc/30/50/95/1164305095.db2.gz UNDZTIRRVNOKAB-ZENOOKHLSA-N 1 0 290.363 1.325 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1O ZINC000870988376 1165250068 /nfs/dbraw/zinc/25/00/68/1165250068.db2.gz NWDYUSPIFWWTRK-YPMHNXCESA-N 1 0 274.364 1.959 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c(O)c1 ZINC000877489020 1166047026 /nfs/dbraw/zinc/04/70/26/1166047026.db2.gz JPMCHYNYLPWVFS-FZMZJTMJSA-N 1 0 251.326 1.330 20 10 CDCDRO COCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001755223175 1185861409 /nfs/dbraw/zinc/86/14/09/1185861409.db2.gz HIDAHHQKARFLJS-OLZOCXBDSA-N 1 0 294.395 1.633 20 10 CDCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)NCC(F)F ZINC000922087435 790280414 /nfs/dbraw/zinc/28/04/14/790280414.db2.gz STOHDABOKCABMM-UHFFFAOYSA-N 1 0 284.306 1.483 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)N1CCCC1 ZINC000381235462 790282226 /nfs/dbraw/zinc/28/22/26/790282226.db2.gz YTCHNGVHVSFVAS-AAEUAGOBSA-N 1 0 274.364 1.980 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037268363 1165762794 /nfs/dbraw/zinc/76/27/94/1165762794.db2.gz MBOXEYYBWAZYSK-ZDUSSCGKSA-N 1 0 275.396 1.901 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037268361 1165762910 /nfs/dbraw/zinc/76/29/10/1165762910.db2.gz MBOXEYYBWAZYSK-CYBMUJFWSA-N 1 0 275.396 1.901 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC000876619085 790513086 /nfs/dbraw/zinc/51/30/86/790513086.db2.gz NVQCYEYEJBRWHJ-OAHLLOKOSA-N 1 0 276.380 1.607 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000817982795 790541977 /nfs/dbraw/zinc/54/19/77/790541977.db2.gz HJRATNVXIHYXBH-IUODEOHRSA-N 1 0 263.385 1.392 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CC2(CC(N)=O)CC2)cc1F ZINC000858180374 790712131 /nfs/dbraw/zinc/71/21/31/790712131.db2.gz SKPKDBSOXOENEB-UHFFFAOYSA-N 1 0 297.349 1.776 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000817996586 790824428 /nfs/dbraw/zinc/82/44/28/790824428.db2.gz KLFCCUXCNHMEPU-OTYXRUKQSA-N 1 0 278.352 1.705 20 10 CDCDRO C[C@@H](CNC(=O)NCc1ccccc1O)[NH+](C)C ZINC000836623189 790835044 /nfs/dbraw/zinc/83/50/44/790835044.db2.gz JTXVHFJYINRVCD-JTQLQIEISA-N 1 0 251.330 1.142 20 10 CDCDRO C[NH2+]Cc1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880995023 790937786 /nfs/dbraw/zinc/93/77/86/790937786.db2.gz IOZNVYHZSHNMPC-UHFFFAOYSA-N 1 0 278.287 1.093 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000825567543 791034844 /nfs/dbraw/zinc/03/48/44/791034844.db2.gz BSPZLDDOQIHHNS-VIFPVBQESA-N 1 0 284.331 1.697 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](O)C2CC2)cc1OC ZINC000809752469 791061351 /nfs/dbraw/zinc/06/13/51/791061351.db2.gz SKKSSEXXFZWMPV-CYBMUJFWSA-N 1 0 281.352 1.612 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000791006542 791066799 /nfs/dbraw/zinc/06/67/99/791066799.db2.gz MAYRUSFKMKCABG-OAHLLOKOSA-N 1 0 295.379 1.125 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@H](CN)C3CC3)CC2)cc1 ZINC000841027611 791073338 /nfs/dbraw/zinc/07/33/38/791073338.db2.gz CWLLNZYFBZIBKJ-QGZVFWFLSA-N 1 0 289.423 1.991 20 10 CDCDRO COCC(=O)NC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876618445 791073512 /nfs/dbraw/zinc/07/35/12/791073512.db2.gz VMTZMULVZTWUNZ-UHFFFAOYSA-N 1 0 292.379 1.428 20 10 CDCDRO C[C@@H]1C[NH2+]CCN1Cc1cc(Br)ccc1O ZINC000722398634 791070661 /nfs/dbraw/zinc/07/06/61/791070661.db2.gz OVVBREJLVPEBHM-SECBINFHSA-N 1 0 285.185 1.948 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000886255630 791094683 /nfs/dbraw/zinc/09/46/83/791094683.db2.gz CZRBJDQMVLRCDC-BZWBGLRVSA-N 1 0 296.386 1.646 20 10 CDCDRO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649164 791105859 /nfs/dbraw/zinc/10/58/59/791105859.db2.gz NESVDIXMSJOMGR-NEPJUHHUSA-N 1 0 253.342 1.829 20 10 CDCDRO CN1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000387315053 791113795 /nfs/dbraw/zinc/11/37/95/791113795.db2.gz RGAGSWFQZMMQOW-OAHLLOKOSA-N 1 0 287.407 1.997 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000877516017 791129860 /nfs/dbraw/zinc/12/98/60/791129860.db2.gz ARWSHCVQAOHUAI-GJZGRUSLSA-N 1 0 290.407 1.996 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)C2CC([NH3+])C2)c1O ZINC000843387900 789886300 /nfs/dbraw/zinc/88/63/00/789886300.db2.gz PSAUTWYAALFAED-UHFFFAOYSA-N 1 0 266.316 1.655 20 10 CDCDRO COC[C@]1(CN[C@@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000817974391 789915079 /nfs/dbraw/zinc/91/50/79/789915079.db2.gz LCSGZFOGZVXTQW-SWLSCSKDSA-N 1 0 264.369 1.811 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC000280420736 789915948 /nfs/dbraw/zinc/91/59/48/789915948.db2.gz ZBQABZXFFKMPFZ-BXKDBHETSA-N 1 0 267.300 1.772 20 10 CDCDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1O ZINC000843121984 789939558 /nfs/dbraw/zinc/93/95/58/789939558.db2.gz MOUJEJFRXJDBGK-ZDUSSCGKSA-N 1 0 290.342 1.411 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1F ZINC000841762056 789957269 /nfs/dbraw/zinc/95/72/69/789957269.db2.gz USBNRVPOERDYTH-LBPRGKRZSA-N 1 0 294.374 1.443 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1ccc(N(C)CC)cc1 ZINC000815120742 789962676 /nfs/dbraw/zinc/96/26/76/789962676.db2.gz MUHJLYTXGFTZOO-UHFFFAOYSA-N 1 0 263.385 1.840 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000323041440 789986699 /nfs/dbraw/zinc/98/66/99/789986699.db2.gz OQMVGSOOGXYXDU-VIFPVBQESA-N 1 0 252.314 1.015 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)CO)cc1 ZINC000929183853 790030459 /nfs/dbraw/zinc/03/04/59/790030459.db2.gz GKLCLGDPZFZPDG-HNNXBMFYSA-N 1 0 266.385 1.318 20 10 CDCDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000776520987 790034174 /nfs/dbraw/zinc/03/41/74/790034174.db2.gz RZNNLYKFFXEGCA-HNNXBMFYSA-N 1 0 281.352 1.575 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841828592 790040230 /nfs/dbraw/zinc/04/02/30/790040230.db2.gz WHRVPVCFCWUPEF-OAHLLOKOSA-N 1 0 290.411 1.598 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000840133121 790080871 /nfs/dbraw/zinc/08/08/71/790080871.db2.gz BJRSEJUDOWAULJ-GASCZTMLSA-N 1 0 292.423 1.896 20 10 CDCDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1O ZINC000312049306 790081080 /nfs/dbraw/zinc/08/10/80/790081080.db2.gz WMBICONETCZDRN-ONGXEEELSA-N 1 0 264.325 1.262 20 10 CDCDRO CCN(CCOCC[NH3+])c1ccc(OC)c(OC)c1 ZINC000843357491 790164976 /nfs/dbraw/zinc/16/49/76/790164976.db2.gz NKDPPJSWTOKPAM-UHFFFAOYSA-N 1 0 268.357 1.505 20 10 CDCDRO COC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000702873873 790182896 /nfs/dbraw/zinc/18/28/96/790182896.db2.gz BCDUKYLJJFAEIL-LLVKDONJSA-N 1 0 265.309 1.732 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]([NH3+])CC(F)F ZINC000385592676 790229198 /nfs/dbraw/zinc/22/91/98/790229198.db2.gz IYQQFPJAHTWMCW-SECBINFHSA-N 1 0 258.268 1.333 20 10 CDCDRO OCCCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790483243 791260591 /nfs/dbraw/zinc/26/05/91/791260591.db2.gz KPAIRGUMUWAKDZ-UHFFFAOYSA-N 1 0 296.386 1.915 20 10 CDCDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000228941336 791281438 /nfs/dbraw/zinc/28/14/38/791281438.db2.gz MOGNEMWDCYKFMB-GHMZBOCLSA-N 1 0 250.342 1.956 20 10 CDCDRO CON1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000846970527 791356059 /nfs/dbraw/zinc/35/60/59/791356059.db2.gz GTRAWDALWGHQNT-UHFFFAOYSA-N 1 0 263.385 1.740 20 10 CDCDRO C[N@H+](CCC[NH3+])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843050200 791373503 /nfs/dbraw/zinc/37/35/03/791373503.db2.gz BKQZLXGMQPMTFU-UHFFFAOYSA-N 1 0 273.720 1.734 20 10 CDCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cccc(Cl)c1O ZINC000890761448 791397516 /nfs/dbraw/zinc/39/75/16/791397516.db2.gz SNVQONFAZFYIKE-QMTHXVAHSA-N 1 0 298.770 1.117 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000799143535 791432520 /nfs/dbraw/zinc/43/25/20/791432520.db2.gz OJUBNPKXMSGVNP-KGLIPLIRSA-N 1 0 290.363 1.939 20 10 CDCDRO CCCN1CC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000389169785 791521283 /nfs/dbraw/zinc/52/12/83/791521283.db2.gz NMKHYENZTHZERW-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877786205 791528390 /nfs/dbraw/zinc/52/83/90/791528390.db2.gz YWTPATHBWJLCQF-UHFFFAOYSA-N 1 0 278.352 1.590 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922250060 791758433 /nfs/dbraw/zinc/75/84/33/791758433.db2.gz NGLWGSBFPZBMGL-UHFFFAOYSA-N 1 0 278.352 1.799 20 10 CDCDRO COCCNC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000839193863 791779046 /nfs/dbraw/zinc/77/90/46/791779046.db2.gz XFAAVYKBMZTNGS-UHFFFAOYSA-N 1 0 291.395 1.137 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000831132637 791806401 /nfs/dbraw/zinc/80/64/01/791806401.db2.gz FRSHOQCMDHBMNG-CHWSQXEVSA-N 1 0 292.427 1.986 20 10 CDCDRO CCc1cccc(CN2CCO[C@@H](CNC(C)=O)C2)c1O ZINC000848887192 791834166 /nfs/dbraw/zinc/83/41/66/791834166.db2.gz QABBEHXLZARECV-HNNXBMFYSA-N 1 0 292.379 1.292 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2nncn2C)c1O ZINC000846148336 791863283 /nfs/dbraw/zinc/86/32/83/791863283.db2.gz ZRESAWRHUPLLIJ-VHSXEESVSA-N 1 0 276.340 1.941 20 10 CDCDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)ccc1N(C)C ZINC000831857137 791873224 /nfs/dbraw/zinc/87/32/24/791873224.db2.gz GOOPAQNMBKKQJY-CQSZACIVSA-N 1 0 261.369 1.511 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC000877330385 791892932 /nfs/dbraw/zinc/89/29/32/791892932.db2.gz BQIBSQAXXPFHBN-AWEZNQCLSA-N 1 0 262.353 1.217 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000090721817 791929734 /nfs/dbraw/zinc/92/97/34/791929734.db2.gz CXMFOMKAMQTACE-YPMHNXCESA-N 1 0 264.369 1.973 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000841848149 792234328 /nfs/dbraw/zinc/23/43/28/792234328.db2.gz XOWNFYZDUYFUCI-QGZVFWFLSA-N 1 0 297.402 1.888 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCN3C)CCOC1 ZINC000160121986 792244282 /nfs/dbraw/zinc/24/42/82/792244282.db2.gz BGOBLSWAQUUIHZ-QGZVFWFLSA-N 1 0 290.407 1.964 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(OC)CCOC2)c1O ZINC000846165584 792392897 /nfs/dbraw/zinc/39/28/97/792392897.db2.gz PCCQYPZLFFDQRD-XHDPSFHLSA-N 1 0 281.352 1.857 20 10 CDCDRO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182406423 792565994 /nfs/dbraw/zinc/56/59/94/792565994.db2.gz GHZVKKBBGKSHFN-QWRGUYRKSA-N 1 0 280.368 1.966 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCN2CCNC2=O)cc1F ZINC000886323000 792625248 /nfs/dbraw/zinc/62/52/48/792625248.db2.gz ANTLHBHRKLOZBO-UHFFFAOYSA-N 1 0 298.337 1.146 20 10 CDCDRO CC[C@H](C(=O)NCc1ccc(OC)cc1O)[NH+](C)C ZINC000794380027 792662095 /nfs/dbraw/zinc/66/20/95/792662095.db2.gz WBCLXXDNHARJRK-GFCCVEGCSA-N 1 0 266.341 1.357 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[NH+]1CCCC1 ZINC000821806381 792698697 /nfs/dbraw/zinc/69/86/97/792698697.db2.gz AUTNDSMKKKLXQQ-NSHDSACASA-N 1 0 278.352 1.241 20 10 CDCDRO C[C@H]([NH2+]CCC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000818978192 792784093 /nfs/dbraw/zinc/78/40/93/792784093.db2.gz FPJYZWZSKFPZBJ-LBPRGKRZSA-N 1 0 277.368 1.049 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000228941347 792796879 /nfs/dbraw/zinc/79/68/79/792796879.db2.gz MOGNEMWDCYKFMB-MNOVXSKESA-N 1 0 250.342 1.956 20 10 CDCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000884028764 792803622 /nfs/dbraw/zinc/80/36/22/792803622.db2.gz QNIHTSPXHCKUJI-CYBMUJFWSA-N 1 0 261.369 1.173 20 10 CDCDRO CCOc1ccccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000311913194 792809466 /nfs/dbraw/zinc/80/94/66/792809466.db2.gz CVRWEPPKONSWKH-ZDUSSCGKSA-N 1 0 264.369 1.952 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCC2(O)CCOCC2)c1O ZINC000846169453 792813673 /nfs/dbraw/zinc/81/36/73/792813673.db2.gz DPKYJKLEIMSUKS-LBPRGKRZSA-N 1 0 295.379 1.983 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758892 792814673 /nfs/dbraw/zinc/81/46/73/792814673.db2.gz KUJCNJKTBALROG-VXGBXAGGSA-N 1 0 290.411 1.604 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH3+])C2)cc1F ZINC000841759496 792815753 /nfs/dbraw/zinc/81/57/53/792815753.db2.gz GPCRSSZLXNFTDF-LLVKDONJSA-N 1 0 280.347 1.134 20 10 CDCDRO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817898886 792820628 /nfs/dbraw/zinc/82/06/28/792820628.db2.gz CCZYDYZHKDEHNO-OCCSQVGLSA-N 1 0 295.402 1.748 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1ccc(N(C)C)cc1 ZINC000871603010 792822190 /nfs/dbraw/zinc/82/21/90/792822190.db2.gz BAEFBMJSFMPQPV-UHFFFAOYSA-N 1 0 264.373 1.355 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c(O)c1 ZINC000776522056 792823798 /nfs/dbraw/zinc/82/37/98/792823798.db2.gz YFCAVZXPEKNSOY-WLRWDXFRSA-N 1 0 285.409 1.990 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1C ZINC000840962612 792827925 /nfs/dbraw/zinc/82/79/25/792827925.db2.gz LPJMVFLHHLYILZ-UKRRQHHQSA-N 1 0 279.380 1.886 20 10 CDCDRO COC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)OC ZINC000781528874 792852957 /nfs/dbraw/zinc/85/29/57/792852957.db2.gz GCLYDPWEPDPJAD-NSHDSACASA-N 1 0 285.340 1.160 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1Cl ZINC000825773619 792853460 /nfs/dbraw/zinc/85/34/60/792853460.db2.gz LVHHEEDIWIBTBA-ISVAXAHUSA-N 1 0 282.771 1.968 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c(O)c1 ZINC000877021590 792868361 /nfs/dbraw/zinc/86/83/61/792868361.db2.gz GRVQEPWCIOAOKF-GJZGRUSLSA-N 1 0 276.380 1.653 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H](COC)OC)c(O)c1 ZINC000781416944 792871703 /nfs/dbraw/zinc/87/17/03/792871703.db2.gz UJXAIXNIYOHNSX-CYBMUJFWSA-N 1 0 269.341 1.542 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1=CC(=O)CS1 ZINC000822156404 792873703 /nfs/dbraw/zinc/87/37/03/792873703.db2.gz QIZLPUUDGSRJSN-QWRGUYRKSA-N 1 0 266.366 1.810 20 10 CDCDRO CN(C(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000877079171 792874134 /nfs/dbraw/zinc/87/41/34/792874134.db2.gz TVZPHBWSJSJPNU-ZDUSSCGKSA-N 1 0 263.341 1.000 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c(O)c1 ZINC000832178604 792874486 /nfs/dbraw/zinc/87/44/86/792874486.db2.gz TZNDFWZMJYFOSF-IUODEOHRSA-N 1 0 276.336 1.017 20 10 CDCDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1COCCO1 ZINC000827141564 792899603 /nfs/dbraw/zinc/89/96/03/792899603.db2.gz UMUIRWHETDJVKC-GFCCVEGCSA-N 1 0 271.744 1.893 20 10 CDCDRO COc1ccc(N2CCN(C[C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000843119119 793032177 /nfs/dbraw/zinc/03/21/77/793032177.db2.gz DPSGLHRVNSLRND-ZDUSSCGKSA-N 1 0 293.386 1.708 20 10 CDCDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1=O ZINC000846208332 793047081 /nfs/dbraw/zinc/04/70/81/793047081.db2.gz IGPFCDDAPBODAV-NWDGAFQWSA-N 1 0 292.379 1.920 20 10 CDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000817414856 793055338 /nfs/dbraw/zinc/05/53/38/793055338.db2.gz PJPSTXQMMRLKDQ-RHSMWYFYSA-N 1 0 290.407 1.868 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)c1O ZINC000857067887 793212250 /nfs/dbraw/zinc/21/22/50/793212250.db2.gz HQBSOLJQEVNUTR-CQSZACIVSA-N 1 0 262.353 1.665 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000809768527 793259976 /nfs/dbraw/zinc/25/99/76/793259976.db2.gz ODMHGTXASKLBMH-ZDUSSCGKSA-N 1 0 283.368 1.619 20 10 CDCDRO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000886854680 793328006 /nfs/dbraw/zinc/32/80/06/793328006.db2.gz XUCLCINEBNBMBI-ZDUSSCGKSA-N 1 0 277.368 1.683 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC(=O)NC(C)(C)C)c1 ZINC000135779670 793422018 /nfs/dbraw/zinc/42/20/18/793422018.db2.gz KKQLLYZIACCFLP-UHFFFAOYSA-N 1 0 280.368 1.795 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000840940312 793612026 /nfs/dbraw/zinc/61/20/26/793612026.db2.gz XAXKSZVCIBORPY-GOEBONIOSA-N 1 0 260.381 1.875 20 10 CDCDRO OC[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305214861 793722358 /nfs/dbraw/zinc/72/23/58/793722358.db2.gz QWOBBJANNZXSFR-INIZCTEOSA-N 1 0 290.407 1.728 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NC(C)C)c1O ZINC000846135146 793760248 /nfs/dbraw/zinc/76/02/48/793760248.db2.gz BPBKYZKVLXFBAH-SNVBAGLBSA-N 1 0 266.341 1.576 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1 ZINC000865663480 793835282 /nfs/dbraw/zinc/83/52/82/793835282.db2.gz XONJFNWDZPSSIS-KLPPZKSPSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@H](NC(=O)C1([NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000166247004 793867794 /nfs/dbraw/zinc/86/77/94/793867794.db2.gz PCHMVSGKJASHII-LBPRGKRZSA-N 1 0 289.379 1.192 20 10 CDCDRO CCOC(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876526920 793868805 /nfs/dbraw/zinc/86/88/05/793868805.db2.gz KXSRFDFMEKIRQS-UHFFFAOYSA-N 1 0 278.352 1.975 20 10 CDCDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817972231 793918165 /nfs/dbraw/zinc/91/81/65/793918165.db2.gz KKZNAAJOMCLODN-MNOVXSKESA-N 1 0 280.368 1.827 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000702638385 794015365 /nfs/dbraw/zinc/01/53/65/794015365.db2.gz YGSQJPZWHCTZDJ-WFASDCNBSA-N 1 0 264.369 1.418 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1O ZINC000846157254 794265658 /nfs/dbraw/zinc/26/56/58/794265658.db2.gz SVDTUDCDWFTXSY-SLEUVZQESA-N 1 0 294.395 1.771 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H](CN)C3CC3)CC2)cc1 ZINC000841027610 794458086 /nfs/dbraw/zinc/45/80/86/794458086.db2.gz CWLLNZYFBZIBKJ-KRWDZBQOSA-N 1 0 289.423 1.991 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000828667865 794569202 /nfs/dbraw/zinc/56/92/02/794569202.db2.gz VIADQBULASMWCR-OWRWGESLSA-N 1 0 290.363 1.578 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2cccc(C)c2O)C1=O ZINC000722344260 794593650 /nfs/dbraw/zinc/59/36/50/794593650.db2.gz AZALXXLIPHDERP-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@]2(C)CCC(=O)N2)c1 ZINC000835060117 794619349 /nfs/dbraw/zinc/61/93/49/794619349.db2.gz JCZGGHRIYIJZJG-AWEZNQCLSA-N 1 0 264.325 1.159 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1 ZINC000834908675 794643849 /nfs/dbraw/zinc/64/38/49/794643849.db2.gz LDNUWDMWHKRYBQ-BMIGLBTASA-N 1 0 278.352 1.720 20 10 CDCDRO OCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000184372032 794680815 /nfs/dbraw/zinc/68/08/15/794680815.db2.gz PMTZLQPRCPIVFQ-UHFFFAOYSA-N 1 0 290.407 1.775 20 10 CDCDRO CCONC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883626145 794698129 /nfs/dbraw/zinc/69/81/29/794698129.db2.gz QVLKUYFOGLBAGQ-UHFFFAOYSA-N 1 0 292.383 1.189 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1C ZINC000826076678 794847552 /nfs/dbraw/zinc/84/75/52/794847552.db2.gz IZXRSAKATKTNOO-BDAKNGLRSA-N 1 0 282.315 1.449 20 10 CDCDRO CCOc1ccc(C[NH2+][C@]2(CCO)CCOC2)c(O)c1 ZINC000775028957 794848165 /nfs/dbraw/zinc/84/81/65/794848165.db2.gz HNIXAMQYUNVJGY-OAHLLOKOSA-N 1 0 281.352 1.422 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c(O)c1 ZINC000877497197 794908608 /nfs/dbraw/zinc/90/86/08/794908608.db2.gz JMHGIFDAVDOLOW-LBPRGKRZSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000877368175 794909217 /nfs/dbraw/zinc/90/92/17/794909217.db2.gz SDZKIXVXJZILKA-GFCCVEGCSA-N 1 0 283.393 1.710 20 10 CDCDRO CC(=O)NCCN(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862399918 794964665 /nfs/dbraw/zinc/96/46/65/794964665.db2.gz HGFULFRORDIGTE-UHFFFAOYSA-N 1 0 285.338 1.599 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000840941270 795123308 /nfs/dbraw/zinc/12/33/08/795123308.db2.gz VFZDOFPNLTWGCW-INIZCTEOSA-N 1 0 278.396 1.692 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C2([NH3+])CC2)cc1 ZINC000846697374 795192671 /nfs/dbraw/zinc/19/26/71/795192671.db2.gz OZOPFAOPHLFXFG-UHFFFAOYSA-N 1 0 277.368 1.081 20 10 CDCDRO COC(=O)N1CC([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846157793 795243890 /nfs/dbraw/zinc/24/38/90/795243890.db2.gz XHGHTUPAXXETBK-VIFPVBQESA-N 1 0 280.324 1.502 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841760442 795255528 /nfs/dbraw/zinc/25/55/28/795255528.db2.gz VRNLPPCYPZSRCD-LBPRGKRZSA-N 1 0 290.411 1.606 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC000930160587 795276530 /nfs/dbraw/zinc/27/65/30/795276530.db2.gz SCMVVLNQQAIOPP-CZUORRHYSA-N 1 0 276.380 1.336 20 10 CDCDRO C[NH2+]CCNCc1cc(C)cc(Br)c1O ZINC000841034895 795371694 /nfs/dbraw/zinc/37/16/94/795371694.db2.gz GPEHRUMKGVXVEG-UHFFFAOYSA-N 1 0 273.174 1.772 20 10 CDCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000228074690 795451141 /nfs/dbraw/zinc/45/11/41/795451141.db2.gz SZSVZMRHIWMYET-DTWKUNHWSA-N 1 0 253.298 1.370 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cccc(C)c2O)C1 ZINC000843434112 795473853 /nfs/dbraw/zinc/47/38/53/795473853.db2.gz HTSCBRAVPCBCCE-QWHCGFSZSA-N 1 0 279.336 1.056 20 10 CDCDRO COc1cccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226771 795474813 /nfs/dbraw/zinc/47/48/13/795474813.db2.gz ZACXCPIBEHGVTH-SWLSCSKDSA-N 1 0 262.353 1.714 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)CC(N)=O)c1O ZINC000161577124 795529072 /nfs/dbraw/zinc/52/90/72/795529072.db2.gz AVJMEIJIJOQEQJ-SECBINFHSA-N 1 0 252.314 1.144 20 10 CDCDRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2O)C1 ZINC000848898276 795624505 /nfs/dbraw/zinc/62/45/05/795624505.db2.gz SHLXMYJXQSIEDJ-AWEZNQCLSA-N 1 0 291.395 1.848 20 10 CDCDRO C[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000824484688 795775260 /nfs/dbraw/zinc/77/52/60/795775260.db2.gz QKJJCMWDALTIEN-UHFFFAOYSA-N 1 0 260.131 1.579 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000843045909 795821679 /nfs/dbraw/zinc/82/16/79/795821679.db2.gz LSURCZVODUNGJM-CMPLNLGQSA-N 1 0 278.352 1.823 20 10 CDCDRO CC[NH+](CC)CCNC(=O)NCc1ccc(OC)cc1O ZINC000792761640 795827587 /nfs/dbraw/zinc/82/75/87/795827587.db2.gz FFKWDYPPMJEXIG-UHFFFAOYSA-N 1 0 295.383 1.542 20 10 CDCDRO O=C(NCC12CCC[NH+]1CCC2)C1=CC(=O)CS1 ZINC000834753113 795847276 /nfs/dbraw/zinc/84/72/76/795847276.db2.gz ZASRRTZFOFBDIM-UHFFFAOYSA-N 1 0 266.366 1.812 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802660707 795856295 /nfs/dbraw/zinc/85/62/95/795856295.db2.gz UKJCXVOTRZBIDS-AWEZNQCLSA-N 1 0 269.316 1.697 20 10 CDCDRO [NH3+][C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000841832753 795857327 /nfs/dbraw/zinc/85/73/27/795857327.db2.gz RXCQBPVYAIDEEZ-AWEZNQCLSA-N 1 0 286.379 1.305 20 10 CDCDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000840963483 795881198 /nfs/dbraw/zinc/88/11/98/795881198.db2.gz OEDCFEPFQHZCAI-ZWNOBZJWSA-N 1 0 269.316 1.408 20 10 CDCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876735784 795882675 /nfs/dbraw/zinc/88/26/75/795882675.db2.gz HTZQODPUWXBQME-LBPRGKRZSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305842874 795994676 /nfs/dbraw/zinc/99/46/76/795994676.db2.gz HNFRVFZPMQZTOP-HOCLYGCPSA-N 1 0 290.407 1.726 20 10 CDCDRO C[NH+](C)C1(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000855023114 796002490 /nfs/dbraw/zinc/00/24/90/796002490.db2.gz RCHBCMNSBHNHOQ-UHFFFAOYSA-N 1 0 268.744 1.756 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1(CO)CC1 ZINC000877642362 796075813 /nfs/dbraw/zinc/07/58/13/796075813.db2.gz WAXZJPPFUZNYTP-UHFFFAOYSA-N 1 0 290.407 1.604 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2COCCO2)c1 ZINC000827141793 796098299 /nfs/dbraw/zinc/09/82/99/796098299.db2.gz XRWNVVHSEMDVJV-ZDUSSCGKSA-N 1 0 267.325 1.248 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)[NH3+])cc1 ZINC000846697762 796125250 /nfs/dbraw/zinc/12/52/50/796125250.db2.gz VVMDYIVSOVNWKB-LBPRGKRZSA-N 1 0 279.384 1.327 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978662 796129733 /nfs/dbraw/zinc/12/97/33/796129733.db2.gz NUKRCPRMCRVXBA-CYBMUJFWSA-N 1 0 277.368 1.676 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(F)cc(F)c1[O-] ZINC000817981633 796270313 /nfs/dbraw/zinc/27/03/13/796270313.db2.gz MDGLMWSXNSWLSE-ONGXEEELSA-N 1 0 286.322 1.700 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC000848902005 796324434 /nfs/dbraw/zinc/32/44/34/796324434.db2.gz IPAQOQPANCZUBY-HNNXBMFYSA-N 1 0 276.380 1.471 20 10 CDCDRO CCN(CC[NH3+])C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861620776 796405430 /nfs/dbraw/zinc/40/54/30/796405430.db2.gz MBHJRVWNCLVEHZ-LBPRGKRZSA-N 1 0 278.400 1.804 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000690729212 896514334 /nfs/dbraw/zinc/51/43/34/896514334.db2.gz HFAUUULZBNHJNQ-NSHDSACASA-N 1 0 262.353 1.652 20 10 CDCDRO CN1C(=O)C[C@]2(CCC[N@H+](Cc3ccccc3O)C2)C1=O ZINC001272619768 914191464 /nfs/dbraw/zinc/19/14/64/914191464.db2.gz ZFKAEXYWGCOAMG-INIZCTEOSA-N 1 0 288.347 1.363 20 10 CDCDRO CN1CCOc2cc(C[NH+]3CCC(C)(O)CC3)ccc21 ZINC001141140429 899779803 /nfs/dbraw/zinc/77/98/03/899779803.db2.gz LXRYKAGXNAWNLN-UHFFFAOYSA-N 1 0 276.380 1.862 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCCS(C)(=O)=O)c1 ZINC000692844962 900732898 /nfs/dbraw/zinc/73/28/98/900732898.db2.gz BBNAUCTYFBTJGF-UHFFFAOYSA-N 1 0 287.381 1.315 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)NC(=N)SCC[NH3+])cc1 ZINC001180129667 916148437 /nfs/dbraw/zinc/14/84/37/916148437.db2.gz BETHMAYWBBAUJZ-VMPITWQZSA-N 1 0 292.408 1.509 20 10 CDCDRO COC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124758833 917610807 /nfs/dbraw/zinc/61/08/07/917610807.db2.gz ANKAHWYGTWFZNV-ZDUSSCGKSA-N 1 0 294.395 1.492 20 10 CDCDRO C[N@@H+]1CCC[C@@](C)(NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182157503 917695254 /nfs/dbraw/zinc/69/52/54/917695254.db2.gz SDCWYNMWDFJCHS-MRXNPFEDSA-N 1 0 292.379 1.631 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c2ccccc2n1C ZINC001138252857 936501565 /nfs/dbraw/zinc/50/15/65/936501565.db2.gz WYXYYKDDLRBYLW-GUYCJALGSA-N 1 0 288.391 1.662 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1O ZINC001138354343 936525015 /nfs/dbraw/zinc/52/50/15/936525015.db2.gz GDUJOMFABSNBAR-LRDDRELGSA-N 1 0 260.381 1.882 20 10 CDCDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CN(C)C1 ZINC001138499755 936542978 /nfs/dbraw/zinc/54/29/78/936542978.db2.gz HTESCFXJMWCIJH-UHFFFAOYSA-N 1 0 289.423 1.659 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001138500301 936543017 /nfs/dbraw/zinc/54/30/17/936543017.db2.gz WJSFORRVXZDFPZ-KRWDZBQOSA-N 1 0 287.407 1.413 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCC(=O)N1 ZINC001202862137 936563650 /nfs/dbraw/zinc/56/36/50/936563650.db2.gz BFRLMEZPDASMME-HNNXBMFYSA-N 1 0 287.407 1.997 20 10 CDCDRO CCOc1cccc(C[NH+]2CC(C(=O)OC)C2)c1O ZINC001203603264 919356232 /nfs/dbraw/zinc/35/62/32/919356232.db2.gz LZYOCMOFTFYYIN-UHFFFAOYSA-N 1 0 265.309 1.396 20 10 CDCDRO C[C@@H]1[C@H](C(=O)NCCc2ccc(N)cc2)CC[N@@H+]1C ZINC000832659146 936590305 /nfs/dbraw/zinc/59/03/05/936590305.db2.gz OFKBMHDEXDADKQ-BXUZGUMPSA-N 1 0 261.369 1.268 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)cc1OC ZINC000843119922 919675979 /nfs/dbraw/zinc/67/59/79/919675979.db2.gz OAAOKEOXTDWWAE-QWRGUYRKSA-N 1 0 280.368 1.592 20 10 CDCDRO C[N@H+](C1CN(Cc2cc(Cl)ccc2O)C1)[C@H]1CCOC1 ZINC001203664170 920566515 /nfs/dbraw/zinc/56/65/15/920566515.db2.gz PPWXQCONJUEPBR-ZDUSSCGKSA-N 1 0 296.798 1.951 20 10 CDCDRO O=C1COC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140057256 936674976 /nfs/dbraw/zinc/67/49/76/936674976.db2.gz DHZMDRCWCCHMSA-UHFFFAOYSA-N 1 0 279.311 1.855 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3cc(C)ccc3O)C2)C1 ZINC001140620559 936731937 /nfs/dbraw/zinc/73/19/37/936731937.db2.gz SMWAYWXYBUCNEF-UHFFFAOYSA-N 1 0 274.364 1.755 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@@H]1O ZINC001140660352 936735995 /nfs/dbraw/zinc/73/59/95/936735995.db2.gz OWLLAYOIMGBATD-LRDDRELGSA-N 1 0 294.370 1.475 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](CO)C2)c1O ZINC001140741967 936748267 /nfs/dbraw/zinc/74/82/67/936748267.db2.gz FNDRNZUOKQRRHT-NSHDSACASA-N 1 0 251.326 1.611 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H](C)C2)c(OC)c1 ZINC001141032067 936795870 /nfs/dbraw/zinc/79/58/70/936795870.db2.gz QXQQYRNZAXFRCZ-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO CN1CCOc2cc(C[NH+]3CCC(CO)CC3)ccc21 ZINC001141142748 936819443 /nfs/dbraw/zinc/81/94/43/936819443.db2.gz ZQJFSDYKKFTYCW-UHFFFAOYSA-N 1 0 276.380 1.720 20 10 CDCDRO CN1CCC([N@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141156195 936821303 /nfs/dbraw/zinc/82/13/03/936821303.db2.gz UGPOWGJDCLPPRO-UHFFFAOYSA-N 1 0 250.342 1.624 20 10 CDCDRO CN1CCOc2cc(CN3CC[C@H]([NH+](C)C)C3)ccc21 ZINC001141139152 936818548 /nfs/dbraw/zinc/81/85/48/936818548.db2.gz KYXJYQSAVXBIQI-AWEZNQCLSA-N 1 0 275.396 1.651 20 10 CDCDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)O1 ZINC001141162288 936823128 /nfs/dbraw/zinc/82/31/28/936823128.db2.gz NXRIXDDXGGPBBK-OAHLLOKOSA-N 1 0 277.320 1.769 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)CO1 ZINC001169326669 927957491 /nfs/dbraw/zinc/95/74/91/927957491.db2.gz MCTBEYLWYXXHSC-JSGCOSHPSA-N 1 0 279.336 1.593 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858161639 928813972 /nfs/dbraw/zinc/81/39/72/928813972.db2.gz CIBINVLJKOTAAQ-NSHDSACASA-N 1 0 288.338 1.518 20 10 CDCDRO CN(c1ccc2c(c1)[C@@H](O)CCO2)C(C)(C)C[NH3+] ZINC001170059874 929245713 /nfs/dbraw/zinc/24/57/13/929245713.db2.gz WNPXDGPRNDPKRV-LBPRGKRZSA-N 1 0 250.342 1.676 20 10 CDCDRO NC(=O)CC1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000817411089 930529634 /nfs/dbraw/zinc/52/96/34/930529634.db2.gz MRZDUTXBMZVYAR-UHFFFAOYSA-N 1 0 268.744 1.791 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc(/C=C/OC)cc1 ZINC001170996296 931203672 /nfs/dbraw/zinc/20/36/72/931203672.db2.gz NUNLSHVKNTZQNZ-DHZHZOJOSA-N 1 0 278.352 1.632 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)C(N)=O ZINC000691398916 931467305 /nfs/dbraw/zinc/46/73/05/931467305.db2.gz BZDLJHZWUKQFQP-ZCFIWIBFSA-N 1 0 273.130 1.118 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC[C@@H]1O ZINC001144500080 931858018 /nfs/dbraw/zinc/85/80/18/931858018.db2.gz OMWOFWDPKXMBNY-CABZTGNLSA-N 1 0 267.325 1.396 20 10 CDCDRO C[N@H+](CCc1ccccn1)Cc1c(O)cc(O)cc1O ZINC001144500610 931859748 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ZINC001206656960 937657205 /nfs/dbraw/zinc/65/72/05/937657205.db2.gz NQDVENZFIWPOFD-LLVKDONJSA-N 1 0 272.295 1.569 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@@H]1C ZINC001120371473 937796388 /nfs/dbraw/zinc/79/63/88/937796388.db2.gz HCDUMTXVHBVFSL-SMDDNHRTSA-N 1 0 262.353 1.900 20 10 CDCDRO CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1ccccc1O ZINC001253699323 935845301 /nfs/dbraw/zinc/84/53/01/935845301.db2.gz KLSXLLSFKXUXHW-GFCCVEGCSA-N 1 0 267.325 1.184 20 10 CDCDRO COc1cc(CN2CCO[C@@H]3C[C@@H]32)cc(C[NH+](C)C)c1O ZINC001139259078 936305468 /nfs/dbraw/zinc/30/54/68/936305468.db2.gz HHWSECDLRSJABC-UONOGXRCSA-N 1 0 292.379 1.436 20 10 CDCDRO Oc1ccc(CNc2ncnc3c2CC[NH2+]CC3)cc1O ZINC001158994798 938686002 /nfs/dbraw/zinc/68/60/02/938686002.db2.gz WPMCVHJWEXBIBZ-UHFFFAOYSA-N 1 0 286.335 1.188 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c1O ZINC001203603272 939696104 /nfs/dbraw/zinc/69/61/04/939696104.db2.gz MGWAAGYJENFWDT-HNNXBMFYSA-N 1 0 281.352 1.374 20 10 CDCDRO COc1cccc(C[NH+]2CC3(C2)CCN(C)C3=O)c1O ZINC001203602299 939696248 /nfs/dbraw/zinc/69/62/48/939696248.db2.gz NNYTZVGGBACDAB-UHFFFAOYSA-N 1 0 276.336 1.065 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c(O)c1 ZINC001203620940 939697007 /nfs/dbraw/zinc/69/70/07/939697007.db2.gz KBPMAKPSBSCSPL-ZDUSSCGKSA-N 1 0 293.363 1.517 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c1 ZINC001203670719 939700386 /nfs/dbraw/zinc/70/03/86/939700386.db2.gz XYWXRNSQAPWALC-FZMZJTMJSA-N 1 0 265.353 1.994 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665834 939700448 /nfs/dbraw/zinc/70/04/48/939700448.db2.gz XECRHXUUOJYZBG-LBPRGKRZSA-N 1 0 299.754 1.810 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC001203684075 939700940 /nfs/dbraw/zinc/70/09/40/939700940.db2.gz LSFMYWIFRKCIFB-ZDUSSCGKSA-N 1 0 295.335 1.165 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203873639 939709809 /nfs/dbraw/zinc/70/98/09/939709809.db2.gz IKWHFAWPHPMKKX-NSHDSACASA-N 1 0 265.309 1.483 20 10 CDCDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203880797 939711280 /nfs/dbraw/zinc/71/12/80/939711280.db2.gz ZYFRGZQUZSEAGT-UHFFFAOYSA-N 1 0 278.308 1.172 20 10 CDCDRO CCC[NH+]1C[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203881930 939711717 /nfs/dbraw/zinc/71/17/17/939711717.db2.gz YMNIZNPEAFJBIE-ZIAGYGMSSA-N 1 0 276.380 1.871 20 10 CDCDRO COC(C[N@H+](C)Cc1ccc(N(C)C)cc1)OC ZINC001203937910 939715300 /nfs/dbraw/zinc/71/53/00/939715300.db2.gz YXBWCQSXQAOITA-UHFFFAOYSA-N 1 0 252.358 1.803 20 10 CDCDRO CN1CCC([N@H+](C)Cc2ccc(O)cc2O)CC1 ZINC001204272435 939749862 /nfs/dbraw/zinc/74/98/62/939749862.db2.gz NXXSZSYDZLOMIF-UHFFFAOYSA-N 1 0 250.342 1.624 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275584 939750212 /nfs/dbraw/zinc/75/02/12/939750212.db2.gz WNLTXNTVKCMKAJ-LBPRGKRZSA-N 1 0 264.325 1.198 20 10 CDCDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278863 939751325 /nfs/dbraw/zinc/75/13/25/939751325.db2.gz KYCRRJZMJKDWHX-HNNXBMFYSA-N 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CVXXBRPLYAPVNL-UHFFFAOYSA-N 1 0 251.326 1.977 20 10 CDCDRO COc1c[nH+]ccc1Nc1ccc(C(N)=O)cc1O ZINC001211264837 940744487 /nfs/dbraw/zinc/74/44/87/940744487.db2.gz NDEHPGJUWRFAFS-UHFFFAOYSA-N 1 0 259.265 1.060 20 10 CDCDRO Cc1cc(C)c(CNC(=O)C[C@H]2COCC[NH2+]2)c(O)c1 ZINC001220825537 941475207 /nfs/dbraw/zinc/47/52/07/941475207.db2.gz LHWUDBLNTSXPOU-LBPRGKRZSA-N 1 0 278.352 1.004 20 10 CDCDRO COc1ccc(N2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)cc1 ZINC001276927800 941704093 /nfs/dbraw/zinc/70/40/93/941704093.db2.gz VAKUDBFSOJKXTJ-WMLDXEAASA-N 1 0 289.423 1.767 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001277441500 942577980 /nfs/dbraw/zinc/57/79/80/942577980.db2.gz MGVAUAJMYSWRQE-IUODEOHRSA-N 1 0 260.337 1.302 20 10 CDCDRO C[NH+]1CCC2(C[NH+](Cc3ccc(C(=O)[O-])cc3O)C2)CC1 ZINC001231453824 942899572 /nfs/dbraw/zinc/89/95/72/942899572.db2.gz KUYACMITMRBXPS-UHFFFAOYSA-N 1 0 290.363 1.618 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1O ZINC001231591297 942937762 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ZINC001232840705 943417522 /nfs/dbraw/zinc/41/75/22/943417522.db2.gz HOMLCIKYTPYXAT-HNNXBMFYSA-N 1 0 293.411 1.221 20 10 CDCDRO C[NH+](C)C[C@@H]1CCCN1Cc1cc(O)c(O)cc1O ZINC001233485734 943593965 /nfs/dbraw/zinc/59/39/65/943593965.db2.gz JARNJJMJOZZGSL-NSHDSACASA-N 1 0 266.341 1.329 20 10 CDCDRO CC[N@H+](CCn1ccnc1)Cc1cc(O)c(O)cc1O ZINC001233487298 943596087 /nfs/dbraw/zinc/59/60/87/943596087.db2.gz XXCFCDITMGFFQQ-UHFFFAOYSA-N 1 0 277.324 1.522 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC[C@H]3CCO3)cc2)CC1 ZINC001234657930 943930785 /nfs/dbraw/zinc/93/07/85/943930785.db2.gz MTYNGVDIZKECSP-MRXNPFEDSA-N 1 0 276.380 1.996 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235043892 944020948 /nfs/dbraw/zinc/02/09/48/944020948.db2.gz GWYMHEDQCFXGJY-UONOGXRCSA-N 1 0 261.369 1.394 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1OC ZINC001235171571 944077988 /nfs/dbraw/zinc/07/79/88/944077988.db2.gz DWJKLWVHSBJRAF-XHDPSFHLSA-N 1 0 278.352 1.333 20 10 CDCDRO CN1CCCc2cc(CN3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235981369 944345748 /nfs/dbraw/zinc/34/57/48/944345748.db2.gz QFGOTTPDZBABEY-DOTOQJQBSA-N 1 0 271.408 1.992 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@@H]2C[NH3+])cc1Cl ZINC001236251697 944437568 /nfs/dbraw/zinc/43/75/68/944437568.db2.gz YKCFHTNEYRSDDM-SNVBAGLBSA-N 1 0 270.760 1.977 20 10 CDCDRO Fc1cc(N2CCOCC2)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236282579 944442342 /nfs/dbraw/zinc/44/23/42/944442342.db2.gz CWRHUKSKXKYXAM-CZUORRHYSA-N 1 0 291.370 1.066 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1 ZINC001236808020 944576292 /nfs/dbraw/zinc/57/62/92/944576292.db2.gz KOVJDVVKTCSDSM-OAHLLOKOSA-N 1 0 281.352 1.292 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC001236809551 944576843 /nfs/dbraw/zinc/57/68/43/944576843.db2.gz XUCAZZKHZLCRGE-BMIGLBTASA-N 1 0 265.353 1.912 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001237037862 944644505 /nfs/dbraw/zinc/64/45/05/944644505.db2.gz AAMHTLPTFVVQJH-GXTWGEPZSA-N 1 0 269.316 1.696 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1O ZINC001238063741 945046105 /nfs/dbraw/zinc/04/61/05/945046105.db2.gz LXSNPYMFEDPFHG-UKRRQHHQSA-N 1 0 283.343 1.405 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238060656 945046386 /nfs/dbraw/zinc/04/63/86/945046386.db2.gz DHXYKMNAAHWRRG-AWEZNQCLSA-N 1 0 280.343 1.940 20 10 CDCDRO Cn1ccc2c1nccc2-c1cnn(C2C[NH2+]C2)c1 ZINC001241613939 946389597 /nfs/dbraw/zinc/38/95/97/946389597.db2.gz ANEDXLOLYZFEMX-UHFFFAOYSA-N 1 0 253.309 1.581 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262577384 946728823 /nfs/dbraw/zinc/72/88/23/946728823.db2.gz OXRNLLGBYMOCAV-HUUCEWRRSA-N 1 0 290.411 1.941 20 10 CDCDRO O=S1(=O)CC=C(c2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001245212279 947584167 /nfs/dbraw/zinc/58/41/67/947584167.db2.gz PAOSDKFIZFDHPG-UHFFFAOYSA-N 1 0 292.404 1.298 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC3(CSC3)C2)c(O)c1 ZINC001249217021 949461002 /nfs/dbraw/zinc/46/10/02/949461002.db2.gz KUJLOZOUDNCRIQ-UHFFFAOYSA-N 1 0 293.388 1.657 20 10 CDCDRO CCN(Cc1ccccc1O)C(=S)NCC[NH+](C)C ZINC001249836293 949826269 /nfs/dbraw/zinc/82/62/69/949826269.db2.gz JDXCSNPXYCFPRI-UHFFFAOYSA-N 1 0 281.425 1.650 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C(=O)OC(C)(C)C)cc1 ZINC001253712578 952056303 /nfs/dbraw/zinc/05/63/03/952056303.db2.gz UPOSTPMEORIQBG-CQSZACIVSA-N 1 0 294.395 1.545 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C2)cc1 ZINC001325853978 954108211 /nfs/dbraw/zinc/10/82/11/954108211.db2.gz INZWLBAERMSZFF-MELADBBJSA-N 1 0 278.396 1.880 20 10 CDCDRO COc1cccc(CNC(=O)NCCCCCC[NH3+])c1O ZINC001326026914 954190004 /nfs/dbraw/zinc/19/00/04/954190004.db2.gz JJTQRLWSFDYZKF-UHFFFAOYSA-N 1 0 295.383 1.719 20 10 CDCDRO CN1CCN(c2ccc(CNCC3([NH3+])CC3)cc2F)CC1 ZINC001334754842 959330376 /nfs/dbraw/zinc/33/03/76/959330376.db2.gz SSQNCQPVQCPYCA-UHFFFAOYSA-N 1 0 292.402 1.158 20 10 CDCDRO CN1CCN(c2ccc(C[NH2+]CCCCO)cc2F)CC1 ZINC001321047213 959558457 /nfs/dbraw/zinc/55/84/57/959558457.db2.gz UKVWAJUJMAMHIP-UHFFFAOYSA-N 1 0 295.402 1.440 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC001335285857 959683709 /nfs/dbraw/zinc/68/37/09/959683709.db2.gz SMRIBVWZDFCWHH-AWEZNQCLSA-N 1 0 271.368 1.773 20 10 CDCDRO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001335557034 959888004 /nfs/dbraw/zinc/88/80/04/959888004.db2.gz ZRLIVZXLCWVBFC-NSHDSACASA-N 1 0 264.373 1.586 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC001321868669 959993987 /nfs/dbraw/zinc/99/39/87/959993987.db2.gz SNFNFNDHIHORTR-CHWSQXEVSA-N 1 0 279.336 1.832 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001337020189 960859183 /nfs/dbraw/zinc/85/91/83/960859183.db2.gz ZPHBSQIICFECHO-SMDDNHRTSA-N 1 0 276.384 1.680 20 10 CDCDRO C[N@H+](CCCF)Cc1cc2c(cc1O)OC[C@H]2O ZINC001349957992 966541646 /nfs/dbraw/zinc/54/16/46/966541646.db2.gz GOJAUYCFWWKPBX-GFCCVEGCSA-N 1 0 255.289 1.609 20 10 CDCDRO C[C@@]1(C(=O)NCc2c(O)cccc2F)CCC[NH2+]C1 ZINC001354864001 968937743 /nfs/dbraw/zinc/93/77/43/968937743.db2.gz BJWNELHPPKUWPA-CQSZACIVSA-N 1 0 266.316 1.537 20 10 CDCDRO C[C@@H](NC(=O)CC(C)(C)C[NH3+])c1ccccc1O ZINC001522344759 970422550 /nfs/dbraw/zinc/42/25/50/970422550.db2.gz YWDDIJMSMNGTGY-SNVBAGLBSA-N 1 0 250.342 1.944 20 10 CDCDRO CC1(C)[NH2+][C@H](CCC(=O)NCc2cc(O)ccc2O)CO1 ZINC001576490032 1171437069 /nfs/dbraw/zinc/43/70/69/1171437069.db2.gz XHIRPTAGGXZOIX-LLVKDONJSA-N 1 0 294.351 1.219 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1C ZINC000229638949 539044877 /nfs/dbraw/zinc/04/48/77/539044877.db2.gz DBVSEIZXFROAJY-AWEZNQCLSA-N 1 0 251.326 1.245 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1 ZINC000184195558 343163055 /nfs/dbraw/zinc/16/30/55/343163055.db2.gz NQLGANFNMHISHZ-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)cc1 ZINC000090850005 342397669 /nfs/dbraw/zinc/39/76/69/342397669.db2.gz LAJHQRNASUSJGC-XJKSGUPXSA-N 1 0 278.396 1.945 20 10 CDCDRO NC(=O)CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179937001 357232619 /nfs/dbraw/zinc/23/26/19/357232619.db2.gz UXVXQYFQJLZPJO-UHFFFAOYSA-N 1 0 266.316 1.619 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1O ZINC000180453176 357271234 /nfs/dbraw/zinc/27/12/34/357271234.db2.gz KBOFTHMFHXOPOG-HNNXBMFYSA-N 1 0 290.407 1.855 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c(O)c1 ZINC000294459228 199048242 /nfs/dbraw/zinc/04/82/42/199048242.db2.gz WCSALJUXPZPOMH-UPJWGTAASA-N 1 0 265.353 1.891 20 10 CDCDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000294914527 199245572 /nfs/dbraw/zinc/24/55/72/199245572.db2.gz AJJCSJZOVKZJNO-INIZCTEOSA-N 1 0 293.363 1.712 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCOC1)OCO2 ZINC000042880297 358983551 /nfs/dbraw/zinc/98/35/51/358983551.db2.gz PMPWPKAMRDFHCZ-JTQLQIEISA-N 1 0 265.309 1.637 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)cc1 ZINC000370905059 359113139 /nfs/dbraw/zinc/11/31/39/359113139.db2.gz MZVDEAZNKLLFHJ-HNNXBMFYSA-N 1 0 299.422 1.855 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCN2CCSCC2)c1 ZINC000226648503 359711348 /nfs/dbraw/zinc/71/13/48/359711348.db2.gz IMLXRZGMPUPJQV-UHFFFAOYSA-N 1 0 266.410 1.839 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](CC(N)=O)CC(C)C)c1 ZINC000132893859 361293214 /nfs/dbraw/zinc/29/32/14/361293214.db2.gz ACVHGQLQDZNECI-UHFFFAOYSA-N 1 0 250.342 1.644 20 10 CDCDRO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)ccc1N(C)C ZINC000293577273 370696418 /nfs/dbraw/zinc/69/64/18/370696418.db2.gz SYDNLCUCDIUKRR-HNNXBMFYSA-N 1 0 275.396 1.901 20 10 CDCDRO CN(C)CC1([NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000282250363 364006807 /nfs/dbraw/zinc/00/68/07/364006807.db2.gz OMBFOADDGLUXAN-UHFFFAOYSA-N 1 0 278.352 1.695 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CO)CCOC)c1O ZINC000282122571 363958869 /nfs/dbraw/zinc/95/88/69/363958869.db2.gz FQYYHRIRNRVCCQ-GFCCVEGCSA-N 1 0 269.341 1.278 20 10 CDCDRO CCCC[N@H+](CCO)Cc1cccc(OC)c1O ZINC000270995916 364863999 /nfs/dbraw/zinc/86/39/99/364863999.db2.gz JRRSAFVTNBBLCG-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccccc1O ZINC000272879869 365429895 /nfs/dbraw/zinc/42/98/95/365429895.db2.gz QJWLOSXRTNEXMX-QMTHXVAHSA-N 1 0 261.325 1.510 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273366867 365489491 /nfs/dbraw/zinc/48/94/91/365489491.db2.gz BRVJGBOZMIMSSV-FZMZJTMJSA-N 1 0 279.380 1.929 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c(O)c1 ZINC000273490422 365500540 /nfs/dbraw/zinc/50/05/40/365500540.db2.gz OCMBNWPAKVOWNH-BXUZGUMPSA-N 1 0 275.352 1.818 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c(O)c1C ZINC000273524589 365503906 /nfs/dbraw/zinc/50/39/06/365503906.db2.gz UYCICBBZPFLJTO-DOMZBBRYSA-N 1 0 265.353 1.811 20 10 CDCDRO CC[N@H+](CCNC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000226397385 367368103 /nfs/dbraw/zinc/36/81/03/367368103.db2.gz RUQNAWPEQXMIRH-UHFFFAOYSA-N 1 0 261.369 1.412 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCNC1=O ZINC000281770353 367685124 /nfs/dbraw/zinc/68/51/24/367685124.db2.gz MDSNCDDHEFPTCB-CQSZACIVSA-N 1 0 279.359 1.602 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)CCOC)c1 ZINC000282132707 367740491 /nfs/dbraw/zinc/74/04/91/367740491.db2.gz GLLLPCGYNAWAIK-GFCCVEGCSA-N 1 0 269.341 1.278 20 10 CDCDRO C[NH2+]CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000285982854 368682198 /nfs/dbraw/zinc/68/21/98/368682198.db2.gz HWPYMSODIUIHGP-UHFFFAOYSA-N 1 0 263.341 1.088 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)OCCO)cc1 ZINC000288523357 370207758 /nfs/dbraw/zinc/20/77/58/370207758.db2.gz UYDXAHCCHTYSMY-UHFFFAOYSA-N 1 0 266.385 1.630 20 10 CDCDRO O=C(C[NH2+][C@@H]1CCc2cccc(O)c21)NCC(F)F ZINC000296391786 371435240 /nfs/dbraw/zinc/43/52/40/371435240.db2.gz JXIDCEBYKJBWCP-SECBINFHSA-N 1 0 270.279 1.350 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCS(C)(=O)=O)c1O ZINC000228672467 390937071 /nfs/dbraw/zinc/93/70/71/390937071.db2.gz QMIVUSFDLYMFGJ-UHFFFAOYSA-N 1 0 293.772 1.188 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000133273701 390902822 /nfs/dbraw/zinc/90/28/22/390902822.db2.gz ABFVMWZWONMOCP-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000093808766 390904249 /nfs/dbraw/zinc/90/42/49/390904249.db2.gz CCOCILMYCNEZHH-GFCCVEGCSA-N 1 0 292.379 1.878 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c1O ZINC000105488008 391065400 /nfs/dbraw/zinc/06/54/00/391065400.db2.gz VTKJRPLBBOUGPE-LLVKDONJSA-N 1 0 264.369 1.973 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000182325813 391232572 /nfs/dbraw/zinc/23/25/72/391232572.db2.gz WZIYGTDQVBVGKC-SNVBAGLBSA-N 1 0 267.325 1.060 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000168181921 391276476 /nfs/dbraw/zinc/27/64/76/391276476.db2.gz FVYSBMCRWXJYIB-XTZNXHDOSA-N 1 0 271.382 1.648 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000188469916 391404637 /nfs/dbraw/zinc/40/46/37/391404637.db2.gz GRICZDFKISZAKV-NSHDSACASA-N 1 0 262.353 1.578 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000361049750 391679028 /nfs/dbraw/zinc/67/90/28/391679028.db2.gz DNSXRQXSIVLANF-ZBFHGGJFSA-N 1 0 294.370 1.562 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000038082860 174091553 /nfs/dbraw/zinc/09/15/53/174091553.db2.gz QADMBKSMOCYTPS-DGCLKSJQSA-N 1 0 283.393 1.868 20 10 CDCDRO COCCOCCC[NH2+]Cc1cccc(OC)c1O ZINC000020192080 292576800 /nfs/dbraw/zinc/57/68/00/292576800.db2.gz QCHODFAHVBAMIQ-UHFFFAOYSA-N 1 0 269.341 1.544 20 10 CDCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)N1CCOCC1 ZINC000037362735 260094530 /nfs/dbraw/zinc/09/45/30/260094530.db2.gz YESUQLVAQLVNGY-UHFFFAOYSA-N 1 0 290.407 1.822 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000037497467 260112905 /nfs/dbraw/zinc/11/29/05/260112905.db2.gz OAWHHBPNBGLOGS-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000132874061 260512475 /nfs/dbraw/zinc/51/24/75/260512475.db2.gz DLJWJQRWSLNBRF-HUUCEWRRSA-N 1 0 273.380 1.554 20 10 CDCDRO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(F)ccc1O ZINC000185003063 262036340 /nfs/dbraw/zinc/03/63/40/262036340.db2.gz QERKCRLFRCPZOQ-JTQLQIEISA-N 1 0 296.342 1.464 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O ZINC000186089384 262079280 /nfs/dbraw/zinc/07/92/80/262079280.db2.gz VKHHEXYKRRDSKY-GXSJLCMTSA-N 1 0 278.327 1.945 20 10 CDCDRO C[C@H]([NH2+]CC1(CO)COC1)c1cc2c(cc1O)CCCC2 ZINC000186146332 262081775 /nfs/dbraw/zinc/08/17/75/262081775.db2.gz JMTYOEBCHXUYOC-LBPRGKRZSA-N 1 0 291.391 1.931 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1F ZINC000292711169 263134104 /nfs/dbraw/zinc/13/41/04/263134104.db2.gz OROYQPVCTHMBHD-OLZOCXBDSA-N 1 0 282.359 1.521 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000228062057 289980603 /nfs/dbraw/zinc/98/06/03/289980603.db2.gz FTWBTJMUUANBBN-WOSRLPQWSA-N 1 0 278.396 1.943 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000292663560 328273053 /nfs/dbraw/zinc/27/30/53/328273053.db2.gz ANGFTAYOBXFWIY-ZDUSSCGKSA-N 1 0 277.412 1.875 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)C(=O)NC)c1O ZINC000093899055 327146072 /nfs/dbraw/zinc/14/60/72/327146072.db2.gz GTIUKELDIZMDGV-LLVKDONJSA-N 1 0 280.368 1.605 20 10 CDCDRO CC(=O)NCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000220503087 333166959 /nfs/dbraw/zinc/16/69/59/333166959.db2.gz OKSOYQOANHKXDG-UHFFFAOYSA-N 1 0 262.353 1.740 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1 ZINC000135204717 334119666 /nfs/dbraw/zinc/11/96/66/334119666.db2.gz VKVIYUQZRFAUCM-UWVGGRQHSA-N 1 0 265.309 1.636 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccccc1O)C(=O)NCC(F)(F)F ZINC000134229374 1160195465 /nfs/dbraw/zinc/19/54/65/1160195465.db2.gz SVDRXTKXXOYEHU-MRVPVSSYSA-N 1 0 276.258 1.549 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCN1CCC1 ZINC000697357955 1160487984 /nfs/dbraw/zinc/48/79/84/1160487984.db2.gz HRWPCUOFCGBZEK-UHFFFAOYSA-N 1 0 275.396 1.319 20 10 CDCDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)OCCO ZINC000290124081 519268574 /nfs/dbraw/zinc/26/85/74/519268574.db2.gz JBZQJQPTTSSFQI-UHFFFAOYSA-N 1 0 257.305 1.408 20 10 CDCDRO CC[NH+](CC)CCNC(=O)c1cccc(O)c1O ZINC000126219368 520685014 /nfs/dbraw/zinc/68/50/14/520685014.db2.gz DUOQLFKTXXHQSK-UHFFFAOYSA-N 1 0 252.314 1.169 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000279647881 521361737 /nfs/dbraw/zinc/36/17/37/521361737.db2.gz KARBXAUGCDIPCC-UHFFFAOYSA-N 1 0 299.392 1.458 20 10 CDCDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000291633336 521611182 /nfs/dbraw/zinc/61/11/82/521611182.db2.gz UYOIHYFYBOFDPM-LLVKDONJSA-N 1 0 280.368 1.948 20 10 CDCDRO CCNC(=O)C1(C[NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC000277103881 521733413 /nfs/dbraw/zinc/73/34/13/521733413.db2.gz HIWHQXOHBVHBII-UHFFFAOYSA-N 1 0 292.379 1.797 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCOC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000364857215 521870238 /nfs/dbraw/zinc/87/02/38/521870238.db2.gz KFMQMPVRBKXUIE-JTQLQIEISA-N 1 0 296.323 1.777 20 10 CDCDRO CC[C@@H]([NH2+]CCCOCCO)c1ccccc1O ZINC000157923607 522829528 /nfs/dbraw/zinc/82/95/28/522829528.db2.gz SKRMGTGBGPNCIS-CYBMUJFWSA-N 1 0 253.342 1.832 20 10 CDCDRO C[NH+]1CCC(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000237105152 523750524 /nfs/dbraw/zinc/75/05/24/523750524.db2.gz MPKJFWMUMIIDSZ-UHFFFAOYSA-N 1 0 261.369 1.269 20 10 CDCDRO CN1CCCc2cc(C[NH2+]C3CCN(C=O)CC3)ccc21 ZINC000278675481 523863769 /nfs/dbraw/zinc/86/37/69/523863769.db2.gz JMAXLANARZXIIL-UHFFFAOYSA-N 1 0 287.407 1.779 20 10 CDCDRO Cc1cc(C(=O)N(C)[C@@H](C)C[NH3+])c(C)n1-c1ccccn1 ZINC000237463243 526224114 /nfs/dbraw/zinc/22/41/14/526224114.db2.gz YBIZLXJXPJQLMG-LBPRGKRZSA-N 1 0 286.379 1.908 20 10 CDCDRO O=C(NC1CC[NH+](C2CC2)CC1)c1c(F)ccc(O)c1O ZINC000276496100 527525527 /nfs/dbraw/zinc/52/55/27/527525527.db2.gz HFYOGTAMJPGVKM-UHFFFAOYSA-N 1 0 294.326 1.594 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)[C@H]1CCOC1 ZINC000280245251 527579471 /nfs/dbraw/zinc/57/94/71/527579471.db2.gz IKSOVFFLKVFQAG-WDEREUQCSA-N 1 0 285.771 1.780 20 10 CDCDRO O=C(CC[NH2+]Cc1ccccc1O)Nc1ccccn1 ZINC000725849263 574444579 /nfs/dbraw/zinc/44/45/79/574444579.db2.gz YAKJJIDLKZAEBF-UHFFFAOYSA-N 1 0 271.320 1.906 20 10 CDCDRO CC[C@@H](CO)[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000727060858 574540166 /nfs/dbraw/zinc/54/01/66/574540166.db2.gz XINRLVUHWDEQJQ-AWEZNQCLSA-N 1 0 293.411 1.072 20 10 CDCDRO O=C(NC1CC[NH+](C2CC2)CC1)C1=CC(=O)CS1 ZINC000731867294 575068354 /nfs/dbraw/zinc/06/83/54/575068354.db2.gz ROXSNSMLIFUSFU-UHFFFAOYSA-N 1 0 266.366 1.810 20 10 CDCDRO C[N@H+](CCN1CCOC1=O)Cc1ccccc1O ZINC000732203274 575083316 /nfs/dbraw/zinc/08/33/16/575083316.db2.gz UQVMXADEBJOPPH-UHFFFAOYSA-N 1 0 250.298 1.276 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)NCc1ccccc1O ZINC000732887112 575098535 /nfs/dbraw/zinc/09/85/35/575098535.db2.gz MFFCGZIMKIHVBL-UHFFFAOYSA-N 1 0 279.384 1.923 20 10 CDCDRO CCOc1ccc(C[NH2+]CCc2cnccn2)c(O)c1 ZINC000774833260 575244846 /nfs/dbraw/zinc/24/48/46/575244846.db2.gz QYJSFRRVWSGFTD-UHFFFAOYSA-N 1 0 273.336 1.913 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734285173 575335054 /nfs/dbraw/zinc/33/50/54/575335054.db2.gz HIPVVMRFTMWQLW-ZDUSSCGKSA-N 1 0 289.379 1.770 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000769540289 575357936 /nfs/dbraw/zinc/35/79/36/575357936.db2.gz LBGCCIQQNDHGMM-TXEJJXNPSA-N 1 0 292.379 1.890 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1 ZINC000773829315 575839845 /nfs/dbraw/zinc/83/98/45/575839845.db2.gz AUTKBSLNVNTVPZ-INIZCTEOSA-N 1 0 278.396 1.726 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2(O)CC(OCC)C2)c(O)c1 ZINC000767738766 576225392 /nfs/dbraw/zinc/22/53/92/576225392.db2.gz NLNOQOOLMHLQGD-UHFFFAOYSA-N 1 0 295.379 1.811 20 10 CDCDRO CO[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768453621 576285956 /nfs/dbraw/zinc/28/59/56/576285956.db2.gz ZYZZBCKGXMANEI-FZMZJTMJSA-N 1 0 279.336 1.429 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCOC1 ZINC000768462700 576287453 /nfs/dbraw/zinc/28/74/53/576287453.db2.gz BXVMTAOLFMAOIP-QMTHXVAHSA-N 1 0 279.336 1.286 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1ccc(OCC)cc1O ZINC000769001203 576321521 /nfs/dbraw/zinc/32/15/21/576321521.db2.gz ZTMPMGNEZZFBAX-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCN(C)C2)c2c1c(F)ccc2O ZINC000762787622 576672306 /nfs/dbraw/zinc/67/23/06/576672306.db2.gz MXKLMPVKGIOCSM-SIVJFFJCSA-N 1 0 294.370 1.736 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)c2c1c(F)ccc2O ZINC000756505666 576992571 /nfs/dbraw/zinc/99/25/71/576992571.db2.gz VDKZSKKQMFTGRT-WCBMZHEXSA-N 1 0 287.356 1.714 20 10 CDCDRO O=C1NCCc2ccc(C[NH2+]Cc3ccccc3O)cc21 ZINC000757942498 577062338 /nfs/dbraw/zinc/06/23/38/577062338.db2.gz IWUHOPJTBYJKJS-UHFFFAOYSA-N 1 0 282.343 1.968 20 10 CDCDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCNC1=O ZINC000758401011 577105531 /nfs/dbraw/zinc/10/55/31/577105531.db2.gz PJRAPEUDMPKFBH-CQSZACIVSA-N 1 0 270.332 1.866 20 10 CDCDRO O=C1NC2(CO1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000753586122 577178495 /nfs/dbraw/zinc/17/84/95/577178495.db2.gz BFRJTUINBONSFO-UHFFFAOYSA-N 1 0 280.299 1.606 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892475444 617403738 /nfs/dbraw/zinc/40/37/38/617403738.db2.gz HSSITCBEJYKRTH-OCCSQVGLSA-N 1 0 296.436 1.665 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1O ZINC000892050947 617444275 /nfs/dbraw/zinc/44/42/75/617444275.db2.gz JJYBGULMPUHNDP-SKDRFNHKSA-N 1 0 263.341 1.490 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1O ZINC000892081807 617468988 /nfs/dbraw/zinc/46/89/88/617468988.db2.gz FBEQGNQJWNNBGL-NEPJUHHUSA-N 1 0 277.368 1.895 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)N[C@H](C)c1ccccc1O ZINC000892143890 617505752 /nfs/dbraw/zinc/50/57/52/617505752.db2.gz GZQPGOIXDBRJFW-ZJUUUORDSA-N 1 0 251.330 1.490 20 10 CDCDRO COc1ccc(C[NH2+]CCCC(=O)N(C)C)c(O)c1OC ZINC000892697635 617600158 /nfs/dbraw/zinc/60/01/58/617600158.db2.gz USOMMTLUUZBWQX-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000840973388 617917757 /nfs/dbraw/zinc/91/77/57/617917757.db2.gz LPRBOYGUQZSZJB-UHFFFAOYSA-N 1 0 285.409 1.923 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(OC)c(OC)c2O)C[C@H]1C ZINC000891991778 617963450 /nfs/dbraw/zinc/96/34/50/617963450.db2.gz HTTBXHGDQMDLIU-GFCCVEGCSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1ccc(C[NH2+]CC(C)(C)N(C)C)c(O)c1OC ZINC000892431228 618193295 /nfs/dbraw/zinc/19/32/95/618193295.db2.gz BZOQAOWIMDSBOJ-UHFFFAOYSA-N 1 0 282.384 1.839 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894018717 618244577 /nfs/dbraw/zinc/24/45/77/618244577.db2.gz BNRZXFPFWJJOFM-GFCCVEGCSA-N 1 0 292.379 1.667 20 10 CDCDRO CCOc1cccc(CN[C@@H]2CCC[NH2+]C2)c1O ZINC000841043792 618678050 /nfs/dbraw/zinc/67/80/50/618678050.db2.gz WIFBJJPXZFMJLR-GFCCVEGCSA-N 1 0 250.342 1.633 20 10 CDCDRO COCC1(C[NH2+]Cc2cccc(F)c2[O-])CC[NH2+]CC1 ZINC000841067798 618680897 /nfs/dbraw/zinc/68/08/97/618680897.db2.gz FBWBPDKNLITGOY-UHFFFAOYSA-N 1 0 282.359 1.637 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(CO)CCOCC2)c1O ZINC000894359930 618820337 /nfs/dbraw/zinc/82/03/37/618820337.db2.gz USNMYUQNVSHJGU-UHFFFAOYSA-N 1 0 295.379 1.588 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)O)c1O ZINC000894437955 618887102 /nfs/dbraw/zinc/88/71/02/618887102.db2.gz UACHTHDKCCDHPU-MNOVXSKESA-N 1 0 253.342 1.958 20 10 CDCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCNC1=O ZINC000894664730 619007993 /nfs/dbraw/zinc/00/79/93/619007993.db2.gz ZNDGYUFSAHEOMD-GFCCVEGCSA-N 1 0 278.352 1.420 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C)c1O ZINC000894760876 619050534 /nfs/dbraw/zinc/05/05/34/619050534.db2.gz MHTHIUWIJVFNBI-NSHDSACASA-N 1 0 252.358 1.749 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1O ZINC000894932850 619146337 /nfs/dbraw/zinc/14/63/37/619146337.db2.gz NLWJCDFUSKVZLA-DGCLKSJQSA-N 1 0 265.353 1.960 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895323219 619556311 /nfs/dbraw/zinc/55/63/11/619556311.db2.gz AWZVWNBYUMAOPL-DOMZBBRYSA-N 1 0 281.352 1.027 20 10 CDCDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000895327968 619565684 /nfs/dbraw/zinc/56/56/84/619565684.db2.gz FONAWCWXPPWRDN-GWCFXTLKSA-N 1 0 271.744 1.363 20 10 CDCDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000895329335 619568530 /nfs/dbraw/zinc/56/85/30/619568530.db2.gz JEYBUOOTQXQHAS-AAEUAGOBSA-N 1 0 271.744 1.363 20 10 CDCDRO CCN1CC[C@@H]1C[NH2+]Cc1c(O)cccc1OC ZINC000883361226 620024208 /nfs/dbraw/zinc/02/42/08/620024208.db2.gz WZETWFFGFYRCKJ-LLVKDONJSA-N 1 0 250.342 1.585 20 10 CDCDRO [NH3+]CC[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000841335666 620277369 /nfs/dbraw/zinc/27/73/69/620277369.db2.gz RLCSWIVGXBMRQS-SNVBAGLBSA-N 1 0 291.273 1.471 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)[C@H](C)O)cc1 ZINC000929185739 621563663 /nfs/dbraw/zinc/56/36/63/621563663.db2.gz YEOXZYPRYBLPHX-XJKSGUPXSA-N 1 0 280.412 1.706 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCCNC(=O)[C@H]2CC)c1 ZINC000898541112 621786235 /nfs/dbraw/zinc/78/62/35/621786235.db2.gz FYTYNRWLQKVQBH-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1O ZINC000906517335 627301829 /nfs/dbraw/zinc/30/18/29/627301829.db2.gz NBCBKNRQWQZURG-MGCOHNPYSA-N 1 0 256.733 1.634 20 10 CDCDRO C[NH+](C)C1(C(=O)NCc2ccc(O)cc2O)CCC1 ZINC000910946950 629126451 /nfs/dbraw/zinc/12/64/51/629126451.db2.gz WOQGFUIGFNRYTA-UHFFFAOYSA-N 1 0 264.325 1.198 20 10 CDCDRO COCCOCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000044424519 630401014 /nfs/dbraw/zinc/40/10/14/630401014.db2.gz GXEMGVPOXPZKMR-UHFFFAOYSA-N 1 0 294.395 1.276 20 10 CDCDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2O)C1(C)C ZINC000157718071 630609216 /nfs/dbraw/zinc/60/92/16/630609216.db2.gz LBLPPLDHCHOFCT-XJKSGUPXSA-N 1 0 292.379 1.541 20 10 CDCDRO OCC1([NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921751450 633265788 /nfs/dbraw/zinc/26/57/88/633265788.db2.gz XCVMXRYATQHSLG-UHFFFAOYSA-N 1 0 277.364 1.643 20 10 CDCDRO C[C@@H]1CN(CC[N@H+](C)Cc2ccccc2O)C[C@@H](C)O1 ZINC000851840403 1164447971 /nfs/dbraw/zinc/44/79/71/1164447971.db2.gz FWYHVWUYZWIVFR-ZIAGYGMSSA-N 1 0 278.396 1.933 20 10 CDCDRO C[NH2+]C[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC001578738087 1171992008 /nfs/dbraw/zinc/99/20/08/1171992008.db2.gz YPWVZNQCBOLAOX-SECBINFHSA-N 1 0 254.355 1.668 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](ON)C(C)C)c(O)c1OC ZINC001579216392 1172117974 /nfs/dbraw/zinc/11/79/74/1172117974.db2.gz RNPOZPDGICMSME-LBPRGKRZSA-N 1 0 284.356 1.414 20 10 CDCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001580570333 1172470999 /nfs/dbraw/zinc/47/09/99/1172470999.db2.gz YYAWFRQUDUCWGS-MRXNPFEDSA-N 1 0 290.363 1.242 20 10 CDCDRO COc1ccc(C[N@@H+]2CCCN(C)CC2)c(O)c1 ZINC000211487083 1175782666 /nfs/dbraw/zinc/78/26/66/1175782666.db2.gz UHILDUIARNVJMT-UHFFFAOYSA-N 1 0 250.342 1.538 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c(O)c1 ZINC000876766757 1165911176 /nfs/dbraw/zinc/91/11/76/1165911176.db2.gz RDRJHVIXNSTCGY-LBPRGKRZSA-N 1 0 262.309 1.337 20 10 CDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877424332 1166034328 /nfs/dbraw/zinc/03/43/28/1166034328.db2.gz JAWMVDVEXPXNBG-GDBMZVCRSA-N 1 0 295.379 1.611 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000877587746 1166063817 /nfs/dbraw/zinc/06/38/17/1166063817.db2.gz HMZBKSPOSKAZRM-GFCCVEGCSA-N 1 0 262.353 1.611 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846137842 796498555 /nfs/dbraw/zinc/49/85/55/796498555.db2.gz RJMDTIVJGKJNSU-VHSXEESVSA-N 1 0 266.341 1.576 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCO[C@H]2CCOC2)cc1C ZINC000922938940 796567885 /nfs/dbraw/zinc/56/78/85/796567885.db2.gz YFVXUROCDXQUPY-AWEZNQCLSA-N 1 0 265.353 1.904 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000126499818 796599590 /nfs/dbraw/zinc/59/95/90/796599590.db2.gz VQRZPFVJIZNQPR-VHSXEESVSA-N 1 0 264.325 1.310 20 10 CDCDRO C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882426 796664574 /nfs/dbraw/zinc/66/45/74/796664574.db2.gz YXMGYFDCIBHHBC-NUYPLMSZSA-N 1 0 290.411 1.945 20 10 CDCDRO COc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(O)c1 ZINC000794391062 796695204 /nfs/dbraw/zinc/69/52/04/796695204.db2.gz UDGQBFWWLXPFDH-RYUDHWBXSA-N 1 0 292.379 1.890 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000720951488 796752809 /nfs/dbraw/zinc/75/28/09/796752809.db2.gz OLORWPILAOAQMF-DKTWLAJQSA-N 1 0 271.744 1.915 20 10 CDCDRO COCCNCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000817965456 796836596 /nfs/dbraw/zinc/83/65/96/796836596.db2.gz VCQOOBGRSRGIIO-ZDUSSCGKSA-N 1 0 266.385 1.896 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936982 796932687 /nfs/dbraw/zinc/93/26/87/796932687.db2.gz PNELAJCVQFJGON-LBPRGKRZSA-N 1 0 263.385 1.675 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([NH+](C)C)CC2)c1 ZINC000830541089 796942225 /nfs/dbraw/zinc/94/22/25/796942225.db2.gz SAVWEVOPYJAUDB-SNVBAGLBSA-N 1 0 278.352 1.672 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000871604678 797179437 /nfs/dbraw/zinc/17/94/37/797179437.db2.gz HAVRANOOICBHGG-UHFFFAOYSA-N 1 0 291.395 1.874 20 10 CDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941925 797240461 /nfs/dbraw/zinc/24/04/61/797240461.db2.gz UGFWSRHRFJIXQM-UHFFFAOYSA-N 1 0 265.357 1.252 20 10 CDCDRO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2O)CC1 ZINC000825275548 797282664 /nfs/dbraw/zinc/28/26/64/797282664.db2.gz SGHFMPQFEFNTKZ-UHFFFAOYSA-N 1 0 291.439 1.898 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]21 ZINC000834307660 797308587 /nfs/dbraw/zinc/30/85/87/797308587.db2.gz DKTVZJFVGNZZRZ-SCZZXKLOSA-N 1 0 280.299 1.013 20 10 CDCDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230153842 797322177 /nfs/dbraw/zinc/32/21/77/797322177.db2.gz XXXHQIKWNHYHDA-LKFCYVNXSA-N 1 0 265.309 1.778 20 10 CDCDRO CCN(CC)c1ccc(CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925479755 797351984 /nfs/dbraw/zinc/35/19/84/797351984.db2.gz JVSYFUBNEJMUHI-HNNXBMFYSA-N 1 0 277.412 1.611 20 10 CDCDRO OC1CCN(c2ccc(C[N@@H+]3CCCOCC3)cc2)CC1 ZINC000876618273 797361885 /nfs/dbraw/zinc/36/18/85/797361885.db2.gz OZPVXLGBJBAYNK-UHFFFAOYSA-N 1 0 290.407 1.870 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000794672465 797382617 /nfs/dbraw/zinc/38/26/17/797382617.db2.gz LAHJRNSLYOHTBY-GOEBONIOSA-N 1 0 293.363 1.555 20 10 CDCDRO O=C1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CN1C1CC1 ZINC000846075501 797455087 /nfs/dbraw/zinc/45/50/87/797455087.db2.gz PLFZXYKSMNSIQF-CYBMUJFWSA-N 1 0 286.375 1.722 20 10 CDCDRO Cc1cc(Br)cc(CN2CC[C@@H]([NH3+])C2)c1O ZINC000843045569 797520068 /nfs/dbraw/zinc/52/00/68/797520068.db2.gz VEQVYXYJJUITQL-LLVKDONJSA-N 1 0 285.185 1.996 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000846139530 797539998 /nfs/dbraw/zinc/53/99/98/797539998.db2.gz UVMMOBUQUBIDNN-CMPLNLGQSA-N 1 0 278.352 1.720 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)C[NH3+])C2)cc1 ZINC000818613590 797664932 /nfs/dbraw/zinc/66/49/32/797664932.db2.gz UMADWTCFPOJPLW-CHWSQXEVSA-N 1 0 291.395 1.233 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841653869 797802053 /nfs/dbraw/zinc/80/20/53/797802053.db2.gz KJUHMQBVJOXHLI-JSGCOSHPSA-N 1 0 290.411 1.631 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC(=O)NCC(F)(F)F ZINC000876992376 797806914 /nfs/dbraw/zinc/80/69/14/797806914.db2.gz CDYBEMXCUJYHEI-UHFFFAOYSA-N 1 0 276.258 1.469 20 10 CDCDRO C[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC(=O)N1 ZINC000922170628 797807012 /nfs/dbraw/zinc/80/70/12/797807012.db2.gz SVXODXVQEVJZJW-INIZCTEOSA-N 1 0 274.364 1.770 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000794369699 797811641 /nfs/dbraw/zinc/81/16/41/797811641.db2.gz JXMFNNVRHYDCFA-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000842632337 797818968 /nfs/dbraw/zinc/81/89/68/797818968.db2.gz JWNNLSLDLIBILV-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843355824 797837375 /nfs/dbraw/zinc/83/73/75/797837375.db2.gz KAIJUPWUNOOGLS-YMTOWFKASA-N 1 0 296.342 1.282 20 10 CDCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3c(O)cccc3Br)C[C@H]12 ZINC000862376370 797867552 /nfs/dbraw/zinc/86/75/52/797867552.db2.gz XTHXBXJWRIOSQY-JZYVYDRUSA-N 1 0 298.180 1.825 20 10 CDCDRO CCn1cc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841041811 797890464 /nfs/dbraw/zinc/89/04/64/797890464.db2.gz FPWOUJYVWBHUGX-INIZCTEOSA-N 1 0 287.411 1.759 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)C(C)C)c1 ZINC000182222200 797982432 /nfs/dbraw/zinc/98/24/32/797982432.db2.gz FLNRKZNMEPPXHV-CQSZACIVSA-N 1 0 253.342 1.897 20 10 CDCDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N)cc1 ZINC001120677811 912324018 /nfs/dbraw/zinc/32/40/18/912324018.db2.gz XIPXWTTXWMINEX-IUODEOHRSA-N 1 0 290.411 1.750 20 10 CDCDRO COc1cc(CN2CCC[C@@H]([NH3+])CC2)cc(O)c1O ZINC001205095024 913391601 /nfs/dbraw/zinc/39/16/01/913391601.db2.gz SWOZUGUURNOYCY-LLVKDONJSA-N 1 0 266.341 1.420 20 10 CDCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000069141210 895177784 /nfs/dbraw/zinc/17/77/84/895177784.db2.gz MTYYWPBVLRCXNQ-CYBMUJFWSA-N 1 0 281.377 1.288 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH2+][C@@H]3C[C@@H]32)c(Cl)c1 ZINC001235293191 914134171 /nfs/dbraw/zinc/13/41/71/914134171.db2.gz QMPBBIGJFMKOMM-KGLIPLIRSA-N 1 0 265.788 1.952 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001140850377 898656641 /nfs/dbraw/zinc/65/66/41/898656641.db2.gz KCIFNGDLSZVLRR-CQSZACIVSA-N 1 0 264.369 1.805 20 10 CDCDRO CCOCC[NH+](CCOCC)Cc1cc(O)ccc1O ZINC001141159136 899830439 /nfs/dbraw/zinc/83/04/39/899830439.db2.gz AAMJVNCIBBSZJD-UHFFFAOYSA-N 1 0 283.368 1.973 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(Cl)c1 ZINC001235995608 914514820 /nfs/dbraw/zinc/51/48/20/914514820.db2.gz VKGAVGHBMSSVBK-XPTSAGLGSA-N 1 0 282.771 1.977 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001270933475 905460856 /nfs/dbraw/zinc/46/08/56/905460856.db2.gz WPCXOJGSPIMSQI-PQMVAPIISA-N 1 0 299.418 1.928 20 10 CDCDRO Cn1cc([C@H](CO)[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921939321 921162099 /nfs/dbraw/zinc/16/20/99/921162099.db2.gz XSVAYQJNUQKWFX-HNNXBMFYSA-N 1 0 287.363 1.568 20 10 CDCDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CO1 ZINC001172266218 911485881 /nfs/dbraw/zinc/48/58/81/911485881.db2.gz HYTPKGZNOMCXCG-MFKMUULPSA-N 1 0 267.325 1.288 20 10 CDCDRO C[C@@H](O)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000227956479 911814051 /nfs/dbraw/zinc/81/40/51/911814051.db2.gz GINWDAMRDWZGLC-CQSZACIVSA-N 1 0 278.396 1.774 20 10 CDCDRO CCCNC(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921489572 914936989 /nfs/dbraw/zinc/93/69/89/914936989.db2.gz LGTPRKVORFEBJF-UHFFFAOYSA-N 1 0 262.353 1.627 20 10 CDCDRO O=C(NCC[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921483080 914939311 /nfs/dbraw/zinc/93/93/11/914939311.db2.gz CNOAHEZCZWMWKJ-UHFFFAOYSA-N 1 0 274.364 1.627 20 10 CDCDRO COc1cc(C)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001236579987 915690480 /nfs/dbraw/zinc/69/04/80/915690480.db2.gz POYXNYAMWAZHSH-TXEJJXNPSA-N 1 0 264.369 1.891 20 10 CDCDRO Oc1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(O)c1 ZINC001204279260 916615339 /nfs/dbraw/zinc/61/53/39/916615339.db2.gz UCFJSSILKVZCKZ-IKARSPCKSA-N 1 0 261.321 1.707 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001206432142 916619371 /nfs/dbraw/zinc/61/93/71/916619371.db2.gz BHMWQCSULOLMKN-CHWSQXEVSA-N 1 0 281.375 1.632 20 10 CDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001206431650 916622542 /nfs/dbraw/zinc/62/25/42/916622542.db2.gz AKWJKLTZYJSSPE-BDAKNGLRSA-N 1 0 274.723 1.622 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000828667291 936382443 /nfs/dbraw/zinc/38/24/43/936382443.db2.gz PBTNKHQEHXDZKB-ZWNOBZJWSA-N 1 0 280.368 1.951 20 10 CDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000831094977 936491573 /nfs/dbraw/zinc/49/15/73/936491573.db2.gz TXIZXPMJBQJFRN-NWDGAFQWSA-N 1 0 278.400 1.678 20 10 CDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000831117409 936492629 /nfs/dbraw/zinc/49/26/29/936492629.db2.gz VXRQKRQREJXROY-MNOVXSKESA-N 1 0 296.390 1.817 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827141580 936494379 /nfs/dbraw/zinc/49/43/79/936494379.db2.gz UVTMFRYBEVQSLH-YPMHNXCESA-N 1 0 290.363 1.501 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1COC1 ZINC001138499115 936542821 /nfs/dbraw/zinc/54/28/21/936542821.db2.gz XRYGNOFFRKZEPY-UHFFFAOYSA-N 1 0 276.380 1.601 20 10 CDCDRO CC[N@H+](Cc1cccc(OC)c1O)C1CN(C)C1 ZINC001203599598 919309592 /nfs/dbraw/zinc/30/95/92/919309592.db2.gz JKKWWXCUFGCUNU-UHFFFAOYSA-N 1 0 250.342 1.537 20 10 CDCDRO CCC(=O)NC1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627456 919780169 /nfs/dbraw/zinc/78/01/69/919780169.db2.gz FODWCJOTNVWPFZ-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1cc(CN2CC=CC2)cc(C[NH+](C)C)c1O ZINC001139252956 936611836 /nfs/dbraw/zinc/61/18/36/936611836.db2.gz GVCIQWXDWSUCHX-UHFFFAOYSA-N 1 0 262.353 1.834 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCN(C=O)CC2)c1O ZINC000827877418 936612062 /nfs/dbraw/zinc/61/20/62/936612062.db2.gz MZDGMDWDSRZKQG-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000827901513 936613298 /nfs/dbraw/zinc/61/32/98/936613298.db2.gz OUYZXCBDIXKRIS-JQWIXIFHSA-N 1 0 279.359 1.506 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CC4(CCO4)C3)cc2)CC1 ZINC001139412322 936618295 /nfs/dbraw/zinc/61/82/95/936618295.db2.gz GAKVQNDZNFCXBE-UHFFFAOYSA-N 1 0 287.407 1.413 20 10 CDCDRO CCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827937051 936615541 /nfs/dbraw/zinc/61/55/41/936615541.db2.gz JDQLSMAAFFDMBS-LLVKDONJSA-N 1 0 250.342 1.911 20 10 CDCDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(O)c1O ZINC000387122383 936637097 /nfs/dbraw/zinc/63/70/97/936637097.db2.gz KPLQOHCFJPSDNG-UHFFFAOYSA-N 1 0 280.368 1.948 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000391527332 936659068 /nfs/dbraw/zinc/65/90/68/936659068.db2.gz FMYMCCZVBXXSIV-RYUDHWBXSA-N 1 0 260.337 1.590 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000391601849 936659236 /nfs/dbraw/zinc/65/92/36/936659236.db2.gz JZIDJKZCSZKRHZ-LLVKDONJSA-N 1 0 252.289 1.242 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1O ZINC001140182204 936684902 /nfs/dbraw/zinc/68/49/02/936684902.db2.gz KIDCEHUHHFGHFY-GFCCVEGCSA-N 1 0 276.336 1.645 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC(N(C)[C@@H]3CCOC3)C2)c1O ZINC001140182699 936684927 /nfs/dbraw/zinc/68/49/27/936684927.db2.gz XRCHKLSPCIGNKZ-CQSZACIVSA-N 1 0 290.407 1.914 20 10 CDCDRO C[NH2+]CCC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000834423254 936687391 /nfs/dbraw/zinc/68/73/91/936687391.db2.gz DCHQXSFDSDAQHU-UHFFFAOYSA-N 1 0 275.396 1.659 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CC1CC3(C1)OCCO3)OCO2 ZINC000922798776 921821666 /nfs/dbraw/zinc/82/16/66/921821666.db2.gz MQNDRNMGYWVGMP-UHFFFAOYSA-N 1 0 293.319 1.364 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1 ZINC000834908677 936709914 /nfs/dbraw/zinc/70/99/14/936709914.db2.gz LDNUWDMWHKRYBQ-BONVTDFDSA-N 1 0 278.352 1.720 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140462922 936712166 /nfs/dbraw/zinc/71/21/66/936712166.db2.gz ODZMUEUENZQAJO-MFKMUULPSA-N 1 0 271.744 1.221 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000775368804 921904815 /nfs/dbraw/zinc/90/48/15/921904815.db2.gz GHTPJORSRMOWBH-OLZOCXBDSA-N 1 0 294.395 1.508 20 10 CDCDRO OC1CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140662348 936736718 /nfs/dbraw/zinc/73/67/18/936736718.db2.gz PMUPBQZQXOEDLU-UHFFFAOYSA-N 1 0 294.370 1.619 20 10 CDCDRO CCC(=O)NC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140745399 936748792 /nfs/dbraw/zinc/74/87/92/936748792.db2.gz IQNQINSCDJCJBN-UHFFFAOYSA-N 1 0 292.379 1.897 20 10 CDCDRO CCN(CC)c1ccc(CN2CC([NH+](C)C)C2)c(O)c1 ZINC001140850247 936764363 /nfs/dbraw/zinc/76/43/63/936764363.db2.gz HXSABFXXNWWZCL-UHFFFAOYSA-N 1 0 277.412 1.984 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000689556029 936767253 /nfs/dbraw/zinc/76/72/53/936767253.db2.gz ZLOHOGFBUTYGLC-UHFFFAOYSA-N 1 0 272.732 1.833 20 10 CDCDRO COc1cc(O)c(C[NH+]2CCC(O)CC2)c(OC)c1 ZINC001141031491 936795121 /nfs/dbraw/zinc/79/51/21/936795121.db2.gz GZHHOAHHDFDMTJ-UHFFFAOYSA-N 1 0 267.325 1.366 20 10 CDCDRO CC[N@H+](CCOC)Cc1c(O)cc(OC)cc1OC ZINC001141031284 936795234 /nfs/dbraw/zinc/79/52/34/936795234.db2.gz BIYPBHHZIQUQKQ-UHFFFAOYSA-N 1 0 269.341 1.878 20 10 CDCDRO COc1cc(O)c(CN(C)CCC[NH+](C)C)c(OC)c1 ZINC001141032135 936796036 /nfs/dbraw/zinc/79/60/36/936796036.db2.gz UGOUTEAXYJWAFW-UHFFFAOYSA-N 1 0 282.384 1.793 20 10 CDCDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc(O)c1O ZINC000836947782 936812591 /nfs/dbraw/zinc/81/25/91/936812591.db2.gz LVHPQANLTMZZRP-NSHDSACASA-N 1 0 278.352 1.654 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCC[C@@H]1O ZINC001141156514 936821453 /nfs/dbraw/zinc/82/14/53/936821453.db2.gz MJHLNUHKCOWRNR-GWCFXTLKSA-N 1 0 251.326 1.691 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C2(CO)CC2)c1 ZINC000710200024 923239573 /nfs/dbraw/zinc/23/95/73/923239573.db2.gz LDUKFYPHBBFFOA-SNVBAGLBSA-N 1 0 251.326 1.651 20 10 CDCDRO CN(CCC[NH+](C)C)Cc1ccc2c(c1)OCCN2C ZINC001141139513 936818781 /nfs/dbraw/zinc/81/87/81/936818781.db2.gz VYEDGOBZNVZUTC-UHFFFAOYSA-N 1 0 277.412 1.899 20 10 CDCDRO [NH3+]CCN(CCO)c1ccc(O[C@@H]2CCCCO2)cc1 ZINC001163837219 924303666 /nfs/dbraw/zinc/30/36/66/924303666.db2.gz VJXLGMGPFJLKJM-OAHLLOKOSA-N 1 0 280.368 1.349 20 10 CDCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C)[N@H+]1C ZINC000840090218 936937322 /nfs/dbraw/zinc/93/73/22/936937322.db2.gz NIKDBIBRMAUZCL-JRPNMDOOSA-N 1 0 292.379 1.342 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c1 ZINC000840804106 936961734 /nfs/dbraw/zinc/96/17/34/936961734.db2.gz ZXYUQIVVPWBHJC-CHWSQXEVSA-N 1 0 290.367 1.312 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cn2ccnn2)c(O)c1C ZINC000840804312 936961902 /nfs/dbraw/zinc/96/19/02/936961902.db2.gz CUXHRDALANEPDQ-CHWSQXEVSA-N 1 0 290.367 1.312 20 10 CDCDRO CCCC[C@@H](CN)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841029231 936972106 /nfs/dbraw/zinc/97/21/06/936972106.db2.gz MVKZDSKSPMRWFS-NSHDSACASA-N 1 0 266.341 1.728 20 10 CDCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(O)c(O)c2)C1 ZINC001205807060 925171419 /nfs/dbraw/zinc/17/14/19/925171419.db2.gz XQFABYXRLXMOMC-ZYHUDNBSSA-N 1 0 250.342 1.657 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000841965920 937025847 /nfs/dbraw/zinc/02/58/47/937025847.db2.gz LRYOZUPHXFRYQQ-NOZJJQNGSA-N 1 0 293.367 1.498 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cn2cncn2)c1 ZINC000776070300 926032892 /nfs/dbraw/zinc/03/28/92/926032892.db2.gz JTPYSZHCEYNCDL-SNVBAGLBSA-N 1 0 262.313 1.171 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000843126590 937115868 /nfs/dbraw/zinc/11/58/68/937115868.db2.gz KYOKGEFZRDFVRA-YPMHNXCESA-N 1 0 292.379 1.593 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2COC[C@H]2OC)c1O ZINC000843427512 937148187 /nfs/dbraw/zinc/14/81/87/937148187.db2.gz GDPBOLZNXUHSDG-ZYHUDNBSSA-N 1 0 287.743 1.558 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH3+] ZINC000843485587 937155250 /nfs/dbraw/zinc/15/52/50/937155250.db2.gz MPUWLMMDPXNZIP-LBPRGKRZSA-N 1 0 263.385 1.837 20 10 CDCDRO CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109770064 927522009 /nfs/dbraw/zinc/52/20/09/927522009.db2.gz QMTBCUTZOPJYQU-JTQLQIEISA-N 1 0 279.340 1.058 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001150120361 937219383 /nfs/dbraw/zinc/21/93/83/937219383.db2.gz WPWMTYBKTGPPST-MFKMUULPSA-N 1 0 290.363 1.239 20 10 CDCDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1=CC(=O)CS1 ZINC000854649843 928255554 /nfs/dbraw/zinc/25/55/54/928255554.db2.gz HKWSWQCSWKZNKN-SCZZXKLOSA-N 1 0 254.355 1.618 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1F ZINC000782388593 937250368 /nfs/dbraw/zinc/25/03/68/937250368.db2.gz ZTPDOMNTTQQCGB-OAHLLOKOSA-N 1 0 296.386 1.769 20 10 CDCDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1c(F)ccc(O)c1O ZINC000857283029 928689761 /nfs/dbraw/zinc/68/97/61/928689761.db2.gz NXKWLOHBIYEVLN-UHFFFAOYSA-N 1 0 296.342 1.841 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000858338642 928842938 /nfs/dbraw/zinc/84/29/38/928842938.db2.gz JHNBCRCPHMQZHL-KRWDZBQOSA-N 1 0 291.439 1.689 20 10 CDCDRO C[S@](=O)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000116918241 929056111 /nfs/dbraw/zinc/05/61/11/929056111.db2.gz HTNWMTKMNMWEDA-QGZVFWFLSA-N 1 0 253.367 1.480 20 10 CDCDRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1ccccc1O ZINC001151899528 937316629 /nfs/dbraw/zinc/31/66/29/937316629.db2.gz DQJGARVNBAXGEQ-NJZAAPMLSA-N 1 0 292.379 1.415 20 10 CDCDRO CCc1cccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000862519013 929421520 /nfs/dbraw/zinc/42/15/20/929421520.db2.gz OWGXEKAESDCFQF-CALCHBBNSA-N 1 0 293.407 1.767 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CC(N)=O)c(O)c1 ZINC000788630082 929569861 /nfs/dbraw/zinc/56/98/61/929569861.db2.gz FKSUMLMDBRQWDW-MNOVXSKESA-N 1 0 250.342 1.924 20 10 CDCDRO CC[C@@H]([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270810 929804931 /nfs/dbraw/zinc/80/49/31/929804931.db2.gz AFIFCUUBWUTEEL-CYBMUJFWSA-N 1 0 259.357 1.802 20 10 CDCDRO CN(Cc1cc2c(cc1O)OCO2)C[C@@H]1CCC[N@@H+]1C ZINC000211556616 929823758 /nfs/dbraw/zinc/82/37/58/929823758.db2.gz NUWQGYRMCOXWBB-LBPRGKRZSA-N 1 0 278.352 1.647 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[C@@H]3CC[NH2+]C3)ccc21 ZINC000130586898 930110800 /nfs/dbraw/zinc/11/08/00/930110800.db2.gz HQWOBNNGLWHRGC-AWEZNQCLSA-N 1 0 287.407 1.685 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)CCOCCO)c1 ZINC000883350565 930187322 /nfs/dbraw/zinc/18/73/22/930187322.db2.gz JDJTXJUBHRRROX-CQSZACIVSA-N 1 0 296.411 1.292 20 10 CDCDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1O ZINC000134227397 930524280 /nfs/dbraw/zinc/52/42/80/930524280.db2.gz ZNEFHCICFLLDHB-CYBMUJFWSA-N 1 0 253.342 1.515 20 10 CDCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000817940122 930637645 /nfs/dbraw/zinc/63/76/45/930637645.db2.gz FJZPVDAQUZGCIC-WFASDCNBSA-N 1 0 287.411 1.837 20 10 CDCDRO C[C@@H](NC1C[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817955115 930644282 /nfs/dbraw/zinc/64/42/82/930644282.db2.gz QNDKJKMSEGXRNQ-LLVKDONJSA-N 1 0 279.359 1.285 20 10 CDCDRO C[C@H](C[C@@H]1COCCN1)[NH2+]CCc1ccc(N)cc1 ZINC000817958248 930645808 /nfs/dbraw/zinc/64/58/08/930645808.db2.gz UVWWUYAWMSYKMN-IUODEOHRSA-N 1 0 263.385 1.168 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1cc2c(cc1O)CCCC2 ZINC000817982353 930658943 /nfs/dbraw/zinc/65/89/43/930658943.db2.gz CLUCYAHHTOEGLO-WFASDCNBSA-N 1 0 290.407 1.910 20 10 CDCDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000135728610 930672193 /nfs/dbraw/zinc/67/21/93/930672193.db2.gz JPMRXPOWCIBBHP-NSHDSACASA-N 1 0 280.368 1.920 20 10 CDCDRO CC[C@@H]1CN(C)CCN1C(=O)c1cccc(O)c1O ZINC000818972850 930748333 /nfs/dbraw/zinc/74/83/33/930748333.db2.gz ZPVCJIXUHVDAJR-SNVBAGLBSA-N 1 0 264.325 1.264 20 10 CDCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(C)C ZINC000824683506 931478957 /nfs/dbraw/zinc/47/89/57/931478957.db2.gz MUGXYDRUTSLDOK-HNNXBMFYSA-N 1 0 294.395 1.993 20 10 CDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000825278640 931498712 /nfs/dbraw/zinc/49/87/12/931498712.db2.gz HCKLLXASNIFUNW-KCJUWKMLSA-N 1 0 268.744 1.789 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001144503741 931863928 /nfs/dbraw/zinc/86/39/28/931863928.db2.gz BLGBMHAQCAMPCK-ZJUUUORDSA-N 1 0 265.309 1.272 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144508943 931874555 /nfs/dbraw/zinc/87/45/55/931874555.db2.gz DYSBSZVAKAZLTR-ZDUSSCGKSA-N 1 0 253.298 1.150 20 10 CDCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1=O ZINC000846095594 931972803 /nfs/dbraw/zinc/97/28/03/931972803.db2.gz BNEJDYXBYWYZBV-RYUDHWBXSA-N 1 0 292.379 1.920 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167293 931983769 /nfs/dbraw/zinc/98/37/69/931983769.db2.gz WNAGHVYNXYHMAV-MNOVXSKESA-N 1 0 280.368 1.918 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000846137634 931985305 /nfs/dbraw/zinc/98/53/05/931985305.db2.gz VGFXOSNGYDPMBP-GHMZBOCLSA-N 1 0 299.392 1.486 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846212963 932000604 /nfs/dbraw/zinc/00/06/04/932000604.db2.gz ORZZITQUSHCFJE-MLGOLLRUSA-N 1 0 295.379 1.983 20 10 CDCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(F)c(F)cc1O ZINC001275773163 932014238 /nfs/dbraw/zinc/01/42/38/932014238.db2.gz GSRSMJFSCCLYRD-PHIMTYICSA-N 1 0 284.306 1.185 20 10 CDCDRO COc1c(O)c(CN2CC[C@@H]([NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000846702188 932115596 /nfs/dbraw/zinc/11/55/96/932115596.db2.gz GGRBYYJHYJWBIK-GXSJLCMTSA-N 1 0 295.339 1.621 20 10 CDCDRO COc1c(O)c(CN2CC[C@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000846702190 932116168 /nfs/dbraw/zinc/11/61/68/932116168.db2.gz GGRBYYJHYJWBIK-KOLCDFICSA-N 1 0 295.339 1.621 20 10 CDCDRO CC[NH+]1CCC(C(=O)NCc2ccccc2O)CC1 ZINC001146787407 932314663 /nfs/dbraw/zinc/31/46/63/932314663.db2.gz SUMFPACJGLFRTP-UHFFFAOYSA-N 1 0 262.353 1.740 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000191490445 934566900 /nfs/dbraw/zinc/56/69/00/934566900.db2.gz BWUPCMIMHFNLOZ-UHFFFAOYSA-N 1 0 261.369 1.640 20 10 CDCDRO O=C(NCc1ccccc1O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000828015225 937782000 /nfs/dbraw/zinc/78/20/00/937782000.db2.gz BBDZKLUURBWHKI-SNVBAGLBSA-N 1 0 286.335 1.122 20 10 CDCDRO CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000795748609 934927169 /nfs/dbraw/zinc/92/71/69/934927169.db2.gz DAKNYLGHUHZPMR-RNCFNFMXSA-N 1 0 267.325 1.285 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001203562347 939693571 /nfs/dbraw/zinc/69/35/71/939693571.db2.gz IVKJCZSCUFFOFZ-LSDHHAIUSA-N 1 0 294.370 1.637 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1O ZINC001203589001 939694870 /nfs/dbraw/zinc/69/48/70/939694870.db2.gz AOJLCIHXKLIOLY-CYBMUJFWSA-N 1 0 293.363 1.517 20 10 CDCDRO COc1ccc(C[N@H+]2CCc3nccn3CC2)c(O)c1 ZINC001203629222 939697965 /nfs/dbraw/zinc/69/79/65/939697965.db2.gz TUAJOOHGCRVDLK-UHFFFAOYSA-N 1 0 273.336 1.656 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OC)cc3O)C[C@@H]21 ZINC001203629389 939697996 /nfs/dbraw/zinc/69/79/96/939697996.db2.gz ZVJOAEOZTRBDGQ-IMRBUKKESA-N 1 0 277.320 1.252 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203634548 939698907 /nfs/dbraw/zinc/69/89/07/939698907.db2.gz LKEKVKIXOSCOHL-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCC[C@@H]1O ZINC001203875534 939710536 /nfs/dbraw/zinc/71/05/36/939710536.db2.gz PIQZJYLPWQQKCA-PWSUYJOCSA-N 1 0 251.326 1.691 20 10 CDCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203881341 939711630 /nfs/dbraw/zinc/71/16/30/939711630.db2.gz PEMJRNDISMXCNF-ZDUSSCGKSA-N 1 0 262.353 1.766 20 10 CDCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)O1 ZINC001204281619 939752315 /nfs/dbraw/zinc/75/23/15/939752315.db2.gz XGLBCYWWFONJLT-HNNXBMFYSA-N 1 0 277.320 1.769 20 10 CDCDRO CN(C)C(=O)C1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204322933 939755899 /nfs/dbraw/zinc/75/58/99/939755899.db2.gz WAJKWTNFQPECDF-UHFFFAOYSA-N 1 0 287.407 1.807 20 10 CDCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)ccc(F)c1F ZINC001276470939 939770337 /nfs/dbraw/zinc/77/03/37/939770337.db2.gz UVBPPIFAGPZNHG-DTORHVGOSA-N 1 0 254.280 1.559 20 10 CDCDRO [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001205674044 939915272 /nfs/dbraw/zinc/91/52/72/939915272.db2.gz YBIYYNIKECYOTR-AWEZNQCLSA-N 1 0 268.332 1.207 20 10 CDCDRO COc1cc(CN2C[C@H]([NH3+])CC(F)(F)C2)cc(O)c1O ZINC001206117498 939982232 /nfs/dbraw/zinc/98/22/32/939982232.db2.gz PRCPDIFUWFNSNV-SECBINFHSA-N 1 0 288.294 1.275 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197910 939995830 /nfs/dbraw/zinc/99/58/30/939995830.db2.gz KILYULKKVOOJCZ-VHSXEESVSA-N 1 0 270.304 1.065 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1cc(F)ccc1O ZINC000405415315 940986663 /nfs/dbraw/zinc/98/66/63/940986663.db2.gz OQOXCVWDTMZINK-SNVBAGLBSA-N 1 0 266.316 1.804 20 10 CDCDRO O=c1cc2[nH]cnc(O[C@H]3CCCC[NH2+]C3)c-2cc1O ZINC001217977595 941033552 /nfs/dbraw/zinc/03/35/52/941033552.db2.gz WHHDURRAVUOKOZ-VIFPVBQESA-N 1 0 275.308 1.562 20 10 CDCDRO O=C(Nc1cn[nH]c1)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001277441107 942576226 /nfs/dbraw/zinc/57/62/26/942576226.db2.gz HFOUEAHWEMIBRZ-WBMJQRKESA-N 1 0 298.346 1.718 20 10 CDCDRO CCOc1cccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c1O ZINC001277454529 942613480 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COc1ccc(C[NH2+]C[C@H](O)C(C)C)c(O)c1OC ZINC001351998319 967052099 /nfs/dbraw/zinc/05/20/99/967052099.db2.gz RDKMXQGGEKAMFT-NSHDSACASA-N 1 0 269.341 1.516 20 10 CDCDRO C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2O)n1 ZINC000847589575 967722916 /nfs/dbraw/zinc/72/29/16/967722916.db2.gz KNBUTCQWPCCEAG-UHFFFAOYSA-N 1 0 288.351 1.080 20 10 CDCDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001353562126 968068656 /nfs/dbraw/zinc/06/86/56/968068656.db2.gz SYWNLJQGGWTCLR-IAGOWNOFSA-N 1 0 290.407 1.604 20 10 CDCDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cccc(CC)c2O)C1 ZINC000848898277 969342095 /nfs/dbraw/zinc/34/20/95/969342095.db2.gz SHLXMYJXQSIEDJ-CQSZACIVSA-N 1 0 291.395 1.848 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1 ZINC000848926284 969358485 /nfs/dbraw/zinc/35/84/85/969358485.db2.gz NZWZOKYJGOBGSX-NSHDSACASA-N 1 0 288.351 1.176 20 10 CDCDRO COc1ccc(CNC(=O)CC(C)(C)C[NH3+])c(O)c1 ZINC001357599845 969626934 /nfs/dbraw/zinc/62/69/34/969626934.db2.gz HQWGHMCYNAHUQR-UHFFFAOYSA-N 1 0 266.341 1.392 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(C)ccc1O ZINC000295041391 199315540 /nfs/dbraw/zinc/31/55/40/199315540.db2.gz MQMPANMLAXTFBL-GFCCVEGCSA-N 1 0 286.397 1.118 20 10 CDCDRO COC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179876230 357228448 /nfs/dbraw/zinc/22/84/48/357228448.db2.gz JZYDAHJTZLVOET-UHFFFAOYSA-N 1 0 267.300 1.916 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1O ZINC000179921677 357231150 /nfs/dbraw/zinc/23/11/50/357231150.db2.gz NWDFKKHZQUZYPA-KBPBESRZSA-N 1 0 274.364 1.944 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH2+][C@H]2C[C@H]21 ZINC001579617345 1172225698 /nfs/dbraw/zinc/22/56/98/1172225698.db2.gz NUAJHXFCDRVNCY-LSDHHAIUSA-N 1 0 288.395 1.317 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1O ZINC000188803127 357938937 /nfs/dbraw/zinc/93/89/37/357938937.db2.gz KBZISXDMIGMWOM-ZYHUDNBSSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1cccc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC000134175421 361527127 /nfs/dbraw/zinc/52/71/27/361527127.db2.gz FUBPWYXQPCAXAP-LBPRGKRZSA-N 1 0 250.342 1.537 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCOC2)c1O ZINC000135149831 361696761 /nfs/dbraw/zinc/69/67/61/361696761.db2.gz CGUNASALPADAIY-GFCCVEGCSA-N 1 0 267.300 1.955 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH3+])cc1F ZINC000167741464 364947754 /nfs/dbraw/zinc/94/77/54/364947754.db2.gz HZIQQARRVPDBGG-SNVBAGLBSA-N 1 0 267.348 1.635 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CC3(C1)CCOC3)OCO2 ZINC000294095375 370940324 /nfs/dbraw/zinc/94/03/24/370940324.db2.gz RTDRVOKCLSKRHR-UHFFFAOYSA-N 1 0 263.293 1.343 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1O ZINC000288031413 369388377 /nfs/dbraw/zinc/38/83/77/369388377.db2.gz NRMGRTDXGWKCLJ-NSHDSACASA-N 1 0 265.357 1.484 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000295185881 371142280 /nfs/dbraw/zinc/14/22/80/371142280.db2.gz IECRGFXIDHPBSN-ZDUSSCGKSA-N 1 0 286.379 1.956 20 10 CDCDRO OCCCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000295209898 378663985 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391263571 /nfs/dbraw/zinc/26/35/71/391263571.db2.gz RAXRWVOKSKHERS-JTQLQIEISA-N 1 0 264.325 1.098 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+](C)CC2)cc1OC ZINC000183369095 391263647 /nfs/dbraw/zinc/26/36/47/391263647.db2.gz DGBMJYLWEMBURO-UHFFFAOYSA-N 1 0 266.341 1.157 20 10 CDCDRO CC[N@H+](CCO)Cc1cc(OC)c(OC)cc1O ZINC000183468472 391265893 /nfs/dbraw/zinc/26/58/93/391265893.db2.gz PRXFANNDEOTBEX-UHFFFAOYSA-N 1 0 255.314 1.224 20 10 CDCDRO C[N@H+](CCNC(=O)c1cccc(O)c1O)C1CCCC1 ZINC000126409627 260351380 /nfs/dbraw/zinc/35/13/80/260351380.db2.gz GRBJRNRKJZDMEK-UHFFFAOYSA-N 1 0 278.352 1.702 20 10 CDCDRO COc1ccc(N2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000154406211 261091024 /nfs/dbraw/zinc/09/10/24/261091024.db2.gz HIFOAXBRCYDEMD-UHFFFAOYSA-N 1 0 286.379 1.714 20 10 CDCDRO O=C(CCC[NH2+]Cc1ccc2c(c1)CCO2)NC1CC1 ZINC000108097346 261384867 /nfs/dbraw/zinc/38/48/67/261384867.db2.gz CZNVHDBKNSZEDI-UHFFFAOYSA-N 1 0 274.364 1.770 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)CC[NH3+])cc1F ZINC000167744107 261407077 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ZINC000280321986 524636953 /nfs/dbraw/zinc/63/69/53/524636953.db2.gz QKIZMKUOZHDVNU-WFASDCNBSA-N 1 0 263.337 1.772 20 10 CDCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(F)ccc1O ZINC000130871929 524673428 /nfs/dbraw/zinc/67/34/28/524673428.db2.gz SDDNZXWSWPBPCH-VVVCHXIZSA-N 1 0 259.346 1.730 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000037154523 524756611 /nfs/dbraw/zinc/75/66/11/524756611.db2.gz DHVLGGQGTYDXJU-LLVKDONJSA-N 1 0 261.325 1.776 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280427689 524770298 /nfs/dbraw/zinc/77/02/98/524770298.db2.gz BORYMTDDPCPHBA-XQQFMLRXSA-N 1 0 295.379 1.696 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000279804866 525099407 /nfs/dbraw/zinc/09/94/07/525099407.db2.gz NXARSGGPCMPBCS-UHFFFAOYSA-N 1 0 295.404 1.678 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000279510998 525339574 /nfs/dbraw/zinc/33/95/74/525339574.db2.gz XGUCRTMVUZFBTO-AWEZNQCLSA-N 1 0 278.396 1.853 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291277232 525933683 /nfs/dbraw/zinc/93/36/83/525933683.db2.gz OHDVDQDUEVGVRJ-NSHDSACASA-N 1 0 287.306 1.850 20 10 CDCDRO O=C(NCc1ccccc1O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000299465134 526753950 /nfs/dbraw/zinc/75/39/50/526753950.db2.gz AYXBVOVEWWOQRK-GFCCVEGCSA-N 1 0 289.379 1.676 20 10 CDCDRO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000275354659 527471865 /nfs/dbraw/zinc/47/18/65/527471865.db2.gz AHLJXYRGMBIQGB-JSGCOSHPSA-N 1 0 291.326 1.885 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000262469432 527480498 /nfs/dbraw/zinc/48/04/98/527480498.db2.gz ZJBARWMJVKJEPY-IMJJTQAJSA-N 1 0 287.407 1.848 20 10 CDCDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(O)c1O ZINC000297222847 527525651 /nfs/dbraw/zinc/52/56/51/527525651.db2.gz QXMRZSTVTJAGQM-UHFFFAOYSA-N 1 0 290.363 1.845 20 10 CDCDRO OCC[N@H+](Cc1cc(F)ccc1O)C1CCOCC1 ZINC000276037089 527549720 /nfs/dbraw/zinc/54/97/20/527549720.db2.gz SDSAXGJHVOTNRW-UHFFFAOYSA-N 1 0 269.316 1.505 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1C ZINC000747811061 574508812 /nfs/dbraw/zinc/50/88/12/574508812.db2.gz JUJHUBKYKNSLHY-ZDUSSCGKSA-N 1 0 283.393 1.676 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732279457 575086413 /nfs/dbraw/zinc/08/64/13/575086413.db2.gz MGOXHXRBUJQUJR-SECBINFHSA-N 1 0 256.371 1.914 20 10 CDCDRO COc1ccc(O)c(CNC(=S)NCCC[NH+](C)C)c1 ZINC000733906569 575143362 /nfs/dbraw/zinc/14/33/62/575143362.db2.gz NCXGXOSNLHDFKJ-UHFFFAOYSA-N 1 0 297.424 1.317 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(OC)CCOC2)c1 ZINC000763480315 576739043 /nfs/dbraw/zinc/73/90/43/576739043.db2.gz LVZCPWKRTVCJLE-HNNXBMFYSA-N 1 0 281.352 1.686 20 10 CDCDRO CCOCC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000769785330 575384117 /nfs/dbraw/zinc/38/41/17/575384117.db2.gz AIJPVHBMQKCKLZ-NEPJUHHUSA-N 1 0 283.368 1.839 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000773800311 575839179 /nfs/dbraw/zinc/83/91/79/575839179.db2.gz LKLWDCMRUNEUKW-AWEZNQCLSA-N 1 0 297.424 1.006 20 10 CDCDRO COCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439451 576282425 /nfs/dbraw/zinc/28/24/25/576282425.db2.gz HQSIVMTXXQECGN-CYBMUJFWSA-N 1 0 267.325 1.286 20 10 CDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCCO1 ZINC000768447258 576283781 /nfs/dbraw/zinc/28/37/81/576283781.db2.gz NTSKLWFVPCOSOT-AWEZNQCLSA-N 1 0 293.363 1.819 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768446212 576284132 /nfs/dbraw/zinc/28/41/32/576284132.db2.gz LCXPKFKSIRWELT-HZMBPMFUSA-N 1 0 279.336 1.286 20 10 CDCDRO C[C@H](CNC(=O)C1=CC(=O)CS1)CN1CC[NH+](C)CC1 ZINC000748362937 576909029 /nfs/dbraw/zinc/90/90/29/576909029.db2.gz GPIZDAPKGLEXHB-LLVKDONJSA-N 1 0 297.424 1.067 20 10 CDCDRO C[NH+](C)CCCNC(=O)NCc1ccccc1O ZINC000748462831 576913833 /nfs/dbraw/zinc/91/38/33/576913833.db2.gz KCTCSIDQIXZNIJ-UHFFFAOYSA-N 1 0 251.330 1.143 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[NH+]2CCC2)cc1F ZINC000752661346 577118316 /nfs/dbraw/zinc/11/83/16/577118316.db2.gz SYKIWTGLYWGHAT-UHFFFAOYSA-N 1 0 294.374 1.397 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(O)c1O ZINC000753029429 577141215 /nfs/dbraw/zinc/14/12/15/577141215.db2.gz NRAQTGOFAMZGSR-NSHDSACASA-N 1 0 280.368 1.865 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(=O)C2(F)CC2)[NH+](C)C)cc1 ZINC000891246033 617391071 /nfs/dbraw/zinc/39/10/71/617391071.db2.gz LNBGMYXAMDPTSO-AWEZNQCLSA-N 1 0 293.386 1.974 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000892017585 617414022 /nfs/dbraw/zinc/41/40/22/617414022.db2.gz WDKDGOLEVIVMIC-QWRGUYRKSA-N 1 0 263.341 1.504 20 10 CDCDRO CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000892492602 617423436 /nfs/dbraw/zinc/42/34/36/617423436.db2.gz WMCKCZBKVPVZCH-ZDUSSCGKSA-N 1 0 291.395 1.970 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1O ZINC000892076688 617464531 /nfs/dbraw/zinc/46/45/31/617464531.db2.gz CKRLPSBNGQPUHL-DMDPSCGWSA-N 1 0 277.368 1.750 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H]1O ZINC000892242295 617572993 /nfs/dbraw/zinc/57/29/93/617572993.db2.gz PPCKTEROVREHOT-JQWIXIFHSA-N 1 0 281.352 1.612 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H]1O ZINC000892242296 617573205 /nfs/dbraw/zinc/57/32/05/617573205.db2.gz PPCKTEROVREHOT-PWSUYJOCSA-N 1 0 281.352 1.612 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)C1CC[NH+](C)CC1 ZINC000935945475 617596931 /nfs/dbraw/zinc/59/69/31/617596931.db2.gz YJGVLHGIQJMLIM-UHFFFAOYSA-N 1 0 297.395 1.836 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3=CCC3)cc2)CC1 ZINC000893607297 617655305 /nfs/dbraw/zinc/65/53/05/617655305.db2.gz FMYPWDIVBBMSND-UHFFFAOYSA-N 1 0 285.391 1.775 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000840974214 617931104 /nfs/dbraw/zinc/93/11/04/617931104.db2.gz AOXSEZKAMNXREE-UHFFFAOYSA-N 1 0 297.786 1.939 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCO2)c(O)c1OC ZINC000892432710 618194681 /nfs/dbraw/zinc/19/46/81/618194681.db2.gz UYQQFWFEPQEYSU-NSHDSACASA-N 1 0 267.325 1.678 20 10 CDCDRO C[N@H+](CCN1CCOCC1)Cc1cc(F)cc(F)c1[O-] ZINC000893994615 618235151 /nfs/dbraw/zinc/23/51/51/618235151.db2.gz AHEGWKQMQMUTCY-UHFFFAOYSA-N 1 0 286.322 1.434 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894273893 618396146 /nfs/dbraw/zinc/39/61/46/618396146.db2.gz RUTKHVMSBJHQGB-CQSZACIVSA-N 1 0 294.395 1.520 20 10 CDCDRO COC[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000879163434 618598784 /nfs/dbraw/zinc/59/87/84/618598784.db2.gz UFFJLCCJLIHMPH-HNNXBMFYSA-N 1 0 266.385 1.548 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000843058260 618691722 /nfs/dbraw/zinc/69/17/22/618691722.db2.gz QMMRJZHJKNIAMV-ABAIWWIYSA-N 1 0 281.375 1.440 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCSC[C@@H]2CO)c1O ZINC000877780610 618707257 /nfs/dbraw/zinc/70/72/57/618707257.db2.gz WHVMXXHKFDZHHC-ZDUSSCGKSA-N 1 0 267.394 1.864 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000894227466 618737897 /nfs/dbraw/zinc/73/78/97/618737897.db2.gz ZHIHQMMATHUMQT-ZDUSSCGKSA-N 1 0 295.379 1.852 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000894323924 618771695 /nfs/dbraw/zinc/77/16/95/618771695.db2.gz SHCRLCGCTYAPCM-GFCCVEGCSA-N 1 0 278.352 1.420 20 10 CDCDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894327073 618776245 /nfs/dbraw/zinc/77/62/45/618776245.db2.gz SWMBNKBHFLYPSW-OAHLLOKOSA-N 1 0 283.368 1.586 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)CC2CC2)c1O ZINC000894358153 618818435 /nfs/dbraw/zinc/81/84/35/618818435.db2.gz CIBKQTSFWMCVRQ-ZDUSSCGKSA-N 1 0 265.353 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C)c1O ZINC000894391089 618846258 /nfs/dbraw/zinc/84/62/58/618846258.db2.gz DXWSAKAHDAKYAP-LLVKDONJSA-N 1 0 252.358 1.749 20 10 CDCDRO COc1ccc(CN(C)CCC[NH+](C)C)c(O)c1OC ZINC000894449831 618888202 /nfs/dbraw/zinc/88/82/02/618888202.db2.gz QQFSEDANXCWYTM-UHFFFAOYSA-N 1 0 282.384 1.793 20 10 CDCDRO COc1ccc(CN(C)CC[NH+]2CCCC2)c(O)c1OC ZINC000894456585 618894779 /nfs/dbraw/zinc/89/47/79/618894779.db2.gz RUZARRWQUGEDHS-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cnn(CCF)c2)c1O ZINC000894457535 618895327 /nfs/dbraw/zinc/89/53/27/618895327.db2.gz DHHMLMJARSQOMQ-UHFFFAOYSA-N 1 0 279.315 1.857 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894461575 618899952 /nfs/dbraw/zinc/89/99/52/618899952.db2.gz IEYXKZIJCXDXJI-DZGCQCFKSA-N 1 0 295.379 1.993 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000894497618 618918131 /nfs/dbraw/zinc/91/81/31/618918131.db2.gz NDUUCJSCLHQEPR-YPMHNXCESA-N 1 0 265.353 1.912 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c(O)c1OC ZINC000894519519 618937363 /nfs/dbraw/zinc/93/73/63/618937363.db2.gz LIDAHXXDLRPLIB-SNVBAGLBSA-N 1 0 294.351 1.107 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000894610333 618980983 /nfs/dbraw/zinc/98/09/83/618980983.db2.gz AIKMPUYGNJUKRT-UHFFFAOYSA-N 1 0 288.351 1.835 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c1OC ZINC000894649037 619004717 /nfs/dbraw/zinc/00/47/17/619004717.db2.gz JTICHCWHRZBITE-GFCCVEGCSA-N 1 0 281.352 1.756 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H](C)O ZINC000894736273 619034208 /nfs/dbraw/zinc/03/42/08/619034208.db2.gz SPPRQYCDAVABON-KOLCDFICSA-N 1 0 269.341 1.658 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)c(O)c1OC ZINC000894866778 619109734 /nfs/dbraw/zinc/10/97/34/619109734.db2.gz BRIHMCDJIQVQEP-NSHDSACASA-N 1 0 294.351 1.025 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C[C@H]3COCO3)cc2)CC1 ZINC000894887308 619123042 /nfs/dbraw/zinc/12/30/42/619123042.db2.gz ZUGNYOZZYNOOBR-INIZCTEOSA-N 1 0 292.379 1.110 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000894905474 619137026 /nfs/dbraw/zinc/13/70/26/619137026.db2.gz FQDZBEFSNOXEJP-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c(O)c1OC ZINC000894974669 619172129 /nfs/dbraw/zinc/17/21/29/619172129.db2.gz JBBHBKSZUYKGNF-NEPJUHHUSA-N 1 0 295.379 1.860 20 10 CDCDRO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)c(O)c1OC ZINC000894980188 619176827 /nfs/dbraw/zinc/17/68/27/619176827.db2.gz FZKUDUIPBQUWKN-ZDUSSCGKSA-N 1 0 294.395 1.935 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000895045289 619221570 /nfs/dbraw/zinc/22/15/70/619221570.db2.gz HLXOYULYRFBSJA-UHFFFAOYSA-N 1 0 265.357 1.170 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)CCO)c1O ZINC000895149511 619359057 /nfs/dbraw/zinc/35/90/57/619359057.db2.gz JKRGMOPMLGUBFY-NSHDSACASA-N 1 0 253.342 1.912 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1O ZINC000895326101 619564025 /nfs/dbraw/zinc/56/40/25/619564025.db2.gz ZNBZJXNHNKRIPF-LBPRGKRZSA-N 1 0 298.770 1.668 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1C ZINC000895797276 619849935 /nfs/dbraw/zinc/84/99/35/619849935.db2.gz YVJMGBSHESBZOE-DOMZBBRYSA-N 1 0 296.436 1.584 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2COC[C@H]2C)c(O)c1OC ZINC000896733152 620216583 /nfs/dbraw/zinc/21/65/83/620216583.db2.gz NQDHMSUACGKVEQ-KOLCDFICSA-N 1 0 267.325 1.534 20 10 CDCDRO COc1cccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c1O ZINC000841935237 620591345 /nfs/dbraw/zinc/59/13/45/620591345.db2.gz GWUXALRYDYIRDA-NSHDSACASA-N 1 0 293.367 1.200 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3OCCO3)C1)OCO2 ZINC000905694215 626940941 /nfs/dbraw/zinc/94/09/41/626940941.db2.gz FJVMGHDARPEMMJ-JTQLQIEISA-N 1 0 293.319 1.316 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841084970 628056226 /nfs/dbraw/zinc/05/62/26/628056226.db2.gz RCKMOYHQUSGVMN-MWLCHTKSSA-N 1 0 295.339 1.526 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](CO)SC)c1O ZINC000152437180 631045989 /nfs/dbraw/zinc/04/59/89/631045989.db2.gz ALSVUEXSBVMSPG-BXKDBHETSA-N 1 0 271.382 1.603 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000152811404 631383935 /nfs/dbraw/zinc/38/39/35/631383935.db2.gz YGRZPBSVAZCYIS-CQSZACIVSA-N 1 0 262.353 1.719 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921764245 633277229 /nfs/dbraw/zinc/27/72/29/633277229.db2.gz HRLSFIWNTDYKNV-AWEZNQCLSA-N 1 0 265.353 1.499 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000693598958 1159131034 /nfs/dbraw/zinc/13/10/34/1159131034.db2.gz SNHGLLWRZITNEW-JOCQHMNTSA-N 1 0 261.369 1.448 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@H](O)C2CC2)c1O ZINC000809751487 1163085187 /nfs/dbraw/zinc/08/51/87/1163085187.db2.gz IGNPHKCXKLPNOT-LBPRGKRZSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000809785509 1163092199 /nfs/dbraw/zinc/09/21/99/1163092199.db2.gz VLASNEUFDCWKAR-JTQLQIEISA-N 1 0 264.325 1.098 20 10 CDCDRO C[C@H](NC(=S)NCC[NH+](C)C)c1ccccc1O ZINC000865269246 1164626427 /nfs/dbraw/zinc/62/64/27/1164626427.db2.gz FQHAZJJRNMANFB-JTQLQIEISA-N 1 0 267.398 1.479 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825750009 1165676306 /nfs/dbraw/zinc/67/63/06/1165676306.db2.gz ZOQOAEMSFPGCDU-JTQLQIEISA-N 1 0 259.733 1.451 20 10 CDCDRO COCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001153999133 1165821600 /nfs/dbraw/zinc/82/16/00/1165821600.db2.gz QPZQYTYIUJRXIA-UHFFFAOYSA-N 1 0 280.368 1.246 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000877008641 1165958626 /nfs/dbraw/zinc/95/86/26/1165958626.db2.gz OFTWLOMOJXHCMS-UHFFFAOYSA-N 1 0 286.397 1.118 20 10 CDCDRO COCC[C@]1([NH2+]Cc2ccc(C)cc2O)CCOC1 ZINC000877481364 1166046864 /nfs/dbraw/zinc/04/68/64/1166046864.db2.gz FNHSRVADIGAOOH-HNNXBMFYSA-N 1 0 265.353 1.986 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C(=O)NCCF ZINC000877500632 1166048053 /nfs/dbraw/zinc/04/80/53/1166048053.db2.gz WDYMOUPKEWBJSW-SNVBAGLBSA-N 1 0 254.305 1.264 20 10 CDCDRO Cc1ccc(C[NH2+]CCC2(O)CCOCC2)c(O)c1 ZINC000877515849 1166050256 /nfs/dbraw/zinc/05/02/56/1166050256.db2.gz RBIDVZMPUCRQQX-UHFFFAOYSA-N 1 0 265.353 1.722 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H](C)O)CC2)c(OC)c1 ZINC000879463302 1166354915 /nfs/dbraw/zinc/35/49/15/1166354915.db2.gz UZDHYMUTAGIZOG-GFCCVEGCSA-N 1 0 280.368 1.207 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1ccccc1O ZINC000879648564 1166391572 /nfs/dbraw/zinc/39/15/72/1166391572.db2.gz UBUWNNPALYJHBA-MNOVXSKESA-N 1 0 286.335 1.860 20 10 CDCDRO COc1ccc(N2CCN([C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1 ZINC000062948501 1169092402 /nfs/dbraw/zinc/09/24/02/1169092402.db2.gz MBGZAZZGGSHCSO-GOEBONIOSA-N 1 0 289.423 1.958 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580890484 1172566557 /nfs/dbraw/zinc/56/65/57/1172566557.db2.gz LWTRXCUTNNNDIG-PVAVHDDUSA-N 1 0 287.407 1.506 20 10 CDCDRO Oc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(O)c1 ZINC000136858304 1174839857 /nfs/dbraw/zinc/83/98/57/1174839857.db2.gz BLZDXUGWJSWIHV-UHFFFAOYSA-N 1 0 291.269 1.987 20 10 CDCDRO CC(C)[N@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000126386644 1175460804 /nfs/dbraw/zinc/46/08/04/1175460804.db2.gz GZIPSXLGLBGEMD-UHFFFAOYSA-N 1 0 252.314 1.168 20 10 CDCDRO COC[C@H](O)C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819379362 1164200353 /nfs/dbraw/zinc/20/03/53/1164200353.db2.gz GEXNWTBDJXOBGW-UKRRQHHQSA-N 1 0 294.395 1.118 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000873217659 1165524825 /nfs/dbraw/zinc/52/48/25/1165524825.db2.gz NYLAJEFUJLFASJ-TXEJJXNPSA-N 1 0 282.771 1.990 20 10 CDCDRO Cc1ccc(C[NH2+]C2(CCO)CCOCC2)c(O)c1 ZINC000876876440 1165931285 /nfs/dbraw/zinc/93/12/85/1165931285.db2.gz FDZDHBNLLHTVLJ-UHFFFAOYSA-N 1 0 265.353 1.722 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000844172628 812362769 /nfs/dbraw/zinc/36/27/69/812362769.db2.gz FLSZIOGSFPWJQP-ZSHCYNCHSA-N 1 0 287.407 1.614 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000809740461 813326009 /nfs/dbraw/zinc/32/60/09/813326009.db2.gz ZLCFNIDMVFCAJY-NSHDSACASA-N 1 0 275.352 1.855 20 10 CDCDRO CCn1ncnc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000793346947 805032662 /nfs/dbraw/zinc/03/26/62/805032662.db2.gz WCGMYHPMOSOQQI-UHFFFAOYSA-N 1 0 266.732 1.947 20 10 CDCDRO COc1ccccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000386002765 805045363 /nfs/dbraw/zinc/04/53/63/805045363.db2.gz UCCCHXATQNTYPZ-LBPRGKRZSA-N 1 0 250.342 1.562 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCO[C@H](C)C1 ZINC000840932846 805086010 /nfs/dbraw/zinc/08/60/10/805086010.db2.gz VBQFKCOIFPBHNX-OAHLLOKOSA-N 1 0 291.439 1.871 20 10 CDCDRO O=C1[C@H]([NH2+]Cc2ccccc2O)C[C@H]2CCCCN12 ZINC000835075696 805088193 /nfs/dbraw/zinc/08/81/93/805088193.db2.gz ZOUIASPWPMMKFI-CHWSQXEVSA-N 1 0 260.337 1.635 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2c(C)cccc2O)cn1 ZINC000877498723 805205421 /nfs/dbraw/zinc/20/54/21/805205421.db2.gz ULTRRXMWUQERHJ-UHFFFAOYSA-N 1 0 275.352 1.833 20 10 CDCDRO O[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922297050 805295321 /nfs/dbraw/zinc/29/53/21/805295321.db2.gz TWVAWRVEKBSTQQ-ZIAGYGMSSA-N 1 0 263.337 1.251 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000829764650 811075062 /nfs/dbraw/zinc/07/50/62/811075062.db2.gz RNTVVCHOALQBHN-RYUDHWBXSA-N 1 0 263.385 1.661 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000877477449 811308055 /nfs/dbraw/zinc/30/80/55/811308055.db2.gz FDNVPIMEXWXEEX-ADLMAVQZSA-N 1 0 267.394 1.901 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000862427732 811339327 /nfs/dbraw/zinc/33/93/27/811339327.db2.gz DTHJZBDGQHSXGH-MRXNPFEDSA-N 1 0 278.396 1.644 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000839193086 811429079 /nfs/dbraw/zinc/42/90/79/811429079.db2.gz OLFSIHHUZINUTN-GXTWGEPZSA-N 1 0 268.332 1.395 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000137310486 811527471 /nfs/dbraw/zinc/52/74/71/811527471.db2.gz BVVWHOBZHWAQIU-OAHLLOKOSA-N 1 0 275.396 1.838 20 10 CDCDRO NC(=O)c1cc(C[NH2+]Cc2ccc3ccccc3c2O)on1 ZINC000816569074 811652316 /nfs/dbraw/zinc/65/23/16/811652316.db2.gz YRRBWZVWAHBGJR-UHFFFAOYSA-N 1 0 297.314 1.922 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788266790 811818141 /nfs/dbraw/zinc/81/81/41/811818141.db2.gz BQXOGFDVNQMLQX-JQWIXIFHSA-N 1 0 251.326 1.746 20 10 CDCDRO CN1CC[C@@](O)(C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816570288 811853860 /nfs/dbraw/zinc/85/38/60/811853860.db2.gz PFZJDKSCRQCEKS-QGZVFWFLSA-N 1 0 286.375 1.702 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000877056705 811858412 /nfs/dbraw/zinc/85/84/12/811858412.db2.gz NIJXITUCEXMFEU-GFCCVEGCSA-N 1 0 269.366 1.367 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H](CO)CCF)CC2)cc1 ZINC000846098169 811899644 /nfs/dbraw/zinc/89/96/44/811899644.db2.gz NWWKHVFQKFMAFQ-CQSZACIVSA-N 1 0 296.386 1.974 20 10 CDCDRO OCC1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000395830369 811934776 /nfs/dbraw/zinc/93/47/76/811934776.db2.gz CCMAITAREMIILR-UHFFFAOYSA-N 1 0 265.309 1.373 20 10 CDCDRO CCN1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000846208380 812007032 /nfs/dbraw/zinc/00/70/32/812007032.db2.gz JBLJNJMBDRKVQW-YPMHNXCESA-N 1 0 274.364 1.838 20 10 CDCDRO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(N)cc1 ZINC000863558513 812009024 /nfs/dbraw/zinc/00/90/24/812009024.db2.gz LXMCHFSSPRTRIR-GASCZTMLSA-N 1 0 261.369 1.568 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)c2c1c(F)ccc2O ZINC000886745230 812075137 /nfs/dbraw/zinc/07/51/37/812075137.db2.gz RKEXEXHEVXRKAO-GXSJLCMTSA-N 1 0 293.342 1.694 20 10 CDCDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000841849265 812141029 /nfs/dbraw/zinc/14/10/29/812141029.db2.gz GBZXXNFOEFLILR-AWEZNQCLSA-N 1 0 261.369 1.412 20 10 CDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000831177982 812346431 /nfs/dbraw/zinc/34/64/31/812346431.db2.gz HLXNXXSUOMPPFM-MNOVXSKESA-N 1 0 264.373 1.236 20 10 CDCDRO O=C(NCCC[NH+]1CCCC1)c1cccc(O)c1O ZINC000126399177 812361621 /nfs/dbraw/zinc/36/16/21/812361621.db2.gz AOXDXPBYWWBXCM-UHFFFAOYSA-N 1 0 264.325 1.314 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)cc1OC ZINC000841025002 812364634 /nfs/dbraw/zinc/36/46/34/812364634.db2.gz WXMWJFCYWIRPAJ-MWLCHTKSSA-N 1 0 266.341 1.331 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C2)cc1C ZINC001018383561 812728809 /nfs/dbraw/zinc/72/88/09/812728809.db2.gz GZBJDGNTESBFFW-AWEZNQCLSA-N 1 0 262.353 1.714 20 10 CDCDRO C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1CC[NH3+] ZINC000846692365 812777241 /nfs/dbraw/zinc/77/72/41/812777241.db2.gz ANSPMBAVWIVGII-DOMZBBRYSA-N 1 0 275.396 1.787 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cccc(OC)c1O ZINC000808437184 812806320 /nfs/dbraw/zinc/80/63/20/812806320.db2.gz IGURYGCVEUMWRW-NSHDSACASA-N 1 0 298.408 1.358 20 10 CDCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C[C@@H]1C ZINC000790910804 812815555 /nfs/dbraw/zinc/81/55/55/812815555.db2.gz BQLAHBMHUYSQHY-WDEREUQCSA-N 1 0 278.352 1.653 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c(O)c1 ZINC000785985295 812845349 /nfs/dbraw/zinc/84/53/49/812845349.db2.gz UMKCOFSLEHVOLA-SMDDNHRTSA-N 1 0 265.353 1.994 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000825197584 812858947 /nfs/dbraw/zinc/85/89/47/812858947.db2.gz ZTPRRGPTHISAPS-UKRRQHHQSA-N 1 0 282.359 1.785 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877589729 812866039 /nfs/dbraw/zinc/86/60/39/812866039.db2.gz KVKHCVPMHOFNCF-UHFFFAOYSA-N 1 0 277.368 1.594 20 10 CDCDRO OCCOCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000227335359 812893912 /nfs/dbraw/zinc/89/39/12/812893912.db2.gz GZALXRPCMFJPRM-UHFFFAOYSA-N 1 0 259.733 1.534 20 10 CDCDRO CO[C@@H](C[NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000876995620 812953921 /nfs/dbraw/zinc/95/39/21/812953921.db2.gz IDYXBNGMZONGPG-HNNXBMFYSA-N 1 0 265.353 1.923 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000322730768 813020733 /nfs/dbraw/zinc/02/07/33/813020733.db2.gz VJBSFWGHVAODHH-MNOVXSKESA-N 1 0 250.342 1.876 20 10 CDCDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(F)ccc1O ZINC000817981286 813094808 /nfs/dbraw/zinc/09/48/08/813094808.db2.gz IKLSAESWJCZRQO-PWSUYJOCSA-N 1 0 268.332 1.560 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000839665043 813331976 /nfs/dbraw/zinc/33/19/76/813331976.db2.gz GIYRMOQGITZBDP-ZBFHGGJFSA-N 1 0 278.396 1.318 20 10 CDCDRO COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CC[NH2+]C2)c1 ZINC000817944797 813335700 /nfs/dbraw/zinc/33/57/00/813335700.db2.gz MJYCFTBHWYCJGF-ONGXEEELSA-N 1 0 264.325 1.191 20 10 CDCDRO C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000873860748 813346181 /nfs/dbraw/zinc/34/61/81/813346181.db2.gz WXXVUDLGDLFTPG-GFCCVEGCSA-N 1 0 263.385 1.661 20 10 CDCDRO COCC(COC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000388426420 813468538 /nfs/dbraw/zinc/46/85/38/813468538.db2.gz KONGNOQEKSHXPW-UHFFFAOYSA-N 1 0 251.326 1.373 20 10 CDCDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778924209 1166798014 /nfs/dbraw/zinc/79/80/14/1166798014.db2.gz SZAPMKUPZICXNA-GHMZBOCLSA-N 1 0 278.352 1.587 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(O)c1 ZINC000877628490 813835599 /nfs/dbraw/zinc/83/55/99/813835599.db2.gz IKZQDPSNUFPMKU-OCCSQVGLSA-N 1 0 274.364 1.801 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000230663339 813842099 /nfs/dbraw/zinc/84/20/99/813842099.db2.gz NXMKQKPNDFBWNO-RYUDHWBXSA-N 1 0 253.342 1.749 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1 ZINC000886225831 813862499 /nfs/dbraw/zinc/86/24/99/813862499.db2.gz CIDIRKCLKDEAGU-KBPBESRZSA-N 1 0 265.353 1.720 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000835060434 813901694 /nfs/dbraw/zinc/90/16/94/813901694.db2.gz LRIMVGAAUIAQGI-AWEZNQCLSA-N 1 0 298.770 1.813 20 10 CDCDRO COCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097779 813997865 /nfs/dbraw/zinc/99/78/65/813997865.db2.gz SENPMKXGUHEPAS-CQSZACIVSA-N 1 0 279.384 1.118 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CC(N)=O)c1O ZINC000169092044 814007128 /nfs/dbraw/zinc/00/71/28/814007128.db2.gz CSCVATGRFCIMSU-SSDOTTSWSA-N 1 0 272.732 1.408 20 10 CDCDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861568479 814033250 /nfs/dbraw/zinc/03/32/50/814033250.db2.gz TWCOERZHFBNYKY-JTQLQIEISA-N 1 0 282.363 1.380 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)C[NH3+])c1 ZINC000828667521 814039082 /nfs/dbraw/zinc/03/90/82/814039082.db2.gz RUIJAZGJDAJIBA-IUCAKERBSA-N 1 0 252.314 1.173 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CC2(CO)COC2)cc1F ZINC000858152768 814096311 /nfs/dbraw/zinc/09/63/11/814096311.db2.gz CBCPOCXPNCCTPE-UHFFFAOYSA-N 1 0 286.322 1.129 20 10 CDCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825104353 814178737 /nfs/dbraw/zinc/17/87/37/814178737.db2.gz UXZGDVMDMDEQFE-MLGOLLRUSA-N 1 0 294.370 1.617 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000835075358 814194030 /nfs/dbraw/zinc/19/40/30/814194030.db2.gz WYOZNEARKHWDAX-JKSUJKDBSA-N 1 0 287.407 1.996 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840914995 814197408 /nfs/dbraw/zinc/19/74/08/814197408.db2.gz YGDSRMLFBMQJDR-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO COCCNC(=O)C1([NH2+]Cc2cccc(C)c2O)CC1 ZINC000839191770 814323745 /nfs/dbraw/zinc/32/37/45/814323745.db2.gz FCIMXDFZMNYHFR-UHFFFAOYSA-N 1 0 278.352 1.085 20 10 CDCDRO C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1COCCO1 ZINC000827141643 814491823 /nfs/dbraw/zinc/49/18/23/814491823.db2.gz WIJSXEXVQDTWAR-LLVKDONJSA-N 1 0 271.744 1.893 20 10 CDCDRO Oc1cccc(Br)c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000858174221 814590201 /nfs/dbraw/zinc/59/02/01/814590201.db2.gz PBBUYIUGTWZTJF-OCAPTIKFSA-N 1 0 272.142 1.768 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1O ZINC000883375835 814616297 /nfs/dbraw/zinc/61/62/97/814616297.db2.gz ZZIXLRPQOZMMDB-GMTAPVOTSA-N 1 0 299.392 1.627 20 10 CDCDRO CS(=O)(=O)CC[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819095047 814646453 /nfs/dbraw/zinc/64/64/53/814646453.db2.gz SPKKJVZANDJPOT-UHFFFAOYSA-N 1 0 280.393 1.197 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000886229678 814649338 /nfs/dbraw/zinc/64/93/38/814649338.db2.gz UMORFLDFYAQKFW-UONOGXRCSA-N 1 0 295.379 1.811 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2COCC[C@H]2OC)c1O ZINC000724880276 814706930 /nfs/dbraw/zinc/70/69/30/814706930.db2.gz NZURFNCGIXYAPU-ZIAGYGMSSA-N 1 0 265.353 1.848 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CSC)c1 ZINC000188224470 814753061 /nfs/dbraw/zinc/75/30/61/814753061.db2.gz LEQDZOKPCXRVIX-UWVGGRQHSA-N 1 0 271.382 1.775 20 10 CDCDRO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648870 816829479 /nfs/dbraw/zinc/82/94/79/816829479.db2.gz FKMYJCDJYIBMAG-NEPJUHHUSA-N 1 0 280.368 1.584 20 10 CDCDRO CCOc1cccc(C[NH2+]CCC[S@](C)=O)c1O ZINC000116919710 816861466 /nfs/dbraw/zinc/86/14/66/816861466.db2.gz ICWZGHIZQPHMJS-GOSISDBHSA-N 1 0 271.382 1.649 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)c(O)c1 ZINC000791007014 816865238 /nfs/dbraw/zinc/86/52/38/816865238.db2.gz FZWLMSGIGHIMEM-JTQLQIEISA-N 1 0 266.341 1.357 20 10 CDCDRO CC[NH+](CC)CCNC(=O)NCc1cc(OC)ccc1O ZINC000114581821 816871560 /nfs/dbraw/zinc/87/15/60/816871560.db2.gz PMYCQDQKLUJZNI-UHFFFAOYSA-N 1 0 295.383 1.542 20 10 CDCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000832177782 816885364 /nfs/dbraw/zinc/88/53/64/816885364.db2.gz GMQNGZPIXWLQPU-JTQLQIEISA-N 1 0 266.341 1.405 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2(CO)CCSCC2)c1 ZINC000839182443 816896734 /nfs/dbraw/zinc/89/67/34/816896734.db2.gz PFJAWUXIECIGFD-UHFFFAOYSA-N 1 0 283.393 1.749 20 10 CDCDRO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000164303525 817012915 /nfs/dbraw/zinc/01/29/15/817012915.db2.gz AXTYRSCQFNNXKI-CYBMUJFWSA-N 1 0 262.353 1.719 20 10 CDCDRO COC1(OC)CCOC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000931676016 817029250 /nfs/dbraw/zinc/02/92/50/817029250.db2.gz SROXOZHPCHSGEE-HNNXBMFYSA-N 1 0 294.395 1.620 20 10 CDCDRO C[C@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1ccccc1O ZINC000877255871 817110284 /nfs/dbraw/zinc/11/02/84/817110284.db2.gz JBTJXIMWSUZDSS-NTZNESFSSA-N 1 0 262.353 1.958 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841760333 817110929 /nfs/dbraw/zinc/11/09/29/817110929.db2.gz JXXQYHXMEURVSN-JTQLQIEISA-N 1 0 282.363 1.428 20 10 CDCDRO C[NH+](C)CCOCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790990028 817313266 /nfs/dbraw/zinc/31/32/66/817313266.db2.gz IFHUEUDBWYIZOI-UHFFFAOYSA-N 1 0 290.766 1.853 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000841823842 817316719 /nfs/dbraw/zinc/31/67/19/817316719.db2.gz HWFURAMTZOPSCZ-CYBMUJFWSA-N 1 0 290.411 1.564 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC[S@@](C)=O)c1 ZINC000164717780 817333150 /nfs/dbraw/zinc/33/31/50/817333150.db2.gz DRXUDRBZDUGODK-KRWDZBQOSA-N 1 0 257.355 1.259 20 10 CDCDRO CCOc1cccc(CNC[C@@H]2CCC[NH2+]2)c1O ZINC000841036054 817363070 /nfs/dbraw/zinc/36/30/70/817363070.db2.gz NQTNYKKUQDRVEI-LBPRGKRZSA-N 1 0 250.342 1.633 20 10 CDCDRO CCc1nncn1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834606191 817395043 /nfs/dbraw/zinc/39/50/43/817395043.db2.gz FSCDAXAIUABMME-GFCCVEGCSA-N 1 0 272.352 1.823 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)COCC[NH3+])cc1F ZINC000829038951 817510296 /nfs/dbraw/zinc/51/02/96/817510296.db2.gz QUWLNWLOWPFENG-UHFFFAOYSA-N 1 0 297.374 1.263 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000748445475 817514203 /nfs/dbraw/zinc/51/42/03/817514203.db2.gz ZDHZEIMYEKESBS-CYBMUJFWSA-N 1 0 291.395 1.922 20 10 CDCDRO C[N@H+]1CC=C(CNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960309 817698865 /nfs/dbraw/zinc/69/88/65/817698865.db2.gz LUKCGAFRCMAMGJ-UHFFFAOYSA-N 1 0 288.395 1.372 20 10 CDCDRO CCN(C)c1ccc(Cn2cc(CC[NH+](C)C)nn2)cc1 ZINC000881314996 817744478 /nfs/dbraw/zinc/74/44/78/817744478.db2.gz KOLHUOVPFSRYAL-UHFFFAOYSA-N 1 0 287.411 1.887 20 10 CDCDRO COCCO[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000783714800 817768552 /nfs/dbraw/zinc/76/85/52/817768552.db2.gz DGZUFHKGAMUUSB-GFCCVEGCSA-N 1 0 281.352 1.638 20 10 CDCDRO C[C@@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882308 817804533 /nfs/dbraw/zinc/80/45/33/817804533.db2.gz INLBQLGLUMQJJR-OLZOCXBDSA-N 1 0 290.411 1.804 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[NH2+]C(C)(C)C ZINC000935312035 817844856 /nfs/dbraw/zinc/84/48/56/817844856.db2.gz VHMSQGQMNWQTKB-NSHDSACASA-N 1 0 294.395 1.923 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(CO)CC2)c(O)c1 ZINC001232835723 912542882 /nfs/dbraw/zinc/54/28/82/912542882.db2.gz GPZOZGBEGVLLFJ-UHFFFAOYSA-N 1 0 264.369 1.663 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104122 912933808 /nfs/dbraw/zinc/93/38/08/912933808.db2.gz QHHGKISLKBLKLZ-LBPRGKRZSA-N 1 0 293.367 1.313 20 10 CDCDRO COC(=O)[C@@H](C)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001208722076 894242620 /nfs/dbraw/zinc/24/26/20/894242620.db2.gz DDVJNGFOMNESPH-JTQLQIEISA-N 1 0 279.336 1.655 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CC(N3CC[C@H](F)C3)C2)c1 ZINC001140623386 897196947 /nfs/dbraw/zinc/19/69/47/897196947.db2.gz PODKIHGFIBSDLF-ZDUSSCGKSA-N 1 0 264.344 1.929 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCS(=O)CC2)c1 ZINC000158010402 897547375 /nfs/dbraw/zinc/54/73/75/897547375.db2.gz PCRDIPZNCDFNHF-LAXVZRPASA-N 1 0 283.393 1.963 20 10 CDCDRO COC[C@]1(C(=O)NCc2ccccc2O)CCCC[NH2+]1 ZINC000692202067 900205272 /nfs/dbraw/zinc/20/52/72/900205272.db2.gz CWVUOVSGQDVIRL-HNNXBMFYSA-N 1 0 278.352 1.167 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CCC[NH2+]CC1 ZINC001204675692 901556806 /nfs/dbraw/zinc/55/68/06/901556806.db2.gz UKRUIBNLGTVIAG-UHFFFAOYSA-N 1 0 263.385 1.557 20 10 CDCDRO CN(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000230989759 901659837 /nfs/dbraw/zinc/65/98/37/901659837.db2.gz FLTXACSJCXXBME-UHFFFAOYSA-N 1 0 292.788 1.027 20 10 CDCDRO CC[NH2+]CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237014869 902472842 /nfs/dbraw/zinc/47/28/42/902472842.db2.gz NTKRSCLFEIXNPW-UHFFFAOYSA-N 1 0 275.396 1.659 20 10 CDCDRO CCN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC001172028367 911144821 /nfs/dbraw/zinc/14/48/21/911144821.db2.gz HXOZKKLRRLHMNY-AWEZNQCLSA-N 1 0 274.364 1.722 20 10 CDCDRO O=C1CC[C@@H]2C[C@H]([N@H+]3CCc4cccc(O)c4C3)CCN12 ZINC001172181877 911445169 /nfs/dbraw/zinc/44/51/69/911445169.db2.gz HZXBTUBZHGQAAC-ZIAGYGMSSA-N 1 0 286.375 1.904 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1O ZINC001231591070 911787850 /nfs/dbraw/zinc/78/78/50/911787850.db2.gz RURFJGVLVGMRAQ-UKRRQHHQSA-N 1 0 265.353 1.266 20 10 CDCDRO CCOc1cccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c1O ZINC001206404577 916056865 /nfs/dbraw/zinc/05/68/65/916056865.db2.gz MIQZLTFZELPQME-NWDGAFQWSA-N 1 0 268.332 1.662 20 10 CDCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001179961159 916111783 /nfs/dbraw/zinc/11/17/83/916111783.db2.gz AYDHGNHDADVXHB-OAHLLOKOSA-N 1 0 297.326 1.796 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H](F)C[C@H]([NH3+])C2)c1O ZINC001206447450 916990683 /nfs/dbraw/zinc/99/06/83/916990683.db2.gz YCLOOARBCSMBPW-MNOVXSKESA-N 1 0 288.750 1.925 20 10 CDCDRO CC1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC000828987859 936397975 /nfs/dbraw/zinc/39/79/75/936397975.db2.gz GPGWERIZNWUFOS-MRXNPFEDSA-N 1 0 287.407 1.901 20 10 CDCDRO COc1cc(CN2CC3(C2)CC[NH+](C)CC3)cc(O)c1O ZINC001204344814 917948865 /nfs/dbraw/zinc/94/88/65/917948865.db2.gz DRTKIWVLAVULIO-UHFFFAOYSA-N 1 0 292.379 1.634 20 10 CDCDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(O)c1O ZINC001204349742 917990364 /nfs/dbraw/zinc/99/03/64/917990364.db2.gz WQKNRJYXLVVCLV-OLZOCXBDSA-N 1 0 292.379 1.775 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204352004 918039821 /nfs/dbraw/zinc/03/98/21/918039821.db2.gz XXRVYALCWZSXBC-HNNXBMFYSA-N 1 0 295.335 1.491 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCN4C(=O)CC[C@@H]4C3)ccc21 ZINC001138355784 936525250 /nfs/dbraw/zinc/52/52/50/936525250.db2.gz CTKXCRGLJNBENN-MRXNPFEDSA-N 1 0 299.418 1.876 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)CC2(F)F)cc1 ZINC000832267333 936570670 /nfs/dbraw/zinc/57/06/70/936570670.db2.gz QPFBSWQRKSSFMP-OCCSQVGLSA-N 1 0 297.349 1.914 20 10 CDCDRO OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1Cc1ccccc1O ZINC001203550383 919306884 /nfs/dbraw/zinc/30/68/84/919306884.db2.gz UHQGADXGIZPBIG-JQWIXIFHSA-N 1 0 291.269 1.252 20 10 CDCDRO COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(O)c1 ZINC001203622299 919700210 /nfs/dbraw/zinc/70/02/10/919700210.db2.gz XJJPKSHJOPDGTK-HZUKXOBISA-N 1 0 293.363 1.373 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCN(C)C(=O)[C@H]2C)c1O ZINC001140181663 936685066 /nfs/dbraw/zinc/68/50/66/936685066.db2.gz DWCVAVXOZFDHJG-GFCCVEGCSA-N 1 0 262.353 1.672 20 10 CDCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001140338112 936702932 /nfs/dbraw/zinc/70/29/32/936702932.db2.gz VQRHJSQMDQIRQY-PWSUYJOCSA-N 1 0 259.708 1.950 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)CCC(=O)N2)c1 ZINC000835060735 936715492 /nfs/dbraw/zinc/71/54/92/936715492.db2.gz MWCRNEDZHCUVBP-HNNXBMFYSA-N 1 0 278.352 1.549 20 10 CDCDRO CC1(C)C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CCO1 ZINC001255526174 936717217 /nfs/dbraw/zinc/71/72/17/936717217.db2.gz ILRRVSAKZPJTSU-LLVKDONJSA-N 1 0 281.352 1.893 20 10 CDCDRO C[NH+]1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140662553 936736524 /nfs/dbraw/zinc/73/65/24/936736524.db2.gz YJVKQWVQKUMJJC-UHFFFAOYSA-N 1 0 293.386 1.410 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@H](O)C2)c1O ZINC001140744444 936749120 /nfs/dbraw/zinc/74/91/20/936749120.db2.gz XQIMDJRNHUWFLN-LBPRGKRZSA-N 1 0 251.326 1.753 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC001140749218 936749427 /nfs/dbraw/zinc/74/94/27/936749427.db2.gz RSVGDWLPWBOYCG-OAHLLOKOSA-N 1 0 292.335 1.481 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCOCC2)c(OC)c1 ZINC001141031736 936795561 /nfs/dbraw/zinc/79/55/61/936795561.db2.gz JCFRPMVCXWNWEE-UHFFFAOYSA-N 1 0 267.325 1.632 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(CO)C2)c(OC)c1 ZINC001141031975 936795583 /nfs/dbraw/zinc/79/55/83/936795583.db2.gz PAGNBGVYMVYHIJ-HNNXBMFYSA-N 1 0 281.352 1.614 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156762 936821217 /nfs/dbraw/zinc/82/12/17/936821217.db2.gz UEXSEKBHZNBLHC-ZWNOBZJWSA-N 1 0 251.326 1.691 20 10 CDCDRO Oc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001141156058 936821475 /nfs/dbraw/zinc/82/14/75/936821475.db2.gz PBJOZCMUSFJWKR-UHFFFAOYSA-N 1 0 285.347 1.815 20 10 CDCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160445 936822116 /nfs/dbraw/zinc/82/21/16/936822116.db2.gz YQUQYYCWJDDLBX-OAHLLOKOSA-N 1 0 279.336 1.873 20 10 CDCDRO CN1CCOc2cc(C[NH+]3CC(C4COC4)C3)ccc21 ZINC001141140299 936818417 /nfs/dbraw/zinc/81/84/17/936818417.db2.gz KGJAHPFTXXNQGG-UHFFFAOYSA-N 1 0 274.364 1.593 20 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20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cccc(C)c1O ZINC000843122407 937114060 /nfs/dbraw/zinc/11/40/60/937114060.db2.gz CAMYJBJHQJSKSJ-ZDUSSCGKSA-N 1 0 278.352 1.038 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850282297 927408052 /nfs/dbraw/zinc/40/80/52/927408052.db2.gz WRIVQGTXRNSFKF-GFCCVEGCSA-N 1 0 297.395 1.795 20 10 CDCDRO CCc1cccc(C[NH2+]CC(=O)NCC2CC2)c1O ZINC000691457018 928879992 /nfs/dbraw/zinc/87/99/92/928879992.db2.gz YJNVCQKRICXLBL-UHFFFAOYSA-N 1 0 262.353 1.570 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000858579172 928890954 /nfs/dbraw/zinc/89/09/54/928890954.db2.gz NLJAPNKYKNAZOH-IUCAKERBSA-N 1 0 270.304 1.590 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1O ZINC000697579822 937284348 /nfs/dbraw/zinc/28/43/48/937284348.db2.gz OIZLBUXYXLFFQB-CMPLNLGQSA-N 1 0 271.382 1.866 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000697621039 937284723 /nfs/dbraw/zinc/28/47/23/937284723.db2.gz QTDZMWPIYSEHCF-SNVBAGLBSA-N 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ZINC001154890616 937600604 /nfs/dbraw/zinc/60/06/04/937600604.db2.gz FOLYVGQGSSVPNB-UHFFFAOYSA-N 1 0 284.363 1.896 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC001120591996 937814805 /nfs/dbraw/zinc/81/48/05/937814805.db2.gz OHANBWMDENTUOM-HNNXBMFYSA-N 1 0 288.395 1.649 20 10 CDCDRO CNc1ccccc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162979285 939167775 /nfs/dbraw/zinc/16/77/75/939167775.db2.gz NNBHUWQICHCVAF-UHFFFAOYSA-N 1 0 272.356 1.425 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001203562696 939693505 /nfs/dbraw/zinc/69/35/05/939693505.db2.gz OPQQSARMAVWCNF-ZDUSSCGKSA-N 1 0 271.320 1.836 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CC(OC)OC)c1O ZINC001203613627 939696573 /nfs/dbraw/zinc/69/65/73/939696573.db2.gz CJNVUKRZOHICLA-UHFFFAOYSA-N 1 0 269.341 1.842 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(O)c1 ZINC001203620998 939697043 /nfs/dbraw/zinc/69/70/43/939697043.db2.gz MVRSDOZEDGKFRB-ZYHUDNBSSA-N 1 0 251.326 1.746 20 10 CDCDRO C[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)[C@@H]1CO ZINC001203874634 939710531 /nfs/dbraw/zinc/71/05/31/939710531.db2.gz AUZOIVLAQSKIAR-ZYHUDNBSSA-N 1 0 251.326 1.691 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)CO)c2ccccc21 ZINC001204234997 939745607 /nfs/dbraw/zinc/74/56/07/939745607.db2.gz BXHGUJNJZZNWGS-CQSZACIVSA-N 1 0 288.391 1.691 20 10 CDCDRO CN1CC[N@H+](Cc2ccc(O)cc2O)CC1(C)C ZINC001204279995 939752227 /nfs/dbraw/zinc/75/22/27/939752227.db2.gz HUWHDHNLCXKDDT-UHFFFAOYSA-N 1 0 250.342 1.624 20 10 CDCDRO [NH3+][C@H]1CN(Cc2cc(Cl)c(O)cc2O)CC(F)(F)C1 ZINC001206140544 939985571 /nfs/dbraw/zinc/98/55/71/939985571.db2.gz ZZWMAOVEQSXKOT-MRVPVSSYSA-N 1 0 292.713 1.920 20 10 CDCDRO O=C1CCCN1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000405385848 940986317 /nfs/dbraw/zinc/98/63/17/940986317.db2.gz GKNCZBGKAKKPBA-UHFFFAOYSA-N 1 0 260.337 1.334 20 10 CDCDRO C[C@@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)C1CC[NH2+]CC1 ZINC001218010153 941035766 /nfs/dbraw/zinc/03/57/66/941035766.db2.gz RSBMOQSPRKVANO-SECBINFHSA-N 1 0 289.335 1.808 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2cccc(O)c2O)C1 ZINC001219659336 941372944 /nfs/dbraw/zinc/37/29/44/941372944.db2.gz WDZBYOZLUPTUFH-VHSXEESVSA-N 1 0 264.325 1.073 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)cc1 ZINC001221250592 941507704 /nfs/dbraw/zinc/50/77/04/941507704.db2.gz PRKTXSIWOJEJHA-QGZVFWFLSA-N 1 0 287.407 1.850 20 10 CDCDRO CN(C)c1ccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492382 941602307 /nfs/dbraw/zinc/60/23/07/941602307.db2.gz VPPWRHUSKXWMOF-IRXDYDNUSA-N 1 0 288.439 1.278 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCNC[C@]3(CCCCN3)C2)c1O ZINC001222681891 941625487 /nfs/dbraw/zinc/62/54/87/941625487.db2.gz WYCYQHASQLJLET-QGZVFWFLSA-N 1 0 289.423 1.618 20 10 CDCDRO CN(C)c1ccc(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)cc1 ZINC001227939321 942246433 /nfs/dbraw/zinc/24/64/33/942246433.db2.gz SCAASTAONDRNTD-MAZHCROVSA-N 1 0 274.364 1.936 20 10 CDCDRO NC(=O)[C@H]1CCSC12C[NH+](Cc1ccccc1O)C2 ZINC001277440771 942574944 /nfs/dbraw/zinc/57/49/44/942574944.db2.gz DRTZZXKXEARLBU-LLVKDONJSA-N 1 0 278.377 1.185 20 10 CDCDRO O=C(N1CC=CC1)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001277445466 942584303 /nfs/dbraw/zinc/58/43/03/942584303.db2.gz GTXCFJOCVHWCLC-PBHICJAKSA-N 1 0 284.359 1.755 20 10 CDCDRO COc1cc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c(O)cc1O ZINC001231639147 942956589 /nfs/dbraw/zinc/95/65/89/942956589.db2.gz MFAQQIBTKJMSIH-CYBMUJFWSA-N 1 0 292.379 1.775 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001231847779 943028135 /nfs/dbraw/zinc/02/81/35/943028135.db2.gz CWKUNGKVMNNKJQ-DOMZBBRYSA-N 1 0 278.396 1.964 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC001232840302 943415334 /nfs/dbraw/zinc/41/53/34/943415334.db2.gz SFYOMHONWARGMT-CYBMUJFWSA-N 1 0 291.351 1.095 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCC2OCCO2)c(O)c1 ZINC001232840393 943416256 /nfs/dbraw/zinc/41/62/56/943416256.db2.gz WFUDAOKPEMABCH-UHFFFAOYSA-N 1 0 280.368 1.653 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)c(O)c1 ZINC001232841187 943416824 /nfs/dbraw/zinc/41/68/24/943416824.db2.gz XGFYNHWAYGFBFR-BBRMVZONSA-N 1 0 289.423 1.984 20 10 CDCDRO OCC[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016045 943464729 /nfs/dbraw/zinc/46/47/29/943464729.db2.gz FDUHZBICHWVVSH-JTQLQIEISA-N 1 0 267.325 1.398 20 10 CDCDRO Oc1cc(CN2CC[C@@]23CCOC3)cc(O)c1O ZINC001233016246 943464877 /nfs/dbraw/zinc/46/48/77/943464877.db2.gz QDSKZGDGBIRSPF-ZDUSSCGKSA-N 1 0 251.282 1.168 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001233287506 943531257 /nfs/dbraw/zinc/53/12/57/943531257.db2.gz SYDWESBJMAJTLH-MNOVXSKESA-N 1 0 289.734 1.959 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c1 ZINC001233284560 943531943 /nfs/dbraw/zinc/53/19/43/943531943.db2.gz ZJOQQMLPWHDTMJ-SWLSCSKDSA-N 1 0 279.380 1.475 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)cc1O ZINC001233484866 943592579 /nfs/dbraw/zinc/59/25/79/943592579.db2.gz AEAFEZPHIOYPGQ-UHFFFAOYSA-N 1 0 279.336 1.806 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1O ZINC001233486365 943594541 /nfs/dbraw/zinc/59/45/41/943594541.db2.gz KJLKBGGOWRKDSF-OAHLLOKOSA-N 1 0 279.336 1.806 20 10 CDCDRO CO[C@H](C)C1C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233487128 943595764 /nfs/dbraw/zinc/59/57/64/943595764.db2.gz RCPQTHLNAPFNBX-MRVPVSSYSA-N 1 0 253.298 1.270 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc(O)c(O)cc1O ZINC001233487286 943596428 /nfs/dbraw/zinc/59/64/28/943596428.db2.gz XSDCQGOCZUSJHU-UHFFFAOYSA-N 1 0 269.297 1.188 20 10 CDCDRO Oc1cc(Cl)c(F)cc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234995605 944002618 /nfs/dbraw/zinc/00/26/18/944002618.db2.gz XUAZBCCWGNUUMO-CQSZACIVSA-N 1 0 299.777 1.322 20 10 CDCDRO Oc1cc(Cl)c(F)cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234995604 944003562 /nfs/dbraw/zinc/00/35/62/944003562.db2.gz XUAZBCCWGNUUMO-AWEZNQCLSA-N 1 0 299.777 1.322 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235079134 944046521 /nfs/dbraw/zinc/04/65/21/944046521.db2.gz PGTUSFSNRTUBNB-VXGBXAGGSA-N 1 0 282.771 1.990 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(Cl)c1 ZINC001235170832 944077618 /nfs/dbraw/zinc/07/76/18/944077618.db2.gz CJROQDIYQDUBIH-LKFCYVNXSA-N 1 0 282.771 1.977 20 10 CDCDRO COc1cc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994173 944360515 /nfs/dbraw/zinc/36/05/15/944360515.db2.gz SLSJGDGCMQJMHT-XHDPSFHLSA-N 1 0 278.352 1.333 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1c(O)cccc1Br)C2 ZINC001236031455 944385668 /nfs/dbraw/zinc/38/56/68/944385668.db2.gz XNUYUHQSAIRSIE-PRHODGIISA-N 1 0 283.169 1.688 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001236172109 944421980 /nfs/dbraw/zinc/42/19/80/944421980.db2.gz ATYXXRHANNRNIH-JTQLQIEISA-N 1 0 290.285 1.866 20 10 CDCDRO COc1cc(CN2CCC[C@@H]2C[NH3+])c(O)c(OC)c1 ZINC001236253099 944437992 /nfs/dbraw/zinc/43/79/92/944437992.db2.gz RAPOZHZEWZZVFL-LLVKDONJSA-N 1 0 266.341 1.333 20 10 CDCDRO Oc1c(CN2C[C@H]3C[NH2+]C[C@H]32)ccc2ccccc21 ZINC001236288841 944447321 /nfs/dbraw/zinc/44/73/21/944447321.db2.gz JCDYEMOEMOPJRJ-UKRRQHHQSA-N 1 0 254.333 1.949 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c(O)c1 ZINC001236811243 944576736 /nfs/dbraw/zinc/57/67/36/944576736.db2.gz MRQKYNIBDIURTH-RISCZKNCSA-N 1 0 290.363 1.229 20 10 CDCDRO COCCCN(Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001236945600 944620969 /nfs/dbraw/zinc/62/09/69/944620969.db2.gz HNRUYHDYLZZFJD-OAHLLOKOSA-N 1 0 263.385 1.469 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CS(=O)C2 ZINC001237485132 944810885 /nfs/dbraw/zinc/81/08/85/944810885.db2.gz MCURUCMUVKAUSB-UHFFFAOYSA-N 1 0 251.351 1.265 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c(OC)c1 ZINC001237675026 944919922 /nfs/dbraw/zinc/91/99/22/944919922.db2.gz QHGSEINCKZLIFR-JTQLQIEISA-N 1 0 294.351 1.107 20 10 CDCDRO Cn1ccc(-c2ccc3c([C@@H]4CCC[NH2+]4)nnn3c2)cc1=O ZINC001240985697 946130024 /nfs/dbraw/zinc/13/00/24/946130024.db2.gz HFMALDPGKICWJG-ZDUSSCGKSA-N 1 0 295.346 1.520 20 10 CDCDRO CCOc1ccc(N2CCN([C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001255440582 947895645 /nfs/dbraw/zinc/89/56/45/947895645.db2.gz FVCJEOCLMVWRQZ-INIZCTEOSA-N 1 0 289.423 1.911 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)c1 ZINC001249171513 949436381 /nfs/dbraw/zinc/43/63/81/949436381.db2.gz CYODEXKBWISFOK-INIZCTEOSA-N 1 0 293.363 1.312 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)c1 ZINC001249173656 949443437 /nfs/dbraw/zinc/44/34/37/949443437.db2.gz UUXBISHRSBPJBI-MFKMUULPSA-N 1 0 279.336 1.063 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@H](O)COCc2ccco2)c(O)c1 ZINC001252654577 951542482 /nfs/dbraw/zinc/54/24/82/951542482.db2.gz CEVWKAQPWMGYQE-ZDUSSCGKSA-N 1 0 293.319 1.358 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001328713535 955432784 /nfs/dbraw/zinc/43/27/84/955432784.db2.gz LEGFOEBQMBNEGU-NSHDSACASA-N 1 0 296.390 1.546 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)CCNS(C)(=O)=O)cc1 ZINC001321007371 959528455 /nfs/dbraw/zinc/52/84/55/959528455.db2.gz FSZHOMVLIGHVKA-UHFFFAOYSA-N 1 0 299.440 1.124 20 10 CDCDRO CCC[NH+]1CCC(NC(=O)NCc2ccc(N)cc2)CC1 ZINC001336838075 960645642 /nfs/dbraw/zinc/64/56/42/960645642.db2.gz APAQLEKPECRPTJ-UHFFFAOYSA-N 1 0 290.411 1.942 20 10 CDCDRO C[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CC[NH3+] ZINC001337019794 960856560 /nfs/dbraw/zinc/85/65/60/960856560.db2.gz VLLWGNHPZNVLRM-IUODEOHRSA-N 1 0 290.411 1.928 20 10 CDCDRO CCCN(C(=O)NCc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001338793689 961998197 /nfs/dbraw/zinc/99/81/97/961998197.db2.gz RYMQGOSSJDPQQC-AWEZNQCLSA-N 1 0 276.384 1.552 20 10 CDCDRO Cn1cnc(/C=C\C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001343685815 964096631 /nfs/dbraw/zinc/09/66/31/964096631.db2.gz HUELEEDEGLIHEJ-FMFIFOJESA-N 1 0 282.347 1.350 20 10 CDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N)cc1 ZINC001345160177 964610520 /nfs/dbraw/zinc/61/05/20/964610520.db2.gz SSJDLUDXNXELSK-YUTCNCBUSA-N 1 0 259.353 1.355 20 10 CDCDRO C[C@H](C[NH3+])N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001345944913 964866841 /nfs/dbraw/zinc/86/68/41/964866841.db2.gz WQATUFIOKTWMBP-CYBMUJFWSA-N 1 0 294.418 1.357 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(N(C)C)cc1C ZINC001348492948 966021262 /nfs/dbraw/zinc/02/12/62/966021262.db2.gz NDGNBHHHPWZWEO-GJZGRUSLSA-N 1 0 292.379 1.169 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC001353443395 967985295 /nfs/dbraw/zinc/98/52/95/967985295.db2.gz UNEYDONZHDBPGK-CYBMUJFWSA-N 1 0 274.368 1.210 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1O ZINC000848562499 969174081 /nfs/dbraw/zinc/17/40/81/969174081.db2.gz DTDFSVJMBHREPS-ONGXEEELSA-N 1 0 290.342 1.868 20 10 CDCDRO CCc1cccc(CN2CC(OCCOC)C2)c1O ZINC000848900482 969341999 /nfs/dbraw/zinc/34/19/99/969341999.db2.gz MHTKXZXHLHMUKY-UHFFFAOYSA-N 1 0 265.353 1.802 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(N3CCOCC3)CC2)c1O ZINC000848907836 969346888 /nfs/dbraw/zinc/34/68/88/969346888.db2.gz UMLCVALGNGDRPK-UHFFFAOYSA-N 1 0 290.407 1.909 20 10 CDCDRO CCc1cccc(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000848915201 969352078 /nfs/dbraw/zinc/35/20/78/969352078.db2.gz DPABWRXJCIPISG-OKILXGFUSA-N 1 0 292.423 1.842 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)[NH3+] ZINC000849350735 969939875 /nfs/dbraw/zinc/93/98/75/969939875.db2.gz UPHQDEJEZYVNJX-UHFFFAOYSA-N 1 0 295.402 1.831 20 10 CDCDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001578598776 1171961115 /nfs/dbraw/zinc/96/11/15/1171961115.db2.gz WAAINXJNLDWFSM-LBPRGKRZSA-N 1 0 289.339 1.673 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COCCOC ZINC000295086297 199337691 /nfs/dbraw/zinc/33/76/91/199337691.db2.gz RRPQKKQPVWATHX-HNNXBMFYSA-N 1 0 297.395 1.628 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000295124864 199358136 /nfs/dbraw/zinc/35/81/36/199358136.db2.gz NTVXABGPUHFNNL-LBPRGKRZSA-N 1 0 294.351 1.673 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)c(O)c1 ZINC000036781430 356883607 /nfs/dbraw/zinc/88/36/07/356883607.db2.gz FGQWKQXTMMGAMW-NSHDSACASA-N 1 0 250.342 1.876 20 10 CDCDRO Cc1cccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1O ZINC000188899984 357950011 /nfs/dbraw/zinc/95/00/11/357950011.db2.gz WYKPRJKCJYSPSL-CQSZACIVSA-N 1 0 292.423 1.978 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1OC ZINC000189965041 358046988 /nfs/dbraw/zinc/04/69/88/358046988.db2.gz GOGZXZJZMHLZBR-KGLIPLIRSA-N 1 0 281.352 1.658 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000281567905 363814839 /nfs/dbraw/zinc/81/48/39/363814839.db2.gz KGXRHSIAQCVCIR-GHMZBOCLSA-N 1 0 269.341 1.449 20 10 CDCDRO C[S@@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000282279907 364030668 /nfs/dbraw/zinc/03/06/68/364030668.db2.gz IBVHNQRNXCEXQY-GOSISDBHSA-N 1 0 265.378 1.622 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000269239124 364166373 /nfs/dbraw/zinc/16/63/73/364166373.db2.gz AJHLDVZQILQGCF-ZDUSSCGKSA-N 1 0 295.358 1.220 20 10 CDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000037267755 299345827 /nfs/dbraw/zinc/34/58/27/299345827.db2.gz FBFQDOKRBYBIGF-RYUDHWBXSA-N 1 0 263.385 1.880 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000271076288 364908986 /nfs/dbraw/zinc/90/89/86/364908986.db2.gz HAWVTBXKJQWNRF-JTQLQIEISA-N 1 0 297.351 1.650 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000168413507 364985046 /nfs/dbraw/zinc/98/50/46/364985046.db2.gz ZIKOZSZVSGDNLJ-VVVCHXIZSA-N 1 0 257.355 1.257 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC2CC2)c1 ZINC000182404918 365116913 /nfs/dbraw/zinc/11/69/13/365116913.db2.gz HSKRCYNRNFGRSK-JTQLQIEISA-N 1 0 278.352 1.578 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(=O)[nH]n1 ZINC000285827613 368661338 /nfs/dbraw/zinc/66/13/38/368661338.db2.gz WUFRDFCJWMMDOR-LLVKDONJSA-N 1 0 272.352 1.687 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000273739666 371176766 /nfs/dbraw/zinc/17/67/66/371176766.db2.gz LQRMWEOMFYVHIM-JTQLQIEISA-N 1 0 284.743 1.375 20 10 CDCDRO CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1O ZINC000186299839 378846863 /nfs/dbraw/zinc/84/68/63/378846863.db2.gz MRFQEZFFZWZTEZ-GXTWGEPZSA-N 1 0 251.326 1.584 20 10 CDCDRO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109772998 390648493 /nfs/dbraw/zinc/64/84/93/390648493.db2.gz YGXKNSDYFAYYRH-GFCCVEGCSA-N 1 0 264.369 1.985 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC000092764410 390896610 /nfs/dbraw/zinc/89/66/10/390896610.db2.gz OCQFVQXARGAINP-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO CCOc1ccc(O)c(CN2CCNC(=O)[C@H]2C(C)C)c1 ZINC000093055434 390899358 /nfs/dbraw/zinc/89/93/58/390899358.db2.gz DQGWWEGEEFZQKY-OAHLLOKOSA-N 1 0 292.379 1.747 20 10 CDCDRO CCN(CCS(C)(=O)=O)Cc1cccc(OC)c1O ZINC000093816144 390904725 /nfs/dbraw/zinc/90/47/25/390904725.db2.gz XZTBAEYPYMJCTQ-UHFFFAOYSA-N 1 0 287.381 1.267 20 10 CDCDRO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000062745042 391101830 /nfs/dbraw/zinc/10/18/30/391101830.db2.gz VZNQQPUIRCOEOH-ZDUSSCGKSA-N 1 0 295.402 1.819 20 10 CDCDRO CC[C@H]([NH2+][C@@H](CCO)COC)c1ccccc1O ZINC000229556265 391137156 /nfs/dbraw/zinc/13/71/56/391137156.db2.gz LOMSFTVMJRKKBF-AAEUAGOBSA-N 1 0 253.342 1.830 20 10 CDCDRO COc1cccc(C[NH2+]C[C@]2(O)CCSC2)c1O ZINC000176752881 391157417 /nfs/dbraw/zinc/15/74/17/391157417.db2.gz WYRJIFAWKQBXGU-CYBMUJFWSA-N 1 0 269.366 1.358 20 10 CDCDRO COCC[N@H+](C)CCCNC(=O)c1ccc(C)c(O)c1O ZINC000181962892 391229073 /nfs/dbraw/zinc/22/90/73/391229073.db2.gz RNDKJHLPUUHDHP-UHFFFAOYSA-N 1 0 296.367 1.104 20 10 CDCDRO Cn1cc(CC[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000108098658 391777652 /nfs/dbraw/zinc/77/76/52/391777652.db2.gz MAROJPVVIISSJO-UHFFFAOYSA-N 1 0 257.337 1.687 20 10 CDCDRO CCOc1cccc(C[NH2+]CC[C@H](O)COC)c1O ZINC000153754842 392404646 /nfs/dbraw/zinc/40/46/46/392404646.db2.gz BXHLBQPNJQUSHM-LBPRGKRZSA-N 1 0 269.341 1.278 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000090849200 260262620 /nfs/dbraw/zinc/26/26/20/260262620.db2.gz XHUVHNHPMJETER-WFASDCNBSA-N 1 0 264.369 1.555 20 10 CDCDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000155417833 261101520 /nfs/dbraw/zinc/10/15/20/261101520.db2.gz NASYNRVELQKRSA-PWSUYJOCSA-N 1 0 279.336 1.856 20 10 CDCDRO CC[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000164797213 261359052 /nfs/dbraw/zinc/35/90/52/261359052.db2.gz SRYVUCGKJVKYFF-CQSZACIVSA-N 1 0 284.425 1.838 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000185638687 262063399 /nfs/dbraw/zinc/06/33/99/262063399.db2.gz KOMBBFOKVMFHOA-YGRLFVJLSA-N 1 0 283.393 1.919 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000272287939 263003287 /nfs/dbraw/zinc/00/32/87/263003287.db2.gz NTHOJQWQJMMZKZ-NSHDSACASA-N 1 0 269.366 1.259 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000367703411 267110732 /nfs/dbraw/zinc/11/07/32/267110732.db2.gz JCIDIGONQFPCLL-NSHDSACASA-N 1 0 278.352 1.488 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000367703410 267111437 /nfs/dbraw/zinc/11/14/37/267111437.db2.gz JCIDIGONQFPCLL-LLVKDONJSA-N 1 0 278.352 1.488 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368971714 267215721 /nfs/dbraw/zinc/21/57/21/267215721.db2.gz CUWPPFYGUKTQIS-VHRBIJSZSA-N 1 0 290.363 1.487 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000373739384 267706689 /nfs/dbraw/zinc/70/66/89/267706689.db2.gz XFYHGNGIIRHNGN-NJZAAPMLSA-N 1 0 274.364 1.786 20 10 CDCDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC000377274168 268062951 /nfs/dbraw/zinc/06/29/51/268062951.db2.gz WMDXVXKXJLEZRS-XHDPSFHLSA-N 1 0 281.327 1.911 20 10 CDCDRO C[NH+](C)C[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000128155140 273801738 /nfs/dbraw/zinc/80/17/38/273801738.db2.gz DXVRWNXTVLOAMC-NSHDSACASA-N 1 0 284.787 1.808 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296409292 279374837 /nfs/dbraw/zinc/37/48/37/279374837.db2.gz KUESNOZDRRGGON-MIHTYCSTSA-N 1 0 253.367 1.736 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)NCc1ccccc1O ZINC000266947294 328170734 /nfs/dbraw/zinc/17/07/34/328170734.db2.gz JJMOMLUBRFJWKJ-UHFFFAOYSA-N 1 0 279.384 1.923 20 10 CDCDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000263196335 330048628 /nfs/dbraw/zinc/04/86/28/330048628.db2.gz IKTHLFWXDNJFDT-HOCLYGCPSA-N 1 0 275.396 1.835 20 10 CDCDRO CC[C@](C)(CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000080886466 330350159 /nfs/dbraw/zinc/35/01/59/330350159.db2.gz MXYLYANQRZKGHO-CYBMUJFWSA-N 1 0 253.298 1.372 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230935428 333322670 /nfs/dbraw/zinc/32/26/70/333322670.db2.gz UKQIDKPKXAAQDJ-LLVKDONJSA-N 1 0 289.759 1.541 20 10 CDCDRO COc1cccc(CN(C)C[C@@H]2CCC[NH2+]2)c1O ZINC000235043465 1178232146 /nfs/dbraw/zinc/23/21/46/1178232146.db2.gz LLGNDDXSNNXXLJ-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000188468646 520200314 /nfs/dbraw/zinc/20/03/14/520200314.db2.gz DFESZYBBRXTLNQ-SNVBAGLBSA-N 1 0 266.341 1.357 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)[C@H]1OC ZINC000274847462 520370085 /nfs/dbraw/zinc/37/00/85/520370085.db2.gz AIXZQKBFTZGVBO-UMVBOHGHSA-N 1 0 265.353 1.983 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)C[NH3+])cc1F ZINC000285768749 520900334 /nfs/dbraw/zinc/90/03/34/520900334.db2.gz LNZHOJKUTIGGEM-NSHDSACASA-N 1 0 281.375 1.883 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)C[NH2+]C ZINC000236732976 521689218 /nfs/dbraw/zinc/68/92/18/521689218.db2.gz PZMGAGITEGWBRV-GFCCVEGCSA-N 1 0 264.369 1.986 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000062899678 522202554 /nfs/dbraw/zinc/20/25/54/522202554.db2.gz XOWHMPLRHVQMHS-OAHLLOKOSA-N 1 0 261.369 1.368 20 10 CDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823758 522364134 /nfs/dbraw/zinc/36/41/34/522364134.db2.gz XWUDTMQVKVYWJX-MFKMUULPSA-N 1 0 250.342 1.724 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000290299892 522686658 /nfs/dbraw/zinc/68/66/58/522686658.db2.gz YRAXGWCPHAVCAY-WPRPVWTQSA-N 1 0 259.733 1.704 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCCCCO)cc1OC ZINC000193161408 522776984 /nfs/dbraw/zinc/77/69/84/522776984.db2.gz DFXJZTXZYBYXAY-UHFFFAOYSA-N 1 0 269.341 1.662 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(O)c1O ZINC000279304999 524924040 /nfs/dbraw/zinc/92/40/40/524924040.db2.gz NUBJQVXTOIGKOL-BXKDBHETSA-N 1 0 276.336 1.310 20 10 CDCDRO COc1cccc(CN2CC[NH+](C(C)C)CC2)c1O ZINC000132266836 525946323 /nfs/dbraw/zinc/94/63/23/525946323.db2.gz LWNXSYWSKMMHAU-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000237532935 526254888 /nfs/dbraw/zinc/25/48/88/526254888.db2.gz LOSKYMCJLKBRPU-LBPRGKRZSA-N 1 0 298.390 1.923 20 10 CDCDRO COc1cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c(O)cc1C ZINC000768445824 576284125 /nfs/dbraw/zinc/28/41/25/576284125.db2.gz JRXUQXCDSDBGFG-GFCCVEGCSA-N 1 0 278.352 1.372 20 10 CDCDRO C[C@@H]1[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCOC1(C)C ZINC000768461578 576286205 /nfs/dbraw/zinc/28/62/05/576286205.db2.gz DLQWQKNNZGTNQH-IINYFYTJSA-N 1 0 293.363 1.817 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC(O)C1 ZINC000761224409 576560985 /nfs/dbraw/zinc/56/09/85/576560985.db2.gz ZZFHXZPTBSPQBI-UHFFFAOYSA-N 1 0 294.370 1.617 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000754888695 576921131 /nfs/dbraw/zinc/92/11/31/576921131.db2.gz FNDFUKGSDIPWBF-LBPRGKRZSA-N 1 0 299.392 1.458 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000749130006 576936569 /nfs/dbraw/zinc/93/65/69/576936569.db2.gz OPGJGFBDEJZKKJ-CHWSQXEVSA-N 1 0 291.395 1.438 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cc2c(cc1O)CCCC2 ZINC000756554564 576995301 /nfs/dbraw/zinc/99/53/01/576995301.db2.gz IIPNLLLUEPQFPK-SWLSCSKDSA-N 1 0 292.423 1.844 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccccc1O ZINC000757926022 577060964 /nfs/dbraw/zinc/06/09/64/577060964.db2.gz JEQGFEZCYSKGFT-AWEZNQCLSA-N 1 0 267.325 1.450 20 10 CDCDRO CC1(C)OCC([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000758012112 577067098 /nfs/dbraw/zinc/06/70/98/577067098.db2.gz MFHRSHDMBHMUOJ-UHFFFAOYSA-N 1 0 263.337 1.863 20 10 CDCDRO CCOc1ccc(C[NH2+]CCN2CCC2)c(O)c1 ZINC000752107029 577089535 /nfs/dbraw/zinc/08/95/35/577089535.db2.gz NYBQLQWLXUWHIL-UHFFFAOYSA-N 1 0 250.342 1.586 20 10 CDCDRO C[N@@H+]1CC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890760405 617321360 /nfs/dbraw/zinc/32/13/60/617321360.db2.gz QYHVFYBKBPICIX-JTQLQIEISA-N 1 0 268.744 1.614 20 10 CDCDRO C[C@H](C(=O)NCc1cccc(Cl)c1O)[NH+](C)C ZINC000890760857 617321385 /nfs/dbraw/zinc/32/13/85/617321385.db2.gz BIKOWCPAPPXRMK-MRVPVSSYSA-N 1 0 256.733 1.612 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1O ZINC000892092108 617476304 /nfs/dbraw/zinc/47/63/04/617476304.db2.gz INPRBNKSDBJZEV-NQBHXWOUSA-N 1 0 277.368 1.750 20 10 CDCDRO COc1ccc(C[NH2+]CCC(=O)NC(C)C)c(O)c1OC ZINC000892538509 617486766 /nfs/dbraw/zinc/48/67/66/617486766.db2.gz RLQSIHPVCOMIPA-UHFFFAOYSA-N 1 0 296.367 1.414 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1OC ZINC000892186546 617537900 /nfs/dbraw/zinc/53/79/00/617537900.db2.gz XYDKZEXTDDGICP-AWEZNQCLSA-N 1 0 267.325 1.366 20 10 CDCDRO [NH3+]CC1(CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000892221437 617562210 /nfs/dbraw/zinc/56/22/10/617562210.db2.gz WTDJVJQDLUBQCO-UHFFFAOYSA-N 1 0 275.352 1.546 20 10 CDCDRO COc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1OC ZINC000894004952 618243325 /nfs/dbraw/zinc/24/33/25/618243325.db2.gz DJBSEIMGXJWKCQ-BETUJISGSA-N 1 0 297.351 1.255 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000927768738 618652526 /nfs/dbraw/zinc/65/25/26/618652526.db2.gz TZOPCXDPYAZEFC-AWEZNQCLSA-N 1 0 261.369 1.758 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000894184542 618671322 /nfs/dbraw/zinc/67/13/22/618671322.db2.gz BBPBOWNJYKVZTP-CMPLNLGQSA-N 1 0 299.392 1.314 20 10 CDCDRO CCOc1ccc(CN2CCCO[C@H](C[NH3+])C2)c(O)c1 ZINC000841100201 618682101 /nfs/dbraw/zinc/68/21/01/618682101.db2.gz GLCRXSABLXJKEM-CQSZACIVSA-N 1 0 280.368 1.341 20 10 CDCDRO COc1c(O)c(CN2CC[NH2+][C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843056984 618691450 /nfs/dbraw/zinc/69/14/50/618691450.db2.gz DODWSTZIOFOBBC-ZJUUUORDSA-N 1 0 295.339 1.491 20 10 CDCDRO CCOc1ccc(C[NH2+]C2(C)CN(C(=O)OC)C2)c(O)c1 ZINC000894543385 618953495 /nfs/dbraw/zinc/95/34/95/618953495.db2.gz WQXQGZXHWNWPKI-UHFFFAOYSA-N 1 0 294.351 1.721 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000894783253 619058529 /nfs/dbraw/zinc/05/85/29/619058529.db2.gz RSGVNCYXVKAMGR-LLVKDONJSA-N 1 0 278.352 1.420 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C3([NH3+])CCC3)CC2)cc1 ZINC000147476452 619126691 /nfs/dbraw/zinc/12/66/91/619126691.db2.gz KDBKBKCURFHOJG-UHFFFAOYSA-N 1 0 289.379 1.225 20 10 CDCDRO Cc1nnc([C@H]2CC[N@H+](Cc3ccccc3O)C2)[nH]1 ZINC000895007538 619205415 /nfs/dbraw/zinc/20/54/15/619205415.db2.gz FABVKUSNNJCJIS-LBPRGKRZSA-N 1 0 258.325 1.808 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788269443 619325879 /nfs/dbraw/zinc/32/58/79/619325879.db2.gz NRFLFQBXIVWNQJ-ZYHUDNBSSA-N 1 0 251.326 1.746 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC2(C)C)c1 ZINC000895315317 619543978 /nfs/dbraw/zinc/54/39/78/619543978.db2.gz DICAYKUCFUXZBK-LBPRGKRZSA-N 1 0 264.325 1.015 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1OC ZINC000895315627 619545334 /nfs/dbraw/zinc/54/53/34/619545334.db2.gz IBEKHPBGHZSGQJ-CYBMUJFWSA-N 1 0 294.351 1.024 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000895750357 619826750 /nfs/dbraw/zinc/82/67/50/619826750.db2.gz ZSXAGSFWIUGRDI-HUUCEWRRSA-N 1 0 279.380 1.974 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCN2C)c1O ZINC000896596326 620161341 /nfs/dbraw/zinc/16/13/41/620161341.db2.gz XJRKGMCOBMHEBA-LBPRGKRZSA-N 1 0 250.342 1.503 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2COC[C@H]2C)cc1OC ZINC000896738091 620218990 /nfs/dbraw/zinc/21/89/90/620218990.db2.gz YEZKPDIRXZYPTH-MWLCHTKSSA-N 1 0 267.325 1.534 20 10 CDCDRO COC[C@]1(CNCc2ccc3c(c2)CCO3)CCC[NH2+]1 ZINC000841067695 621703746 /nfs/dbraw/zinc/70/37/46/621703746.db2.gz ONZDFIGOBPTFKF-MRXNPFEDSA-N 1 0 276.380 1.480 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2CCS(=O)CC2)cc1 ZINC000042336099 622897351 /nfs/dbraw/zinc/89/73/51/622897351.db2.gz YZPSYNPKOIWQRI-UHFFFAOYSA-N 1 0 266.410 1.753 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCN2C)c1O ZINC000903316047 625970303 /nfs/dbraw/zinc/97/03/03/625970303.db2.gz MFMMSGLJHRTKIM-QWRGUYRKSA-N 1 0 250.342 1.756 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000904420796 626295037 /nfs/dbraw/zinc/29/50/37/626295037.db2.gz FRSIYNQVONMUBI-UONOGXRCSA-N 1 0 277.387 1.933 20 10 CDCDRO C[NH+](C)CCCCC(=O)NCc1ccc(O)cc1O ZINC000910953867 629116540 /nfs/dbraw/zinc/11/65/40/629116540.db2.gz HJBGWGNNEZEZMK-UHFFFAOYSA-N 1 0 266.341 1.446 20 10 CDCDRO CNC(=O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921609438 633098701 /nfs/dbraw/zinc/09/87/01/633098701.db2.gz RQOZSCXLAMKPKT-UHFFFAOYSA-N 1 0 262.353 1.627 20 10 CDCDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921779734 633288356 /nfs/dbraw/zinc/28/83/56/633288356.db2.gz AHSOBPPAEJOFIB-OAHLLOKOSA-N 1 0 287.363 1.568 20 10 CDCDRO CN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000921813229 633316252 /nfs/dbraw/zinc/31/62/52/633316252.db2.gz CSDUUSFIVJMJQO-CQSZACIVSA-N 1 0 274.364 1.722 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H](CO)C(C)C ZINC000808421399 1162852247 /nfs/dbraw/zinc/85/22/47/1162852247.db2.gz FQYMDAGVHYNZBK-LLVKDONJSA-N 1 0 253.342 1.755 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001604338465 1163156489 /nfs/dbraw/zinc/15/64/89/1163156489.db2.gz OKXNQVKLCZSEEH-ZYHUDNBSSA-N 1 0 294.351 1.120 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c(O)c1 ZINC000877050130 1165965527 /nfs/dbraw/zinc/96/55/27/1165965527.db2.gz FRDOEXLIZWFEST-CYBMUJFWSA-N 1 0 262.353 1.800 20 10 CDCDRO COCCC[N@H+](CCOC)Cc1ccc(N)cc1 ZINC000042408285 1166065245 /nfs/dbraw/zinc/06/52/45/1166065245.db2.gz GMWNKZONORJBFC-UHFFFAOYSA-N 1 0 252.358 1.754 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C1CC1)c1ccccc1O ZINC000879649315 1166392143 /nfs/dbraw/zinc/39/21/43/1166392143.db2.gz NBWVFDBILBHYKX-YPMHNXCESA-N 1 0 264.369 1.498 20 10 CDCDRO O=C(NCc1c(O)ccc2ccccc21)[C@@]1(F)CC[NH2+]C1 ZINC001580708070 1172519817 /nfs/dbraw/zinc/51/98/17/1172519817.db2.gz IUNZPUGCQQDFNE-MRXNPFEDSA-N 1 0 288.322 1.863 20 10 CDCDRO [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580887925 1172564486 /nfs/dbraw/zinc/56/44/86/1172564486.db2.gz BBBRNVNWPQXCQK-SNVBAGLBSA-N 1 0 284.306 1.281 20 10 CDCDRO CN(C)C(=O)OCC[N@H+](C)Cc1ccccc1O ZINC000159134484 1178236487 /nfs/dbraw/zinc/23/64/87/1178236487.db2.gz WCVSTUCTMBZNLJ-UHFFFAOYSA-N 1 0 252.314 1.522 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000312158508 1186694727 /nfs/dbraw/zinc/69/47/27/1186694727.db2.gz KUPOWPBMJWNCIW-OAHLLOKOSA-N 1 0 278.396 1.774 20 10 CDCDRO OCCOCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000227331486 1164224552 /nfs/dbraw/zinc/22/45/52/1164224552.db2.gz XDNLDIPMPVXBMV-UHFFFAOYSA-N 1 0 278.396 1.775 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCS(C)(=O)=O ZINC000037740555 1165787594 /nfs/dbraw/zinc/78/75/94/1165787594.db2.gz GSCDFOMLJNAJLA-GHMZBOCLSA-N 1 0 283.393 1.883 20 10 CDCDRO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877587862 1166063530 /nfs/dbraw/zinc/06/35/30/1166063530.db2.gz SEABURJFVSTREA-AWEZNQCLSA-N 1 0 292.379 1.237 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(N)cn2)cc1 ZINC000841845637 818004851 /nfs/dbraw/zinc/00/48/51/818004851.db2.gz BWTIPFHZWCKHQY-CQSZACIVSA-N 1 0 299.378 1.160 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@@H]1C[NH2+]CCCO1 ZINC000841087237 818026314 /nfs/dbraw/zinc/02/63/14/818026314.db2.gz RZVPKJGLOTTZFD-JTQLQIEISA-N 1 0 270.760 1.514 20 10 CDCDRO COC[C@@]1(CN[C@@H](C)c2cc(F)ccc2O)CCC[NH2+]1 ZINC000817974929 818028251 /nfs/dbraw/zinc/02/82/51/818028251.db2.gz OKKPUWCRXDYFPX-NHYWBVRUSA-N 1 0 282.359 1.951 20 10 CDCDRO COCCN(C[C@@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000843359233 818047443 /nfs/dbraw/zinc/04/74/43/818047443.db2.gz OAMCIECGSDZSSC-CYBMUJFWSA-N 1 0 294.395 1.766 20 10 CDCDRO CC(C)(CO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000124321940 818061629 /nfs/dbraw/zinc/06/16/29/818061629.db2.gz YLROMEPEBVZIRQ-UHFFFAOYSA-N 1 0 253.298 1.229 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCOC2)cc1 ZINC000832273355 818085480 /nfs/dbraw/zinc/08/54/80/818085480.db2.gz NPOCTBLQTGRZMS-IUODEOHRSA-N 1 0 291.395 1.295 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000382576607 818287278 /nfs/dbraw/zinc/28/72/78/818287278.db2.gz UGCSOLDHPIGHFM-FZMZJTMJSA-N 1 0 253.342 1.749 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccccc1O ZINC000879649123 818330835 /nfs/dbraw/zinc/33/08/35/818330835.db2.gz MHFFZIZBGLDQCO-SECBINFHSA-N 1 0 277.324 1.031 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1OC ZINC000853591325 818332478 /nfs/dbraw/zinc/33/24/78/818332478.db2.gz PVIRYTIGTJVGEB-AAEUAGOBSA-N 1 0 293.363 1.878 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000707937114 818368431 /nfs/dbraw/zinc/36/84/31/818368431.db2.gz GMDGMFVBQLTZLY-LBPRGKRZSA-N 1 0 263.385 1.709 20 10 CDCDRO CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000129426442 818429460 /nfs/dbraw/zinc/42/94/60/818429460.db2.gz KPDXKJKVNJPITP-CVEARBPZSA-N 1 0 290.407 1.772 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000851656136 818455496 /nfs/dbraw/zinc/45/54/96/818455496.db2.gz HLPVRULSSMADFZ-LBPRGKRZSA-N 1 0 290.411 1.476 20 10 CDCDRO [NH3+]C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843047035 818502207 /nfs/dbraw/zinc/50/22/07/818502207.db2.gz DMIQOLQUOAYZBG-UHFFFAOYSA-N 1 0 293.386 1.585 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@H](C)CCO)C2)cc1 ZINC000818342238 818521017 /nfs/dbraw/zinc/52/10/17/818521017.db2.gz NNVDYIHQZSXGLQ-ZIAGYGMSSA-N 1 0 278.396 1.882 20 10 CDCDRO Cc1ccc(C[NH2+]CCN2CCCOCC2)c(O)c1 ZINC000877527665 818535781 /nfs/dbraw/zinc/53/57/81/818535781.db2.gz NHTQIIJWXRKURN-UHFFFAOYSA-N 1 0 264.369 1.513 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(CO)CO)cc1F ZINC000128057069 818620310 /nfs/dbraw/zinc/62/03/10/818620310.db2.gz FOHOBJLAEQPCCA-UHFFFAOYSA-N 1 0 284.375 1.314 20 10 CDCDRO CN1CC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000712580798 818673106 /nfs/dbraw/zinc/67/31/06/818673106.db2.gz PESBTRQBYDLTKX-LLVKDONJSA-N 1 0 285.185 1.948 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(C)cc1O ZINC000877561269 818690917 /nfs/dbraw/zinc/69/09/17/818690917.db2.gz DIWZMZNHBRCFNF-LBPRGKRZSA-N 1 0 286.397 1.118 20 10 CDCDRO COc1cc(Cl)cc(CNC[C@H]2CCC[NH2+]2)c1O ZINC000841035275 818702708 /nfs/dbraw/zinc/70/27/08/818702708.db2.gz JOJKIMSJLLBIIS-LLVKDONJSA-N 1 0 270.760 1.896 20 10 CDCDRO Cc1ccc(C[NH2+]CCNC(=O)c2ccco2)c(O)c1 ZINC000876909688 818728878 /nfs/dbraw/zinc/72/88/78/818728878.db2.gz FKKXWUVJRUKTLA-UHFFFAOYSA-N 1 0 274.320 1.813 20 10 CDCDRO COc1c([O-])c(C[N@H+](C)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000846109675 818762550 /nfs/dbraw/zinc/76/25/50/818762550.db2.gz GOGDIHORVLOBIR-SECBINFHSA-N 1 0 284.312 1.512 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c(O)c1 ZINC000815616389 818830168 /nfs/dbraw/zinc/83/01/68/818830168.db2.gz NKRUKDFDMAXOQX-CJNGLKHVSA-N 1 0 278.396 1.726 20 10 CDCDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(O)c1O ZINC000819923194 818830191 /nfs/dbraw/zinc/83/01/91/818830191.db2.gz WYOLFXQWVZBJSC-NSHDSACASA-N 1 0 292.379 1.900 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C(C)(C)CN2CCOCC2)cc1 ZINC000308640648 818845830 /nfs/dbraw/zinc/84/58/30/818845830.db2.gz UWQRDWFYBKYJBY-UHFFFAOYSA-N 1 0 291.439 1.953 20 10 CDCDRO OCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000184371538 818872701 /nfs/dbraw/zinc/87/27/01/818872701.db2.gz SJOKNURGBNNYMW-UHFFFAOYSA-N 1 0 265.309 1.373 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)c2c1c(F)ccc2O ZINC000858546948 818941483 /nfs/dbraw/zinc/94/14/83/818941483.db2.gz BJFPSVWJTNVURJ-DMDPSCGWSA-N 1 0 294.370 1.736 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(O)c1 ZINC000841981976 818953008 /nfs/dbraw/zinc/95/30/08/818953008.db2.gz LWPYHWQABTZFCO-NEPJUHHUSA-N 1 0 293.367 1.470 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCN2CC[C@@H](C)C2)cc1OC ZINC000777483254 818977958 /nfs/dbraw/zinc/97/79/58/818977958.db2.gz KINOWXRHMWRFKZ-GFCCVEGCSA-N 1 0 294.395 1.841 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848925703 818986666 /nfs/dbraw/zinc/98/66/66/818986666.db2.gz DDDDJHGHVAKHPM-GFCCVEGCSA-N 1 0 272.352 1.476 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NC(C)C)c1 ZINC000228933916 819007100 /nfs/dbraw/zinc/00/71/00/819007100.db2.gz CUGUDPAYJAOKOV-NSHDSACASA-N 1 0 250.342 1.703 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N2CC[NH2+]CC2)cc1OC ZINC000213423542 819011223 /nfs/dbraw/zinc/01/12/23/819011223.db2.gz FZGRSZPHAXQFCZ-UHFFFAOYSA-N 1 0 267.285 1.022 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2C)c1O ZINC000843347804 819132139 /nfs/dbraw/zinc/13/21/39/819132139.db2.gz OFOAUKRHSROBPO-VIFPVBQESA-N 1 0 266.316 1.528 20 10 CDCDRO Cc1nocc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507028 819155843 /nfs/dbraw/zinc/15/58/43/819155843.db2.gz UATODDYBDPHWNY-AWEZNQCLSA-N 1 0 288.351 1.479 20 10 CDCDRO CCOc1ccc(C[NH2+]C2([C@@H](C)O)CC2)c(O)c1 ZINC000827579521 819163388 /nfs/dbraw/zinc/16/33/88/819163388.db2.gz FLKXTRPWOAYNDR-SNVBAGLBSA-N 1 0 251.326 1.794 20 10 CDCDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc(O)c1O ZINC000126306946 819173498 /nfs/dbraw/zinc/17/34/98/819173498.db2.gz BILNMOFJUKGVAF-NSHDSACASA-N 1 0 266.341 1.414 20 10 CDCDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1O ZINC000163015834 819206458 /nfs/dbraw/zinc/20/64/58/819206458.db2.gz SCXFPIKMALFBDR-UHFFFAOYSA-N 1 0 271.382 1.649 20 10 CDCDRO C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C[NH3+] ZINC000843052197 819213834 /nfs/dbraw/zinc/21/38/34/819213834.db2.gz PCFGBJYNQUGFJY-CMPLNLGQSA-N 1 0 278.352 1.680 20 10 CDCDRO C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180765351 819286711 /nfs/dbraw/zinc/28/67/11/819286711.db2.gz XVSWKNUODROATJ-VUDGCMKMSA-N 1 0 290.363 1.569 20 10 CDCDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1O ZINC000809768645 819346051 /nfs/dbraw/zinc/34/60/51/819346051.db2.gz RPDMGOXESLOVBR-CYBMUJFWSA-N 1 0 271.332 1.749 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000877499253 819353370 /nfs/dbraw/zinc/35/33/70/819353370.db2.gz DIWPXWPTAODJQG-NSHDSACASA-N 1 0 269.366 1.320 20 10 CDCDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877614430 819397017 /nfs/dbraw/zinc/39/70/17/819397017.db2.gz DDJDDIJOWKAFFU-AWEZNQCLSA-N 1 0 292.423 1.850 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CC[NH2+]2)cc1 ZINC000826019577 819405523 /nfs/dbraw/zinc/40/55/23/819405523.db2.gz HPKFMSQCUCVEBO-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185177438 819470260 /nfs/dbraw/zinc/47/02/60/819470260.db2.gz ZORZGLMQOBWCOC-UHFFFAOYSA-N 1 0 291.395 1.091 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1OC ZINC000783738994 819485643 /nfs/dbraw/zinc/48/56/43/819485643.db2.gz DQSKYJJPXPUWPF-ABAIWWIYSA-N 1 0 279.336 1.224 20 10 CDCDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000817896705 819574624 /nfs/dbraw/zinc/57/46/24/819574624.db2.gz QBZDZQXVJHIJGW-HUUCEWRRSA-N 1 0 291.395 1.136 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NCC[NH2+]CC ZINC000841935430 819577467 /nfs/dbraw/zinc/57/74/67/819577467.db2.gz UZXLFWLGZIUTGT-UHFFFAOYSA-N 1 0 279.384 1.923 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000818545332 819601024 /nfs/dbraw/zinc/60/10/24/819601024.db2.gz YOYKLJVSAGAMAZ-GFCCVEGCSA-N 1 0 283.322 1.172 20 10 CDCDRO COc1ccc(CNC(=O)CC(C)(C)[NH3+])c(O)c1 ZINC000832177544 819633042 /nfs/dbraw/zinc/63/30/42/819633042.db2.gz AECDXASFLZMBEC-UHFFFAOYSA-N 1 0 252.314 1.144 20 10 CDCDRO Cn1nccc1[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883144486 819695939 /nfs/dbraw/zinc/69/59/39/819695939.db2.gz QIWFBBLMIUWJAJ-NSHDSACASA-N 1 0 283.278 1.227 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000826994571 819800853 /nfs/dbraw/zinc/80/08/53/819800853.db2.gz KWHUXCXVIJIRND-LLVKDONJSA-N 1 0 292.335 1.427 20 10 CDCDRO CCOc1ccc(CN2C[C@H](CO)OC[C@H]2C)c(O)c1 ZINC000770350137 819814551 /nfs/dbraw/zinc/81/45/51/819814551.db2.gz FLVGEYUSMQTZIK-BXUZGUMPSA-N 1 0 281.352 1.373 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H](C[NH3+])CC(C)C)c(O)c1 ZINC000841955170 819864495 /nfs/dbraw/zinc/86/44/95/819864495.db2.gz ZXTBXHBGHXJDQA-GFCCVEGCSA-N 1 0 295.383 1.573 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000857062150 819876008 /nfs/dbraw/zinc/87/60/08/819876008.db2.gz YRVRYROPGWHQKS-NEPJUHHUSA-N 1 0 265.353 1.851 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)c1conc1C(C)(C)[NH3+] ZINC000848397777 819886679 /nfs/dbraw/zinc/88/66/79/819886679.db2.gz LJTBYJAMOFOVPD-UHFFFAOYSA-N 1 0 289.335 1.846 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccn[nH]3)cc2)CC1 ZINC000881850108 819934738 /nfs/dbraw/zinc/93/47/38/819934738.db2.gz NUYKBRJIRNRETB-UHFFFAOYSA-N 1 0 299.378 1.092 20 10 CDCDRO COc1cccc(O)c1CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000843105627 820043531 /nfs/dbraw/zinc/04/35/31/820043531.db2.gz TVOHIOFXDFEXER-CYBMUJFWSA-N 1 0 264.369 1.831 20 10 CDCDRO CN1CCC(CCO)([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000848557260 820054191 /nfs/dbraw/zinc/05/41/91/820054191.db2.gz DAEHBWWBOXLGAE-UHFFFAOYSA-N 1 0 290.407 1.558 20 10 CDCDRO C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817936733 820155888 /nfs/dbraw/zinc/15/58/88/820155888.db2.gz QSBZWNVXDMWZOA-SECBINFHSA-N 1 0 265.313 1.703 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000808436930 820653701 /nfs/dbraw/zinc/65/37/01/820653701.db2.gz FTWAKOVJKUJEOT-ZDUSSCGKSA-N 1 0 296.436 1.966 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c(O)c1 ZINC000877466218 820695251 /nfs/dbraw/zinc/69/52/51/820695251.db2.gz FGYKVQZFJSJWHD-DGCLKSJQSA-N 1 0 251.326 1.282 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC2(CO)COC2)c1O ZINC000846154625 820805302 /nfs/dbraw/zinc/80/53/02/820805302.db2.gz BPWXVFQHAWCANH-SNVBAGLBSA-N 1 0 267.325 1.060 20 10 CDCDRO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648872 820821025 /nfs/dbraw/zinc/82/10/25/820821025.db2.gz FKMYJCDJYIBMAG-VXGBXAGGSA-N 1 0 280.368 1.584 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883404218 820884525 /nfs/dbraw/zinc/88/45/25/820884525.db2.gz TYVWUUADDLXRAZ-HNNXBMFYSA-N 1 0 287.407 1.853 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1O ZINC000070169535 821035279 /nfs/dbraw/zinc/03/52/79/821035279.db2.gz MBHKMQAMCPCLTP-LBPRGKRZSA-N 1 0 264.369 1.962 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cc1OC ZINC000857062308 821042200 /nfs/dbraw/zinc/04/22/00/821042200.db2.gz ZWGXQNQBCNUXFN-YPMHNXCESA-N 1 0 295.379 1.860 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])N3CCC3)C2)cc1 ZINC000849043397 821067366 /nfs/dbraw/zinc/06/73/66/821067366.db2.gz BNVBLSAMOGKOFR-CYBMUJFWSA-N 1 0 288.395 1.752 20 10 CDCDRO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)[NH2+]1 ZINC000843049127 821105234 /nfs/dbraw/zinc/10/52/34/821105234.db2.gz FXWGMYMTJWSIJZ-UWVGGRQHSA-N 1 0 264.325 1.303 20 10 CDCDRO CCc1cccc(C[N@H+](CC)CCOCCO)c1O ZINC000848909014 821316311 /nfs/dbraw/zinc/31/63/11/821316311.db2.gz IGXLZSYJZPNHFZ-UHFFFAOYSA-N 1 0 267.369 1.785 20 10 CDCDRO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000841651747 821435441 /nfs/dbraw/zinc/43/54/41/821435441.db2.gz AEMZNVWUXSXTIG-LLVKDONJSA-N 1 0 264.373 1.241 20 10 CDCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]C(C)C)C2)cc(OC)n1 ZINC001022368736 821626744 /nfs/dbraw/zinc/62/67/44/821626744.db2.gz YWNMBTAAYNGKPE-TXEJJXNPSA-N 1 0 293.367 1.358 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccccc1O ZINC000838911906 821751837 /nfs/dbraw/zinc/75/18/37/821751837.db2.gz BSIAGQJKUAXLQK-DGCLKSJQSA-N 1 0 262.353 1.959 20 10 CDCDRO C[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779516150 821804463 /nfs/dbraw/zinc/80/44/63/821804463.db2.gz VGVANUPAVQXSES-PZBABLGHSA-N 1 0 276.336 1.321 20 10 CDCDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)c2ccc(N)cc2)C1(C)C ZINC000877077279 821843413 /nfs/dbraw/zinc/84/34/13/821843413.db2.gz BIXKDZXCIICQPK-CJNGLKHVSA-N 1 0 291.395 1.764 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000841946106 821849623 /nfs/dbraw/zinc/84/96/23/821849623.db2.gz GHLRDBBVKGOFSM-RNCFNFMXSA-N 1 0 293.367 1.498 20 10 CDCDRO C[C@H](NC[C@@H](O)C[NH+](C)C)c1c(O)cccc1F ZINC000886524337 821861945 /nfs/dbraw/zinc/86/19/45/821861945.db2.gz ISLXPONXEYVKGQ-VHSXEESVSA-N 1 0 256.321 1.104 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(Cl)cc1O ZINC000841765272 821864027 /nfs/dbraw/zinc/86/40/27/821864027.db2.gz WYTLMGVPBKQZRF-MWLCHTKSSA-N 1 0 272.776 1.619 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1ncnn1C ZINC000877591527 821876218 /nfs/dbraw/zinc/87/62/18/821876218.db2.gz DZOBVEVOWQTBJV-CYBMUJFWSA-N 1 0 287.411 1.910 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1cccc(OCC)c1O ZINC000036780425 822073813 /nfs/dbraw/zinc/07/38/13/822073813.db2.gz PIOBYRWQANDINQ-UHFFFAOYSA-N 1 0 252.314 1.017 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccccc1O ZINC000872141038 822089901 /nfs/dbraw/zinc/08/99/01/822089901.db2.gz IVTVOBCKNLZANU-YRGRVCCFSA-N 1 0 251.326 1.583 20 10 CDCDRO Oc1c(C[NH2+]C[C@@]2(O)CCOC2)ccc2ccccc21 ZINC000816558853 822111294 /nfs/dbraw/zinc/11/12/94/822111294.db2.gz NNHVLYHQOXOECH-INIZCTEOSA-N 1 0 273.332 1.786 20 10 CDCDRO C[C@@H](O)C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000848928962 822260191 /nfs/dbraw/zinc/26/01/91/822260191.db2.gz QMPIZTVPVMXWPT-SECBINFHSA-N 1 0 265.309 1.466 20 10 CDCDRO C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C[NH3+] ZINC000843052200 822267876 /nfs/dbraw/zinc/26/78/76/822267876.db2.gz PCFGBJYNQUGFJY-ZYHUDNBSSA-N 1 0 278.352 1.680 20 10 CDCDRO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCOC1 ZINC000120182826 822315499 /nfs/dbraw/zinc/31/54/99/822315499.db2.gz LKQRORAVPMBWQE-INIZCTEOSA-N 1 0 294.370 1.931 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)C[C@@H]21 ZINC000793656321 822376307 /nfs/dbraw/zinc/37/63/07/822376307.db2.gz SGLODACEJHAFOD-NHAGDIPZSA-N 1 0 275.348 1.860 20 10 CDCDRO NC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000841088551 822383398 /nfs/dbraw/zinc/38/33/98/822383398.db2.gz ZFTIOAPDVNVDGG-GFCCVEGCSA-N 1 0 278.352 1.728 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)c(O)c1 ZINC000793385450 822383667 /nfs/dbraw/zinc/38/36/67/822383667.db2.gz BATMBWGSGZRGMX-UHFFFAOYSA-N 1 0 292.360 1.851 20 10 CDCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877572981 822436266 /nfs/dbraw/zinc/43/62/66/822436266.db2.gz VAHJXLVWYYKACP-CXAGYDPISA-N 1 0 290.407 1.603 20 10 CDCDRO Cc1cccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c1O ZINC000124796962 822467509 /nfs/dbraw/zinc/46/75/09/822467509.db2.gz XXLISEFHRFDCFX-UHFFFAOYSA-N 1 0 286.397 1.118 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CC[NH2+]C1 ZINC000841939040 822486804 /nfs/dbraw/zinc/48/68/04/822486804.db2.gz KRKGVSKJXXSBHZ-GFCCVEGCSA-N 1 0 289.379 1.432 20 10 CDCDRO C[C@H](Nc1nc(N)[nH+]c(N)n1)c1ccc(N(C)C)cc1 ZINC000858488378 822511569 /nfs/dbraw/zinc/51/15/69/822511569.db2.gz RVBRXZCJBSRUJU-QMMMGPOBSA-N 1 0 273.344 1.275 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H](O)COCC(C)C)c(O)c1 ZINC000876966576 822544911 /nfs/dbraw/zinc/54/49/11/822544911.db2.gz WROUBABSTGUYNC-AWEZNQCLSA-N 1 0 267.369 1.824 20 10 CDCDRO C[C@H](CO)[N@H+](C)Cc1ccc(Br)cc1O ZINC000825922294 822553821 /nfs/dbraw/zinc/55/38/21/822553821.db2.gz OHRVZANPFPSKPQ-MRVPVSSYSA-N 1 0 274.158 1.967 20 10 CDCDRO COc1cc(Cl)cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841080710 822585668 /nfs/dbraw/zinc/58/56/68/822585668.db2.gz PQADTYFXSCDASU-IAZYJMLFSA-N 1 0 268.744 1.362 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000844166692 822632662 /nfs/dbraw/zinc/63/26/62/822632662.db2.gz PTMAUHWGFRKBJY-CYBMUJFWSA-N 1 0 297.349 1.614 20 10 CDCDRO COC[C@H](O)C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819379360 822635899 /nfs/dbraw/zinc/63/58/99/822635899.db2.gz GEXNWTBDJXOBGW-DZGCQCFKSA-N 1 0 294.395 1.118 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206221598 912993670 /nfs/dbraw/zinc/99/36/70/912993670.db2.gz IFOCKFZUAPCOAL-GFCCVEGCSA-N 1 0 290.285 1.866 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CN(C)C(=O)CO3)c1 ZINC001272622333 914195359 /nfs/dbraw/zinc/19/53/59/914195359.db2.gz DXYCBJWQISQOMJ-INIZCTEOSA-N 1 0 290.363 1.134 20 10 CDCDRO CCN1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000722356438 901020034 /nfs/dbraw/zinc/02/00/34/901020034.db2.gz PPGMXVSZTYNZIS-QWHCGFSZSA-N 1 0 274.364 1.980 20 10 CDCDRO COc1cc(O)c(CN2CC[C@](C)([NH3+])C2)c(Cl)c1 ZINC001204800604 906812046 /nfs/dbraw/zinc/81/20/46/906812046.db2.gz FLLQFHRJFPAVGE-ZDUSSCGKSA-N 1 0 270.760 1.977 20 10 CDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC1=O ZINC001172027992 911140619 /nfs/dbraw/zinc/14/06/19/911140619.db2.gz DWVDOGULXXNUGV-LLVKDONJSA-N 1 0 264.325 1.198 20 10 CDCDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000182527583 917322416 /nfs/dbraw/zinc/32/24/16/917322416.db2.gz MGDQXMDOYJOZQE-LBPRGKRZSA-N 1 0 292.379 1.963 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137832596 936417935 /nfs/dbraw/zinc/41/79/35/936417935.db2.gz APVXFECWPJHIFT-VIFPVBQESA-N 1 0 253.273 1.526 20 10 CDCDRO CC[C@H](OC)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124555894 917433291 /nfs/dbraw/zinc/43/32/91/917433291.db2.gz DYXUHPIVPDYWCV-AWEZNQCLSA-N 1 0 294.395 1.634 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CC12CC2 ZINC001203562080 918392570 /nfs/dbraw/zinc/39/25/70/918392570.db2.gz DBLOXXOJXGAMDY-LBPRGKRZSA-N 1 0 261.321 1.777 20 10 CDCDRO CN1CCCc2cc(CN3CC([NH+](C)C)C3)ccc21 ZINC001138354760 936525111 /nfs/dbraw/zinc/52/51/11/936525111.db2.gz TUTAFVQNHNRXTA-UHFFFAOYSA-N 1 0 259.397 1.815 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(C)=O)CCO2)cc1C ZINC001051382265 936571004 /nfs/dbraw/zinc/57/10/04/936571004.db2.gz YQICCUKYMKIXFJ-OAHLLOKOSA-N 1 0 292.379 1.341 20 10 CDCDRO O=C(C[NH2+][C@@H]1CCSC1)c1ccc(O)c(O)c1 ZINC001255271728 936590147 /nfs/dbraw/zinc/59/01/47/936590147.db2.gz GUKPXUBWIOCFIL-SECBINFHSA-N 1 0 253.323 1.376 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2=O)cc1 ZINC001273527701 920167727 /nfs/dbraw/zinc/16/77/27/920167727.db2.gz ZUTGRRIXXHBPIA-QGZVFWFLSA-N 1 0 287.407 1.807 20 10 CDCDRO OCCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140057422 936675240 /nfs/dbraw/zinc/67/52/40/936675240.db2.gz HBGJYPIXNFAVMO-UHFFFAOYSA-N 1 0 268.332 1.031 20 10 CDCDRO Cc1ccc(C)c(CN2CCOC[C@@H]2C[NH+](C)C)c1O ZINC001140184278 936684884 /nfs/dbraw/zinc/68/48/84/936684884.db2.gz QEWMQNKSQXBMDX-AWEZNQCLSA-N 1 0 278.396 1.771 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140183700 936685018 /nfs/dbraw/zinc/68/50/18/936685018.db2.gz HLCFCHGHHMOPHP-CYBMUJFWSA-N 1 0 262.353 1.719 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]Cc2cnnn2C)c1O ZINC000394888506 936688595 /nfs/dbraw/zinc/68/85/95/936688595.db2.gz FYVCFNJYSLNJAG-UHFFFAOYSA-N 1 0 282.731 1.473 20 10 CDCDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1ccccn1 ZINC000834521322 936692916 /nfs/dbraw/zinc/69/29/16/936692916.db2.gz GUSIGTYDFUZSHN-SNVBAGLBSA-N 1 0 272.352 1.566 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000835060052 936715448 /nfs/dbraw/zinc/71/54/48/936715448.db2.gz IFEOKEMIMMYJGC-HNNXBMFYSA-N 1 0 278.352 1.549 20 10 CDCDRO CCN1CCO[C@@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC001140620578 936732155 /nfs/dbraw/zinc/73/21/55/936732155.db2.gz TVOZDJUKGOQJEC-DOTOQJQBSA-N 1 0 290.407 1.853 20 10 CDCDRO Cc1c(O)ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC001140745899 936749195 /nfs/dbraw/zinc/74/91/95/936749195.db2.gz PHRFHPZRCZFACI-ZDUSSCGKSA-N 1 0 262.353 1.686 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1Cl ZINC001140924186 936776646 /nfs/dbraw/zinc/77/66/46/936776646.db2.gz NZPFSOVGLXAOIU-UHFFFAOYSA-N 1 0 283.803 1.974 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+](C)CC2)c(OC)c1 ZINC001141031950 936795708 /nfs/dbraw/zinc/79/57/08/936795708.db2.gz OGIREYPVBAQWBF-UHFFFAOYSA-N 1 0 266.341 1.157 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1O ZINC001141140194 936818490 /nfs/dbraw/zinc/81/84/90/936818490.db2.gz JAWHUCQELKMMRD-FZMZJTMJSA-N 1 0 262.353 1.328 20 10 CDCDRO CCCN(CC(=O)OCC)Cc1cc(O)ccc1O ZINC001141160774 936823267 /nfs/dbraw/zinc/82/32/67/936823267.db2.gz HXIDVXCCGZEWCU-UHFFFAOYSA-N 1 0 267.325 1.873 20 10 CDCDRO C[C@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC001120677327 937824868 /nfs/dbraw/zinc/82/48/68/937824868.db2.gz NRKOXJHIJNJAIZ-GWCFXTLKSA-N 1 0 262.357 1.148 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000843119741 937113965 /nfs/dbraw/zinc/11/39/65/937113965.db2.gz GRDVQDOCVIFFSV-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000843122235 937114514 /nfs/dbraw/zinc/11/45/14/937114514.db2.gz PMACNLTXCZMHER-MRXNPFEDSA-N 1 0 299.422 1.633 20 10 CDCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(N)cc1 ZINC000843489721 937155841 /nfs/dbraw/zinc/15/58/41/937155841.db2.gz KZIZHRHJJDRZFC-OAHLLOKOSA-N 1 0 275.396 1.610 20 10 CDCDRO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccccc1O ZINC000783517673 937274586 /nfs/dbraw/zinc/27/45/86/937274586.db2.gz HUKHSRXIGOELJD-LLVKDONJSA-N 1 0 283.393 1.868 20 10 CDCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000783747087 937279872 /nfs/dbraw/zinc/27/98/72/937279872.db2.gz ZSESDZQKRZGXEX-MFKMUULPSA-N 1 0 253.729 1.860 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1OC ZINC000788268913 929500983 /nfs/dbraw/zinc/50/09/83/929500983.db2.gz INYVAHPWGJCSNW-KOLCDFICSA-N 1 0 267.325 1.365 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCCF)cc2)CC1 ZINC000881854326 929908090 /nfs/dbraw/zinc/90/80/90/929908090.db2.gz BSEMBTFMGOOMMI-UHFFFAOYSA-N 1 0 293.386 1.804 20 10 CDCDRO Cn1cc(C[NH2+]Cc2ccc3ccccc3c2O)nn1 ZINC000816567262 930316739 /nfs/dbraw/zinc/31/67/39/930316739.db2.gz VTEZSICIQSXLRM-UHFFFAOYSA-N 1 0 268.320 1.964 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)cc1 ZINC000817280258 930484697 /nfs/dbraw/zinc/48/46/97/930484697.db2.gz BDLJKYOEIGOYOL-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1 ZINC000817413272 930530101 /nfs/dbraw/zinc/53/01/01/930530101.db2.gz VKJSBPCBLQYBAY-VXGBXAGGSA-N 1 0 265.353 1.851 20 10 CDCDRO C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817962236 930646799 /nfs/dbraw/zinc/64/67/99/930646799.db2.gz JRWUZZZIAWIAFR-BDAKNGLRSA-N 1 0 253.302 1.546 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc(OCC)c(C)c1 ZINC001170994903 931185749 /nfs/dbraw/zinc/18/57/49/931185749.db2.gz CFDQYGUTDOEOEE-UHFFFAOYSA-N 1 0 280.368 1.722 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1 ZINC001275311877 931731512 /nfs/dbraw/zinc/73/15/12/931731512.db2.gz RUXWKQIWKNLYHU-OKILXGFUSA-N 1 0 262.353 1.215 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@]1(C)O ZINC001144503817 931863980 /nfs/dbraw/zinc/86/39/80/931863980.db2.gz DTIJJIGUSNOAQH-XPTSAGLGSA-N 1 0 267.325 1.396 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144503840 931864228 /nfs/dbraw/zinc/86/42/28/931864228.db2.gz FIVVBIGAZTVGAT-SECBINFHSA-N 1 0 265.309 1.604 20 10 CDCDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000158901566 934306179 /nfs/dbraw/zinc/30/61/79/934306179.db2.gz HPSRHDGBMWGMPJ-CYBMUJFWSA-N 1 0 261.369 1.269 20 10 CDCDRO CCN1CCC[N@H+](Cc2cc(OC)c(C)cc2O)CC1=O ZINC000189203737 934454762 /nfs/dbraw/zinc/45/47/62/934454762.db2.gz ZUBMHEXYLLDUBD-UHFFFAOYSA-N 1 0 292.379 1.763 20 10 CDCDRO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(F)cc1[O-] ZINC000381743250 935749389 /nfs/dbraw/zinc/74/93/89/935749389.db2.gz ZUJBMZYHTDXGMB-SNVBAGLBSA-N 1 0 264.304 1.864 20 10 CDCDRO Oc1ccc(CNc2ncc3c(n2)CC[NH2+]C3)cc1O ZINC001158994503 938685725 /nfs/dbraw/zinc/68/57/25/938685725.db2.gz MHIIGTPZBRHAPM-UHFFFAOYSA-N 1 0 272.308 1.146 20 10 CDCDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001160872333 938834860 /nfs/dbraw/zinc/83/48/60/938834860.db2.gz JVBLZDQQRACASQ-YPMHNXCESA-N 1 0 274.364 1.665 20 10 CDCDRO C[C@]1(C(=O)N2CCc3cccc(O)c3C2)CCC[NH2+]1 ZINC001160872054 938834956 /nfs/dbraw/zinc/83/49/56/938834956.db2.gz GSJAGOHKCRGXEL-OAHLLOKOSA-N 1 0 260.337 1.419 20 10 CDCDRO Nc1ccc(CNc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC001162787570 939138676 /nfs/dbraw/zinc/13/86/76/939138676.db2.gz NKFISWPKGOGQOM-UHFFFAOYSA-N 1 0 283.379 1.686 20 10 CDCDRO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC001203550034 939692590 /nfs/dbraw/zinc/69/25/90/939692590.db2.gz FZGOYVZXONAFPW-CORIIIEPSA-N 1 0 263.337 1.364 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2ccccc2O)Cc2cn(C)nc21 ZINC001203551728 939692733 /nfs/dbraw/zinc/69/27/33/939692733.db2.gz LRDKDAKQYICCCI-CQSZACIVSA-N 1 0 287.363 1.872 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203601659 939695435 /nfs/dbraw/zinc/69/54/35/939695435.db2.gz FVHGEAXRAVLPHZ-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO O=C1NCC[C@]12CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203650784 939699595 /nfs/dbraw/zinc/69/95/95/939699595.db2.gz BVBKZAYNKFMAIL-CQSZACIVSA-N 1 0 280.755 1.758 20 10 CDCDRO O=C1NCC[C@@]12CCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274006 939750368 /nfs/dbraw/zinc/75/03/68/939750368.db2.gz YEHUHMMRKHMOSB-OAHLLOKOSA-N 1 0 276.336 1.200 20 10 CDCDRO Oc1ccc(C[NH+]2CCN(CCF)CC2)c(O)c1 ZINC001204277803 939751263 /nfs/dbraw/zinc/75/12/63/939751263.db2.gz ANTLJSLQMGWZIT-UHFFFAOYSA-N 1 0 254.305 1.185 20 10 CDCDRO O=C1CCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)N1 ZINC001204277759 939751319 /nfs/dbraw/zinc/75/13/19/939751319.db2.gz KVWPEWYDAOBBJG-UHFFFAOYSA-N 1 0 276.336 1.342 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCC1(F)F ZINC001204277239 939751544 /nfs/dbraw/zinc/75/15/44/939751544.db2.gz WZSLHQPUEJLUJE-SNVBAGLBSA-N 1 0 273.279 1.547 20 10 CDCDRO C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001205280861 939877159 /nfs/dbraw/zinc/87/71/59/939877159.db2.gz KNWHSHGXWAYTIN-HNNXBMFYSA-N 1 0 278.352 1.794 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2cc3ccccc3cc2O)C[C@H]1O ZINC001205370052 939886306 /nfs/dbraw/zinc/88/63/06/939886306.db2.gz LKMHKBADWQWCMD-UKRRQHHQSA-N 1 0 258.321 1.049 20 10 CDCDRO c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)c2c(n1)NCC2 ZINC001205600313 939907491 /nfs/dbraw/zinc/90/74/91/939907491.db2.gz KPWFSILOIVYULA-UHFFFAOYSA-N 1 0 280.375 1.769 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001205789065 939936728 /nfs/dbraw/zinc/93/67/28/939936728.db2.gz VFKODUPDUYHLRK-VIFPVBQESA-N 1 0 288.294 1.219 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001205972812 939962623 /nfs/dbraw/zinc/96/26/23/939962623.db2.gz 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Oc1cc(O)c(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc1O ZINC001233486245 943594217 /nfs/dbraw/zinc/59/42/17/943594217.db2.gz FDQDQFQPXJGJPK-FHYCKABGSA-N 1 0 277.320 1.413 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@H]12 ZINC001233487602 943595337 /nfs/dbraw/zinc/59/53/37/943595337.db2.gz KSATXVPJLUKQBF-ONGXEEELSA-N 1 0 277.320 1.604 20 10 CDCDRO CN(Cc1cncnc1)Cc1cc(O)c(O)cc1O ZINC001233487919 943596159 /nfs/dbraw/zinc/59/61/59/943596159.db2.gz WWEZEFCUICCPAC-UHFFFAOYSA-N 1 0 261.281 1.225 20 10 CDCDRO Cc1cc(Cl)cc(CN2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235059215 944034058 /nfs/dbraw/zinc/03/40/58/944034058.db2.gz CLUJESCJTSLDGY-OAHLLOKOSA-N 1 0 295.814 1.491 20 10 CDCDRO CN1CCOc2cc(CN3CC[NH2+]C(C)(C)C3)ccc21 ZINC001235834619 944290599 /nfs/dbraw/zinc/29/05/99/944290599.db2.gz OZJWCSDEIDGMFM-UHFFFAOYSA-N 1 0 275.396 1.699 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)ccc1O ZINC001236196617 944426813 /nfs/dbraw/zinc/42/68/13/944426813.db2.gz LTVWQKCMDBGGFR-MNOVXSKESA-N 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ZINC001249172455 949441919 /nfs/dbraw/zinc/44/19/19/949441919.db2.gz MTEOJDWBWCMPJK-JSGCOSHPSA-N 1 0 297.326 1.012 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC001249174038 949443197 /nfs/dbraw/zinc/44/31/97/949443197.db2.gz YEQAHUQDPJBJLU-VXGBXAGGSA-N 1 0 293.363 1.717 20 10 CDCDRO CCOC[C@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001252029224 951071220 /nfs/dbraw/zinc/07/12/20/951071220.db2.gz PMCIYEWYQLSENI-CYBMUJFWSA-N 1 0 253.342 1.612 20 10 CDCDRO CCCCOC[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001252534281 951421552 /nfs/dbraw/zinc/42/15/52/951421552.db2.gz OPAHHASCQOEYSD-LBPRGKRZSA-N 1 0 269.341 1.365 20 10 CDCDRO [NH3+]CCCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001327416998 954869447 /nfs/dbraw/zinc/86/94/47/954869447.db2.gz XDBTUCLLGGHOEL-UHFFFAOYSA-N 1 0 273.720 1.782 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001328918092 955553578 /nfs/dbraw/zinc/55/35/78/955553578.db2.gz IFHZPPQVANNTJO-IUODEOHRSA-N 1 0 259.353 1.151 20 10 CDCDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)C1=CC(=O)CS1 ZINC001304527095 956199944 /nfs/dbraw/zinc/19/99/44/956199944.db2.gz ZVDAATBYZFCMIU-JTQLQIEISA-N 1 0 266.366 1.525 20 10 CDCDRO COC(=O)[C@]1(C[NH2+]Cc2ccc(Cl)cc2O)CCOC1 ZINC001308987123 956610878 /nfs/dbraw/zinc/61/08/78/956610878.db2.gz QRCYNMSPAKEJDY-AWEZNQCLSA-N 1 0 299.754 1.715 20 10 CDCDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(O)ccc2O)N1 ZINC001317910484 957811665 /nfs/dbraw/zinc/81/16/65/957811665.db2.gz RFUFEUNTSMMCPH-CYBMUJFWSA-N 1 0 295.302 1.944 20 10 CDCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCNC1=O ZINC001334272840 958988298 /nfs/dbraw/zinc/98/82/98/958988298.db2.gz YQFRGSOWHFIYSD-LLVKDONJSA-N 1 0 294.351 1.120 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c(O)c1OC ZINC001335049841 959548563 /nfs/dbraw/zinc/54/85/63/959548563.db2.gz CHSUSKDYERTULO-MRXNPFEDSA-N 1 0 293.363 1.756 20 10 CDCDRO COc1ccc(C[N@H+]2CC[C@H](OC)C2)c(O)c1OC ZINC001336687389 960468612 /nfs/dbraw/zinc/46/86/12/960468612.db2.gz VXQBLFGUMTYZPE-NSHDSACASA-N 1 0 267.325 1.630 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCOC3)c(O)c1 ZINC001343547963 964035301 /nfs/dbraw/zinc/03/53/01/964035301.db2.gz PMMWZJUIYGVQLM-NSHDSACASA-N 1 0 288.351 1.673 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001344820647 964446172 /nfs/dbraw/zinc/44/61/72/964446172.db2.gz BHDSMHSUNNPGQF-BXKDBHETSA-N 1 0 266.316 1.536 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H]2C[NH2+]CC2(C)C)c(O)c1 ZINC001346674297 965206279 /nfs/dbraw/zinc/20/62/79/965206279.db2.gz BFYDXIIMTMJRDR-ZDUSSCGKSA-N 1 0 293.367 1.198 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001353664983 968133500 /nfs/dbraw/zinc/13/35/00/968133500.db2.gz DQCKQTIOVWSXGP-NUEKZKHPSA-N 1 0 287.407 1.852 20 10 CDCDRO Nc1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1 ZINC001356083405 969329166 /nfs/dbraw/zinc/32/91/66/969329166.db2.gz ONJBWOQGSGCCBX-MRXNPFEDSA-N 1 0 268.364 1.810 20 10 CDCDRO CC(C)([NH3+])CNC(=O)NCc1c(O)cccc1F ZINC001575358385 1171158470 /nfs/dbraw/zinc/15/84/70/1171158470.db2.gz PPPUKBIMWWCPOP-UHFFFAOYSA-N 1 0 255.293 1.068 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)cc1 ZINC000090850004 342397735 /nfs/dbraw/zinc/39/77/35/342397735.db2.gz LAJHQRNASUSJGC-CZUORRHYSA-N 1 0 278.396 1.945 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CC[C@H](C)O)c1 ZINC000093481794 342428846 /nfs/dbraw/zinc/42/88/46/342428846.db2.gz XGLPQJGRKOXJSX-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO CC(C)C[N@H+](CC(N)=O)Cc1cc(F)ccc1O ZINC000179938377 357232547 /nfs/dbraw/zinc/23/25/47/357232547.db2.gz TXUDKXZUNAKWBR-UHFFFAOYSA-N 1 0 254.305 1.475 20 10 CDCDRO COCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000058203443 357384855 /nfs/dbraw/zinc/38/48/55/357384855.db2.gz VGPNCFBXUPJOCU-UHFFFAOYSA-N 1 0 250.342 1.464 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000185802643 357578312 /nfs/dbraw/zinc/57/83/12/357578312.db2.gz UKXKOQKHHKBLMQ-QWRGUYRKSA-N 1 0 278.352 1.700 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H](C)O1 ZINC000188380529 357888010 /nfs/dbraw/zinc/88/80/10/357888010.db2.gz LEDIYIZOYMLEKS-JSGCOSHPSA-N 1 0 265.353 1.936 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188697934 357927959 /nfs/dbraw/zinc/92/79/59/357927959.db2.gz PGUVZDQYQXKLTN-WCQYABFASA-N 1 0 265.332 1.069 20 10 CDCDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(C)c(O)c1O ZINC000188956637 357955904 /nfs/dbraw/zinc/95/59/04/357955904.db2.gz XSBAHWZIWLBJGP-UHFFFAOYSA-N 1 0 280.368 1.820 20 10 CDCDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000294914531 199245541 /nfs/dbraw/zinc/24/55/41/199245541.db2.gz AJJCSJZOVKZJNO-MRXNPFEDSA-N 1 0 293.363 1.712 20 10 CDCDRO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000365277258 359238687 /nfs/dbraw/zinc/23/86/87/359238687.db2.gz INIBYCNEEZERTL-KGLIPLIRSA-N 1 0 275.348 1.962 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(C)c(C)cc1O ZINC000093103126 360290368 /nfs/dbraw/zinc/29/03/68/360290368.db2.gz QJZYZYVPSURPIA-OLZOCXBDSA-N 1 0 279.336 1.117 20 10 CDCDRO COC[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)OC ZINC000230672274 360338264 /nfs/dbraw/zinc/33/82/64/360338264.db2.gz UAXGCNQWTMEHAN-GXSJLCMTSA-N 1 0 257.305 1.843 20 10 CDCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000281292232 363793746 /nfs/dbraw/zinc/79/37/46/363793746.db2.gz YDPDAXLAHSQJRQ-SECBINFHSA-N 1 0 287.356 1.759 20 10 CDCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000269242764 364167075 /nfs/dbraw/zinc/16/70/75/364167075.db2.gz RSRFFAMNJPOMNL-OAHLLOKOSA-N 1 0 291.395 1.123 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)C[S@](C)=O)cc1C ZINC000168210846 364970103 /nfs/dbraw/zinc/97/01/03/364970103.db2.gz QFJPEUAHOYCPTI-PIGZYNQJSA-N 1 0 255.383 1.860 20 10 CDCDRO C[N@H+]1CC=C(CNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272626158 365326395 /nfs/dbraw/zinc/32/63/95/365326395.db2.gz JQMXOUMSCBAADU-HWKANZROSA-N 1 0 288.347 1.489 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccccc1O ZINC000272879865 365429992 /nfs/dbraw/zinc/42/99/92/365429992.db2.gz QJWLOSXRTNEXMX-HZMBPMFUSA-N 1 0 261.325 1.510 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c1 ZINC000273364271 365488769 /nfs/dbraw/zinc/48/87/69/365488769.db2.gz BBQTUSFAZCXCEH-GHMZBOCLSA-N 1 0 276.340 1.732 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000273460904 365497855 /nfs/dbraw/zinc/49/78/55/365497855.db2.gz CQWVZAXEUSOEDU-BMIGLBTASA-N 1 0 291.351 1.519 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c(O)c1 ZINC000282489949 367910358 /nfs/dbraw/zinc/91/03/58/367910358.db2.gz HQLDOZVVKANRTR-GHMZBOCLSA-N 1 0 268.332 1.825 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000375734141 370942305 /nfs/dbraw/zinc/94/23/05/370942305.db2.gz VSOUUTBFYGFBJH-QGZVFWFLSA-N 1 0 289.423 1.659 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccccc1O ZINC000294110513 370947181 /nfs/dbraw/zinc/94/71/81/370947181.db2.gz KAXYYQKDTMCZGB-MBNYWOFBSA-N 1 0 265.353 1.973 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000295322668 371216475 /nfs/dbraw/zinc/21/64/75/371216475.db2.gz ZDELAMZRMYKOQI-KGLIPLIRSA-N 1 0 261.369 1.316 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000019899923 1172571919 /nfs/dbraw/zinc/57/19/19/1172571919.db2.gz SVIHVIKTPBTPEO-ZJUUUORDSA-N 1 0 255.339 1.230 20 10 CDCDRO Nc1ccc(CC(=O)N(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000370794424 390515332 /nfs/dbraw/zinc/51/53/32/390515332.db2.gz WMDJOMSHZPINAH-UHFFFAOYSA-N 1 0 273.380 1.554 20 10 CDCDRO O=C(C1CC1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000119096484 390839902 /nfs/dbraw/zinc/83/99/02/390839902.db2.gz FCBKRMNSEPFDQF-UHFFFAOYSA-N 1 0 292.354 1.976 20 10 CDCDRO CC[C@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+](C)C ZINC000122780710 390906681 /nfs/dbraw/zinc/90/66/81/390906681.db2.gz DGHXBTNMUPXUOE-LLVKDONJSA-N 1 0 266.341 1.097 20 10 CDCDRO CN(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971011 390915477 /nfs/dbraw/zinc/91/54/77/390915477.db2.gz ARIMWMSSWBEFMN-AWEZNQCLSA-N 1 0 292.379 1.461 20 10 CDCDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000373237194 391111736 /nfs/dbraw/zinc/11/17/36/391111736.db2.gz OPZJMPQWXCIMFU-LBPRGKRZSA-N 1 0 261.369 1.463 20 10 CDCDRO Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)c(O)c1O ZINC000177673805 391173791 /nfs/dbraw/zinc/17/37/91/391173791.db2.gz HWLGXEBIJGMMPO-UHFFFAOYSA-N 1 0 290.363 1.574 20 10 CDCDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1O ZINC000376412183 391229229 /nfs/dbraw/zinc/22/92/29/391229229.db2.gz HDLJYKARIUZIBJ-YPMHNXCESA-N 1 0 290.363 1.797 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000195008197 391374441 /nfs/dbraw/zinc/37/44/41/391374441.db2.gz RBTOWCASOPMXHD-UFBFGSQYSA-N 1 0 298.770 1.668 20 10 CDCDRO CCN(CC[NH2+]Cc1cccc(OC)c1O)C1CC1 ZINC000227550786 393212387 /nfs/dbraw/zinc/21/23/87/393212387.db2.gz QTVIIJXXWGFKEP-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000289188035 292478904 /nfs/dbraw/zinc/47/89/04/292478904.db2.gz BDKCKVHMDQICGA-UHFFFAOYSA-N 1 0 296.367 1.131 20 10 CDCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(O)c1O ZINC000126309687 260349413 /nfs/dbraw/zinc/34/94/13/260349413.db2.gz JUPSRSGBGJQDHD-NSHDSACASA-N 1 0 278.352 1.702 20 10 CDCDRO OC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000154573668 261093126 /nfs/dbraw/zinc/09/31/26/261093126.db2.gz UIJNPTSTSYGWGZ-JTQLQIEISA-N 1 0 265.309 1.325 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(C)(=O)=O)cc1 ZINC000164780622 261358687 /nfs/dbraw/zinc/35/86/87/261358687.db2.gz MWZCPNDHXYKHNC-GFCCVEGCSA-N 1 0 284.425 1.838 20 10 CDCDRO CC(C)C(=O)NCC[N@H+](C)Cc1cc(F)ccc1O ZINC000180289959 261852300 /nfs/dbraw/zinc/85/23/00/261852300.db2.gz RMMFZWKMZLKTBV-UHFFFAOYSA-N 1 0 268.332 1.735 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](O)C1)OCO2 ZINC000188797484 264250121 /nfs/dbraw/zinc/25/01/21/264250121.db2.gz OTNZEVLVQHBULE-ONGXEEELSA-N 1 0 265.309 1.372 20 10 CDCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000370398075 267316788 /nfs/dbraw/zinc/31/67/88/267316788.db2.gz GLDHMZCQMFULHC-DLBZAZTESA-N 1 0 290.407 1.604 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H](C)C2)cc1OC ZINC000371365378 267396104 /nfs/dbraw/zinc/39/61/04/267396104.db2.gz DPEAHDNEGZMSSN-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO CC(C)[C@@H](C[NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000433147236 330153556 /nfs/dbraw/zinc/15/35/56/330153556.db2.gz CDJBWTWHGOYIGL-CYBMUJFWSA-N 1 0 291.395 1.709 20 10 CDCDRO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(N(C)C)cc1 ZINC000274807143 334783996 /nfs/dbraw/zinc/78/39/96/334783996.db2.gz PQHMFGZALPAPBT-NSHDSACASA-N 1 0 259.357 1.732 20 10 CDCDRO CCCNC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000036780923 519880423 /nfs/dbraw/zinc/88/04/23/519880423.db2.gz ZCZVYHYHEPBTRG-JTQLQIEISA-N 1 0 266.341 1.578 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1F ZINC000299467614 522199419 /nfs/dbraw/zinc/19/94/19/522199419.db2.gz AUERJAHPZKKNCX-AWEZNQCLSA-N 1 0 279.359 1.602 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000282616319 522201053 /nfs/dbraw/zinc/20/10/53/522201053.db2.gz LRRFDPMTLXQGOJ-HNNXBMFYSA-N 1 0 291.395 1.123 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070577457 522203740 /nfs/dbraw/zinc/20/37/40/522203740.db2.gz CEBYSDILFHCGAC-KBPBESRZSA-N 1 0 275.396 1.886 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000234866486 522303337 /nfs/dbraw/zinc/30/33/37/522303337.db2.gz CITWNFYSUKFYEH-SNVBAGLBSA-N 1 0 290.157 1.252 20 10 CDCDRO CC[C@@H]([NH2+]CC[C@@H](O)COC)c1ccccc1O ZINC000156986910 522840212 /nfs/dbraw/zinc/84/02/12/522840212.db2.gz AYGOYPXRRFWQIT-DGCLKSJQSA-N 1 0 253.342 1.830 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000093529316 522870704 /nfs/dbraw/zinc/87/07/04/522870704.db2.gz LSBBDSNNJNIQHQ-CYBMUJFWSA-N 1 0 251.326 1.548 20 10 CDCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000278204370 523505417 /nfs/dbraw/zinc/50/54/17/523505417.db2.gz GWLOVLCCASLAGH-CQSZACIVSA-N 1 0 291.395 1.049 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000237882640 527475268 /nfs/dbraw/zinc/47/52/68/527475268.db2.gz WMCPDIKMCJFRLB-MRXNPFEDSA-N 1 0 287.407 1.898 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000052060280 527475905 /nfs/dbraw/zinc/47/59/05/527475905.db2.gz IQIOMEAXTYJYCL-UHFFFAOYSA-N 1 0 287.407 1.898 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)Cn2cncn2)c1O ZINC000725849154 574444482 /nfs/dbraw/zinc/44/44/82/574444482.db2.gz JFSOWZDGRCSWJL-JTQLQIEISA-N 1 0 262.313 1.171 20 10 CDCDRO COc1c(O)c(CN2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000774861005 575247075 /nfs/dbraw/zinc/24/70/75/575247075.db2.gz DCQYINXUTKBQAR-UHFFFAOYSA-N 1 0 295.339 1.493 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000765795586 576056623 /nfs/dbraw/zinc/05/66/23/576056623.db2.gz KDDNUAQWJJCMHJ-MNOVXSKESA-N 1 0 292.335 1.125 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000765798047 576056625 /nfs/dbraw/zinc/05/66/25/576056625.db2.gz UKVWZQSVAHZLRZ-STQMWFEESA-N 1 0 262.353 1.705 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)CC(=O)N(C)C)c(O)c1 ZINC000768308145 576270891 /nfs/dbraw/zinc/27/08/91/576270891.db2.gz NZZLJPLJDYYPJD-UHFFFAOYSA-N 1 0 280.368 1.701 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(N)=O)cc1 ZINC000741677892 576567148 /nfs/dbraw/zinc/56/71/48/576567148.db2.gz DWVFFKOQIBWIEY-LBPRGKRZSA-N 1 0 263.385 1.838 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000742375016 576598613 /nfs/dbraw/zinc/59/86/13/576598613.db2.gz KUHPGLPMUBVXQN-NEPJUHHUSA-N 1 0 264.369 1.973 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000763466602 576738349 /nfs/dbraw/zinc/73/83/49/576738349.db2.gz KGTZDXGXTFBPGB-AWEZNQCLSA-N 1 0 295.379 1.668 20 10 CDCDRO CCC[N@H+](CC)CCNC(=O)C1=CC(=O)CS1 ZINC000746702738 576789531 /nfs/dbraw/zinc/78/95/31/576789531.db2.gz YPRKKSGANIMEHD-UHFFFAOYSA-N 1 0 256.371 1.915 20 10 CDCDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)N(C)C)CC2)c1 ZINC000754726066 576912532 /nfs/dbraw/zinc/91/25/32/576912532.db2.gz MOGWZMREMAUUJD-UHFFFAOYSA-N 1 0 291.395 1.808 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC[NH+]2CCC2)cc1 ZINC000752622342 577115639 /nfs/dbraw/zinc/11/56/39/577115639.db2.gz GCHVXVICHLMVKJ-UHFFFAOYSA-N 1 0 276.384 1.258 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892019501 617413497 /nfs/dbraw/zinc/41/34/97/617413497.db2.gz QIZHYHFZVUSPAT-JQWIXIFHSA-N 1 0 265.357 1.736 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000840882312 617517239 /nfs/dbraw/zinc/51/72/39/617517239.db2.gz IQFZQFMGTZIPNU-NSHDSACASA-N 1 0 283.393 1.928 20 10 CDCDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892168519 617521722 /nfs/dbraw/zinc/52/17/22/617521722.db2.gz FBKIVRBOHZGKCZ-PWSUYJOCSA-N 1 0 275.352 1.545 20 10 CDCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000892667919 617573893 /nfs/dbraw/zinc/57/38/93/617573893.db2.gz DIPZMIPWHHSPKJ-CYBMUJFWSA-N 1 0 292.379 1.564 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CCO)C2CC2)c(O)c1OC ZINC000893038036 618082603 /nfs/dbraw/zinc/08/26/03/618082603.db2.gz VEUQKNXMDKSLTJ-LBPRGKRZSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1O ZINC000840976440 617977148 /nfs/dbraw/zinc/97/71/48/617977148.db2.gz BWKGEKGSEXZCND-WCQYABFASA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(C[NH2+]CC2(CO)CCC2)c(O)c1OC ZINC000893534451 618047801 /nfs/dbraw/zinc/04/78/01/618047801.db2.gz MDYOMNHRTXUDON-UHFFFAOYSA-N 1 0 281.352 1.662 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](C)C[C@H](C)O)c(O)c1OC ZINC000893043102 618095299 /nfs/dbraw/zinc/09/52/99/618095299.db2.gz SUMQZDOCRVPOJP-MNOVXSKESA-N 1 0 283.368 1.906 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)c(O)c1OC ZINC000894066545 618332264 /nfs/dbraw/zinc/33/22/64/618332264.db2.gz LGVUNQCZNSNBDR-LBPRGKRZSA-N 1 0 283.368 1.906 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1ccc(N(C)C)c(F)c1 ZINC000841064256 618679479 /nfs/dbraw/zinc/67/94/79/618679479.db2.gz AMCWZFXJQWPXDQ-LLVKDONJSA-N 1 0 253.365 1.979 20 10 CDCDRO COC[C@]1(CNCc2ccc(N(C)C)c(F)c2)CCC[NH2+]1 ZINC000841067577 618680201 /nfs/dbraw/zinc/68/02/01/618680201.db2.gz NHFWGZYOLIPDHY-MRXNPFEDSA-N 1 0 295.402 1.750 20 10 CDCDRO COC[C@]1(CNCc2ccc(N(C)C)cc2C)CCC[NH2+]1 ZINC000841067871 618680597 /nfs/dbraw/zinc/68/05/97/618680597.db2.gz QBPDGPCYNARWLH-QGZVFWFLSA-N 1 0 291.439 1.919 20 10 CDCDRO Cc1cc(Br)cc(CN(C)CC[NH3+])c1O ZINC000841101247 618682977 /nfs/dbraw/zinc/68/29/77/618682977.db2.gz UBFVDGHUYOEDCO-UHFFFAOYSA-N 1 0 273.174 1.854 20 10 CDCDRO Nc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1 ZINC000843293641 618700493 /nfs/dbraw/zinc/70/04/93/618700493.db2.gz TVOUAPWLANQWFH-UHFFFAOYSA-N 1 0 285.351 1.183 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCc2cnccn2)c1O ZINC000894371400 618827766 /nfs/dbraw/zinc/82/77/66/618827766.db2.gz ANLAZZKUPMRCMJ-UHFFFAOYSA-N 1 0 273.336 1.832 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@@H](C)CO)c(O)c1OC ZINC000894463497 618898971 /nfs/dbraw/zinc/89/89/71/618898971.db2.gz HYROAYVTMBVONJ-VIFPVBQESA-N 1 0 255.314 1.222 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000894643678 619002767 /nfs/dbraw/zinc/00/27/67/619002767.db2.gz RYYIWVKPUVDHCM-TZMCWYRMSA-N 1 0 295.379 1.444 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CCC(N)=O)c1O ZINC000894755212 619044035 /nfs/dbraw/zinc/04/40/35/619044035.db2.gz OSLLGPNTFBCLMB-UHFFFAOYSA-N 1 0 252.314 1.016 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894917149 619142990 /nfs/dbraw/zinc/14/29/90/619142990.db2.gz KSMJGECCECAKEK-JTQLQIEISA-N 1 0 266.341 1.323 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CC(C)=NO2)c1O ZINC000895312049 619540927 /nfs/dbraw/zinc/54/09/27/619540927.db2.gz STSGCIRJFAGCKU-NSHDSACASA-N 1 0 250.298 1.655 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000895749287 619823120 /nfs/dbraw/zinc/82/31/20/619823120.db2.gz QHRUAYUPEFYTPA-UONOGXRCSA-N 1 0 265.353 1.720 20 10 CDCDRO CC[C@H](COC)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046161 621590158 /nfs/dbraw/zinc/59/01/58/621590158.db2.gz XEJUNLUIWXTUBC-HIFRSBDPSA-N 1 0 265.401 1.767 20 10 CDCDRO C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C(N)=O ZINC000042411932 623890780 /nfs/dbraw/zinc/89/07/80/623890780.db2.gz ZVYIDCXZCUJHBI-ZCFIWIBFSA-N 1 0 273.130 1.118 20 10 CDCDRO CCOCc1cc(CNCC2([NH3+])CC2)ccc1OC ZINC000904451216 626300622 /nfs/dbraw/zinc/30/06/22/626300622.db2.gz WUOGJPHFVIYKOJ-UHFFFAOYSA-N 1 0 264.369 1.813 20 10 CDCDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910951105 629115552 /nfs/dbraw/zinc/11/55/52/629115552.db2.gz BHPNSAWIJWDKMJ-CYBMUJFWSA-N 1 0 278.352 1.588 20 10 CDCDRO Cc1cc(CN2C[C@@H]3CC[C@]3([NH3+])C2)ccc1N(C)C ZINC001235984904 1161200685 /nfs/dbraw/zinc/20/06/85/1161200685.db2.gz BMHXKBZNTMIRNX-HOCLYGCPSA-N 1 0 259.397 1.984 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1Cl ZINC000826123028 1166405286 /nfs/dbraw/zinc/40/52/86/1166405286.db2.gz CQEHHTFZHVFDHN-AAEUAGOBSA-N 1 0 285.771 1.529 20 10 CDCDRO CC(C)[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000036190676 828450584 /nfs/dbraw/zinc/45/05/84/828450584.db2.gz AHVVFMJLFDIUFQ-UHFFFAOYSA-N 1 0 262.357 1.827 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000863544663 822663669 /nfs/dbraw/zinc/66/36/69/822663669.db2.gz AVTAJHJWDZIPEM-HOCLYGCPSA-N 1 0 277.412 1.782 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cccc(C)c1O ZINC000701612534 822724179 /nfs/dbraw/zinc/72/41/79/822724179.db2.gz FLZJGWNBRZIEMO-UHFFFAOYSA-N 1 0 252.314 1.488 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+]Cc1cc(F)ccc1O ZINC000792194933 822768921 /nfs/dbraw/zinc/76/89/21/822768921.db2.gz BHTBEJDFGCIPJN-ZDUSSCGKSA-N 1 0 287.331 1.035 20 10 CDCDRO OCCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834851274 828545515 /nfs/dbraw/zinc/54/55/15/828545515.db2.gz WBTGTMCZIWTVGK-LSDHHAIUSA-N 1 0 290.407 1.816 20 10 CDCDRO COCCN1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840909914 823776000 /nfs/dbraw/zinc/77/60/00/823776000.db2.gz NAFSYRFENQUFSB-UHFFFAOYSA-N 1 0 291.439 1.825 20 10 CDCDRO COCCO[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000783714801 823805834 /nfs/dbraw/zinc/80/58/34/823805834.db2.gz DGZUFHKGAMUUSB-LBPRGKRZSA-N 1 0 281.352 1.638 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000788269008 823814358 /nfs/dbraw/zinc/81/43/58/823814358.db2.gz KCLGKVDJDZLQNF-CZUORRHYSA-N 1 0 276.380 1.478 20 10 CDCDRO Nc1ccc(NC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000048995960 823858168 /nfs/dbraw/zinc/85/81/68/823858168.db2.gz ILBSCSNVDLTLOS-UHFFFAOYSA-N 1 0 274.368 1.828 20 10 CDCDRO OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000929969600 823914498 /nfs/dbraw/zinc/91/44/98/823914498.db2.gz OEMJIDBPZKTNOG-ZDUSSCGKSA-N 1 0 277.320 1.341 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(Cl)cc1O ZINC000841752579 823931312 /nfs/dbraw/zinc/93/13/12/823931312.db2.gz BPPIUAXASONCCS-GXSJLCMTSA-N 1 0 296.758 1.349 20 10 CDCDRO COC[C@@H](O)C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819379361 823942485 /nfs/dbraw/zinc/94/24/85/823942485.db2.gz GEXNWTBDJXOBGW-HIFRSBDPSA-N 1 0 294.395 1.118 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)c(O)c1 ZINC000877494387 824058492 /nfs/dbraw/zinc/05/84/92/824058492.db2.gz VRMDMRJVQUVYDE-LLVKDONJSA-N 1 0 264.325 1.159 20 10 CDCDRO CC[C@H]([NH2+]C[C@@](C)(O)COC)c1ccccc1O ZINC000382563263 824077804 /nfs/dbraw/zinc/07/78/04/824077804.db2.gz MQXHDOJWDCUFOA-GXTWGEPZSA-N 1 0 253.342 1.830 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([NH3+])CC2)c1 ZINC000843490039 824083717 /nfs/dbraw/zinc/08/37/17/824083717.db2.gz WAEUWMGGDXKMQS-MRVPVSSYSA-N 1 0 250.298 1.069 20 10 CDCDRO CCC[NH+]1CCN(Cc2cccc(OC)c2O)CC1 ZINC000131695737 824103808 /nfs/dbraw/zinc/10/38/08/824103808.db2.gz ANIOLMUVHRRKEF-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO C[C@@H](C[NH3+])C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841049226 824105053 /nfs/dbraw/zinc/10/50/53/824105053.db2.gz OMWVXEQKJIYVQY-QMMMGPOBSA-N 1 0 273.174 1.839 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+][C@@H](C)C2)cc1OC ZINC000775638851 824146436 /nfs/dbraw/zinc/14/64/36/824146436.db2.gz JDTLFYBCYPUNFU-JTQLQIEISA-N 1 0 266.341 1.203 20 10 CDCDRO COc1cc(Cl)cc(CN2CCC[C@@H]([NH3+])C2)c1O ZINC000229102530 824154115 /nfs/dbraw/zinc/15/41/15/824154115.db2.gz YMMPRSILUBEASQ-LLVKDONJSA-N 1 0 270.760 1.977 20 10 CDCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)C(F)(F)F ZINC000809751288 824219016 /nfs/dbraw/zinc/21/90/16/824219016.db2.gz PPHXHILAIIMNAC-SNVBAGLBSA-N 1 0 267.222 1.886 20 10 CDCDRO COCC1(C)C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000839143930 824261970 /nfs/dbraw/zinc/26/19/70/824261970.db2.gz RZVKLHYBLDBZIG-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000383794600 824347328 /nfs/dbraw/zinc/34/73/28/824347328.db2.gz NGDDVYINARVCSQ-GFCCVEGCSA-N 1 0 285.338 1.694 20 10 CDCDRO COc1c(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000873216901 824367293 /nfs/dbraw/zinc/36/72/93/824367293.db2.gz UGSQCAHIUSMDLP-PHIMTYICSA-N 1 0 293.323 1.245 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CC[NH2+]C1 ZINC000841939041 824367571 /nfs/dbraw/zinc/36/75/71/824367571.db2.gz KRKGVSKJXXSBHZ-LBPRGKRZSA-N 1 0 289.379 1.432 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cc(Cl)ccc1O ZINC000840805060 824428230 /nfs/dbraw/zinc/42/82/30/824428230.db2.gz LNJSIUJGOFEQDV-ONGXEEELSA-N 1 0 296.758 1.349 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H](C)CC(N)=O)C2)cc1 ZINC000818345921 824483875 /nfs/dbraw/zinc/48/38/75/824483875.db2.gz YCZBHTOQWBCXKV-OLZOCXBDSA-N 1 0 291.395 1.375 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666212 824484489 /nfs/dbraw/zinc/48/44/89/824484489.db2.gz BVLMDAAUXHLRDG-UWVGGRQHSA-N 1 0 266.341 1.434 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c(O)c1 ZINC000841983619 824516887 /nfs/dbraw/zinc/51/68/87/824516887.db2.gz DWFPIXJIZXZDKW-ZYHUDNBSSA-N 1 0 293.367 1.341 20 10 CDCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000886240746 824630123 /nfs/dbraw/zinc/63/01/23/824630123.db2.gz BUWSRBJPHCPGTE-XGBSXSJOSA-N 1 0 290.407 1.651 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000848398748 824756602 /nfs/dbraw/zinc/75/66/02/824756602.db2.gz WKZPDFPHFAVMLO-BBRMVZONSA-N 1 0 274.364 1.740 20 10 CDCDRO Cc1cc(O)c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000826139654 824772609 /nfs/dbraw/zinc/77/26/09/824772609.db2.gz JSFJFKCIZWLGEN-CYBMUJFWSA-N 1 0 296.798 1.605 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2ccccc2=O)c1 ZINC000775369961 828702243 /nfs/dbraw/zinc/70/22/43/828702243.db2.gz CTANRMFOBKLLOH-GFCCVEGCSA-N 1 0 288.347 1.913 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000827700012 824803274 /nfs/dbraw/zinc/80/32/74/824803274.db2.gz NXJGWVWPNUUKOU-NHYWBVRUSA-N 1 0 265.353 1.851 20 10 CDCDRO C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964740 824832405 /nfs/dbraw/zinc/83/24/05/824832405.db2.gz GOHGYUKCCIFSDX-MRVPVSSYSA-N 1 0 251.286 1.170 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[NH2+]C)cc1 ZINC000851655848 824843072 /nfs/dbraw/zinc/84/30/72/824843072.db2.gz ZSZROFQYJXZOJL-ZDUSSCGKSA-N 1 0 292.427 1.940 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841965479 824844839 /nfs/dbraw/zinc/84/48/39/824844839.db2.gz GPUQZVDQBZFMHK-GFCCVEGCSA-N 1 0 263.341 1.271 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000858549473 824866889 /nfs/dbraw/zinc/86/68/89/824866889.db2.gz XHYMRHQKIMRXLS-RHSMWYFYSA-N 1 0 291.439 1.860 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000036977243 824878240 /nfs/dbraw/zinc/87/82/40/824878240.db2.gz DSPZUPKNSRWCRE-GFCCVEGCSA-N 1 0 278.352 1.549 20 10 CDCDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1O ZINC000783507667 824893403 /nfs/dbraw/zinc/89/34/03/824893403.db2.gz DJLPPFWOJDRNIF-STQMWFEESA-N 1 0 264.369 1.764 20 10 CDCDRO CCC([NH3+])(CC)CNC(=O)NCc1cccc(OC)c1O ZINC000841954270 824908879 /nfs/dbraw/zinc/90/88/79/824908879.db2.gz KLTFUJYJJXKZOC-UHFFFAOYSA-N 1 0 295.383 1.718 20 10 CDCDRO CC(C)C[C@H](C[NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000852795397 824936131 /nfs/dbraw/zinc/93/61/31/824936131.db2.gz HOKWJENIXILIHQ-AWEZNQCLSA-N 1 0 277.412 1.939 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000812299994 824936409 /nfs/dbraw/zinc/93/64/09/824936409.db2.gz RTYDBGKRBQQSDL-AWEZNQCLSA-N 1 0 295.379 1.947 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000778917553 825049656 /nfs/dbraw/zinc/04/96/56/825049656.db2.gz FUPXMRBVMZGQDS-UHFFFAOYSA-N 1 0 252.314 1.056 20 10 CDCDRO Nc1nc(NCc2c(O)ccc3c2CCCC3)nc(N)[nH+]1 ZINC000858426860 825052685 /nfs/dbraw/zinc/05/26/85/825052685.db2.gz VDLXZFLNXIWYGM-UHFFFAOYSA-N 1 0 286.339 1.233 20 10 CDCDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000841058503 825065196 /nfs/dbraw/zinc/06/51/96/825065196.db2.gz IEIPKBILJFJUOG-BXUZGUMPSA-N 1 0 265.376 1.979 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H](O)C(F)(F)F ZINC000809751604 825116459 /nfs/dbraw/zinc/11/64/59/825116459.db2.gz TYLFMGTZBNMSJC-NSHDSACASA-N 1 0 293.241 1.476 20 10 CDCDRO C[C@@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+](C)C ZINC000855415444 825128428 /nfs/dbraw/zinc/12/84/28/825128428.db2.gz ICMLLSPWIKIZRL-ZRQQLDRUSA-N 1 0 278.352 1.567 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1c(O)cccc1OC)OC ZINC000781414764 825156040 /nfs/dbraw/zinc/15/60/40/825156040.db2.gz BRVXFQFYDIZUME-SNVBAGLBSA-N 1 0 255.314 1.152 20 10 CDCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853121173 825218961 /nfs/dbraw/zinc/21/89/61/825218961.db2.gz AYHQVUNDQLCPPN-CHWSQXEVSA-N 1 0 278.396 1.507 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000841946105 828754387 /nfs/dbraw/zinc/75/43/87/828754387.db2.gz GHLRDBBVKGOFSM-NOZJJQNGSA-N 1 0 293.367 1.498 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846170030 825262071 /nfs/dbraw/zinc/26/20/71/825262071.db2.gz UWHQJILLIKPFFI-ZKYQVNSYSA-N 1 0 281.352 1.855 20 10 CDCDRO COCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399896 825280095 /nfs/dbraw/zinc/28/00/95/825280095.db2.gz RTGGAALUBGRCKL-UHFFFAOYSA-N 1 0 252.358 1.710 20 10 CDCDRO CCOC[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045824 825340475 /nfs/dbraw/zinc/34/04/75/825340475.db2.gz QYEFEDNWTVKUMW-DOMZBBRYSA-N 1 0 265.401 1.767 20 10 CDCDRO CCC[NH2+]CCNC(=O)N(C)Cc1ccccc1O ZINC000841961121 825345057 /nfs/dbraw/zinc/34/50/57/825345057.db2.gz LGDGZOQBJLKROD-UHFFFAOYSA-N 1 0 265.357 1.533 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)C(F)(F)F ZINC000865712217 825369355 /nfs/dbraw/zinc/36/93/55/825369355.db2.gz YBMXLDKPVOVWLL-KBUNVGBDSA-N 1 0 293.241 1.522 20 10 CDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877549895 828781837 /nfs/dbraw/zinc/78/18/37/828781837.db2.gz JUGRQDDCOVNLTM-MRXNPFEDSA-N 1 0 290.407 1.868 20 10 CDCDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000923008864 825457121 /nfs/dbraw/zinc/45/71/21/825457121.db2.gz YWZHKCMTTOONCV-HDJSIYSDSA-N 1 0 294.370 1.523 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(C)OCCO2)c1O ZINC000716904222 828786081 /nfs/dbraw/zinc/78/60/81/828786081.db2.gz VOEQOGHLGDFBCQ-UHFFFAOYSA-N 1 0 251.326 1.807 20 10 CDCDRO CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1O ZINC000821392193 825510229 /nfs/dbraw/zinc/51/02/29/825510229.db2.gz VKAHNUVTFVRJLV-AWEZNQCLSA-N 1 0 266.385 1.525 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000122880423 825566482 /nfs/dbraw/zinc/56/64/82/825566482.db2.gz OVZHXFUBTYLCIE-CQSZACIVSA-N 1 0 281.308 1.016 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)c(O)c1 ZINC000877433646 825620796 /nfs/dbraw/zinc/62/07/96/825620796.db2.gz GQRHWHTYOXEAOP-HNNXBMFYSA-N 1 0 261.321 1.982 20 10 CDCDRO CN1CCCc2cc(CNC3=[NH+]CCCN3C)ccc21 ZINC000848998946 825845525 /nfs/dbraw/zinc/84/55/25/825845525.db2.gz JKENTNGCQPSTAA-UHFFFAOYSA-N 1 0 272.396 1.850 20 10 CDCDRO CC[C@H](C(=O)N[C@H](C)c1ccccc1O)[NH+](C)C ZINC000827937439 825850478 /nfs/dbraw/zinc/85/04/78/825850478.db2.gz WTLPLAVKDLSMPN-ZYHUDNBSSA-N 1 0 250.342 1.910 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1 ZINC000036794240 825864806 /nfs/dbraw/zinc/86/48/06/825864806.db2.gz CNTXMKCFECEOCA-ZJUUUORDSA-N 1 0 266.341 1.528 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])[C@H](C)O ZINC000834886273 825978967 /nfs/dbraw/zinc/97/89/67/825978967.db2.gz BDXFYSZTYUUJHD-KWBADKCTSA-N 1 0 281.352 1.989 20 10 CDCDRO CC[S@](=O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148190 826001048 /nfs/dbraw/zinc/00/10/48/826001048.db2.gz XQCFLJQXFVXPCM-MGNBDDOMSA-N 1 0 271.382 1.820 20 10 CDCDRO OC[C@]1([C@H]([NH2+]Cc2ccccc2O)C2CC2)CCCO1 ZINC000816667103 826067353 /nfs/dbraw/zinc/06/73/53/826067353.db2.gz CMRSCMJDLWFJIT-CVEARBPZSA-N 1 0 277.364 1.802 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CCn2cccn2)c1 ZINC000180222315 826082400 /nfs/dbraw/zinc/08/24/00/826082400.db2.gz VZXIVQGJPPMRKZ-UHFFFAOYSA-N 1 0 261.325 1.729 20 10 CDCDRO CON(C)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000883171401 826141852 /nfs/dbraw/zinc/14/18/52/826141852.db2.gz XIAMTGKDACBESJ-UHFFFAOYSA-N 1 0 273.327 1.614 20 10 CDCDRO Cc1cccc(O)c1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000876516020 826158750 /nfs/dbraw/zinc/15/87/50/826158750.db2.gz ISFKXQRZOYRVGS-CYBMUJFWSA-N 1 0 264.369 1.463 20 10 CDCDRO COc1cc(Cl)cc(CN(C)[C@H]2CC[NH2+]C2)c1O ZINC000229103465 826172145 /nfs/dbraw/zinc/17/21/45/826172145.db2.gz QHGMXRKPQKKSBQ-NSHDSACASA-N 1 0 270.760 1.848 20 10 CDCDRO CCN(CC)c1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1 ZINC000843068829 826228500 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[NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCc1ccccc1O ZINC001219923455 941396732 /nfs/dbraw/zinc/39/67/32/941396732.db2.gz NVIKJJYSZUABDS-AWEZNQCLSA-N 1 0 286.331 1.284 20 10 CDCDRO O=C(NCC(F)F)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277441157 942575936 /nfs/dbraw/zinc/57/59/36/942575936.db2.gz ICIUWRFCICEOFV-NSHDSACASA-N 1 0 296.317 1.595 20 10 CDCDRO CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)[O-])cc1O ZINC001231454163 942899349 /nfs/dbraw/zinc/89/93/49/942899349.db2.gz OOOYSJKPDZCXPL-UHFFFAOYSA-N 1 0 280.368 1.864 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)cc1O ZINC001231633216 942949510 /nfs/dbraw/zinc/94/95/10/942949510.db2.gz LECOCQDCYKBNHK-HNNXBMFYSA-N 1 0 279.336 1.861 20 10 CDCDRO COc1cc(CN2CC[C@H]([NH+](C)C)C2)c(O)cc1O ZINC001231633895 942950082 /nfs/dbraw/zinc/95/00/82/942950082.db2.gz CIOIEPIVUVFMJE-NSHDSACASA-N 1 0 266.341 1.242 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(O)cc1O ZINC001231633853 942950089 /nfs/dbraw/zinc/95/00/89/942950089.db2.gz ANYREVHZCHTZNZ-BMIGLBTASA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(O)cc1O ZINC001231638003 942953008 /nfs/dbraw/zinc/95/30/08/942953008.db2.gz VCWKZURKCWPLLW-PHIMTYICSA-N 1 0 280.368 1.631 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCc3nc(C(N)=O)ccc3C2)c(O)c1 ZINC001277568784 943019627 /nfs/dbraw/zinc/01/96/27/943019627.db2.gz QGZLHKQJFPVKDP-UHFFFAOYSA-N 1 0 297.358 1.753 20 10 CDCDRO Cc1cc(C)c(C[N@H+](C)CC(=O)N2CCOCC2)c(O)c1 ZINC001231843404 943025422 /nfs/dbraw/zinc/02/54/22/943025422.db2.gz YDLXBBVUWUBQMT-UHFFFAOYSA-N 1 0 292.379 1.300 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc1Cl ZINC001232267131 943196538 /nfs/dbraw/zinc/19/65/38/943196538.db2.gz XJKYTZCPXFIBCG-PWSUYJOCSA-N 1 0 289.734 1.959 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232835195 943412249 /nfs/dbraw/zinc/41/22/49/943412249.db2.gz ZFERWMQOCNDEDA-ZDUSSCGKSA-N 1 0 292.379 1.843 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC001232835287 943414006 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ZINC000385893162 944093001 /nfs/dbraw/zinc/09/30/01/944093001.db2.gz DOJNXEUWPVVVIA-CYBMUJFWSA-N 1 0 253.342 1.491 20 10 CDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000386890297 944105225 /nfs/dbraw/zinc/10/52/25/944105225.db2.gz DVUNZYNFJAMZQA-MRXNPFEDSA-N 1 0 294.395 1.010 20 10 CDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc(F)c(F)cc1O)C2 ZINC001235997023 944365333 /nfs/dbraw/zinc/36/53/33/944365333.db2.gz ZBPWIRNJCZGWGZ-TVQRCGJNSA-N 1 0 254.280 1.594 20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c(C)c1 ZINC001236055339 944393179 /nfs/dbraw/zinc/39/31/79/944393179.db2.gz PJDCEWPEVMRQBF-HNNXBMFYSA-N 1 0 291.395 1.008 20 10 CDCDRO COc1cc(O)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(OC)c1 ZINC001236576821 944513588 /nfs/dbraw/zinc/51/35/88/944513588.db2.gz BUHAACLOSQUXQL-QWRGUYRKSA-N 1 0 280.368 1.592 20 10 CDCDRO C[C@H]1CN(Cc2c(O)ccc(F)c2F)C[C@H](C)[NH2+]1 ZINC001236577957 944514418 /nfs/dbraw/zinc/51/44/18/944514418.db2.gz CPQLLZMTHBNPFF-IUCAKERBSA-N 1 0 256.296 1.853 20 10 CDCDRO COc1cc(C)c(C[N@H+](C)CCN2CCOCC2)c(O)c1 ZINC001236818547 944579856 /nfs/dbraw/zinc/57/98/56/944579856.db2.gz NUOLYONPVQCRDY-UHFFFAOYSA-N 1 0 294.395 1.473 20 10 CDCDRO COC1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933054 944618842 /nfs/dbraw/zinc/61/88/42/944618842.db2.gz TYRJTUSJABGFFL-UHFFFAOYSA-N 1 0 293.386 1.408 20 10 CDCDRO CC[N@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237201724 944691336 /nfs/dbraw/zinc/69/13/36/944691336.db2.gz AOBRBSJDCBVBNF-UHFFFAOYSA-N 1 0 282.409 1.373 20 10 CDCDRO Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)CC[NH3+] ZINC001237616955 944890499 /nfs/dbraw/zinc/89/04/99/944890499.db2.gz RJBPFVLQJAMJTB-UHFFFAOYSA-N 1 0 272.370 1.524 20 10 CDCDRO COc1cc(C[NH+]2CC(C3COC3)C2)c(O)c(OC)c1 ZINC001237675612 944919986 /nfs/dbraw/zinc/91/99/86/944919986.db2.gz YSLVTEYWMVWEDT-UHFFFAOYSA-N 1 0 279.336 1.488 20 10 CDCDRO Cc1cc(Cl)cc(CN2CC[NH+](CCCO)CC2)c1O ZINC001237680834 944922382 /nfs/dbraw/zinc/92/23/82/944922382.db2.gz IQGHUSZCEHMCGR-UHFFFAOYSA-N 1 0 298.814 1.854 20 10 CDCDRO C[NH+](C)C1CN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237933759 945006796 /nfs/dbraw/zinc/00/67/96/945006796.db2.gz GRNQMNQVOFHNJF-UHFFFAOYSA-N 1 0 258.724 1.931 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC001238058937 945044832 /nfs/dbraw/zinc/04/48/32/945044832.db2.gz WSUHRROAUKGSQP-UHFFFAOYSA-N 1 0 292.354 1.942 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1O ZINC001238060876 945046420 /nfs/dbraw/zinc/04/64/20/945046420.db2.gz JGHRCMZYAPBHDS-AWEZNQCLSA-N 1 0 295.354 1.956 20 10 CDCDRO Cc1cc(F)cc(C[N@H+]2CCC3(CN(C)C3)C2)c1O ZINC001238067854 945049381 /nfs/dbraw/zinc/04/93/81/945049381.db2.gz QOJKACPMGHYLGQ-UHFFFAOYSA-N 1 0 264.344 1.977 20 10 CDCDRO Cn1ccc(N2CCC[C@H]([NH2+]Cc3ccc(N)cc3)C2=O)n1 ZINC001262488332 946682395 /nfs/dbraw/zinc/68/23/95/946682395.db2.gz YRLAVNYMWAGRCW-AWEZNQCLSA-N 1 0 299.378 1.288 20 10 CDCDRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001262603859 946758958 /nfs/dbraw/zinc/75/89/58/946758958.db2.gz XLXMNMQVMJZWCW-ZDUSSCGKSA-N 1 0 290.411 1.895 20 10 CDCDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001255523882 947962315 /nfs/dbraw/zinc/96/23/15/947962315.db2.gz LBUWEEMLPZVFGL-FZMZJTMJSA-N 1 0 281.352 1.678 20 10 CDCDRO CN1CCC([NH2+]CCc2ccc(O)c(O)c2)CC1 ZINC001256195458 948227443 /nfs/dbraw/zinc/22/74/43/948227443.db2.gz WYISWIFNAYXXRY-UHFFFAOYSA-N 1 0 250.342 1.324 20 10 CDCDRO C[C@H](Cc1ccncc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001256716469 948406459 /nfs/dbraw/zinc/40/64/59/948406459.db2.gz RGINGAJQGBMKRZ-BZNIZROVSA-N 1 0 288.347 1.747 20 10 CDCDRO CN1CCN(c2ccc(CNCC(C)(C)[NH3+])cc2F)CC1 ZINC001325268623 953806338 /nfs/dbraw/zinc/80/63/38/953806338.db2.gz SGGCWEQUFJZWMH-UHFFFAOYSA-N 1 0 294.418 1.404 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001308447400 956534885 /nfs/dbraw/zinc/53/48/85/956534885.db2.gz PHGKGGNBQFQYIB-HZPDHXFCSA-N 1 0 276.380 1.790 20 10 CDCDRO C[NH2+]C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001331419824 957040234 /nfs/dbraw/zinc/04/02/34/957040234.db2.gz SCOCCYCJHJVWTN-VIFPVBQESA-N 1 0 283.328 1.254 20 10 CDCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1COCO1 ZINC001335072422 959561077 /nfs/dbraw/zinc/56/10/77/959561077.db2.gz ONMUQIFLAXJLTN-OAHLLOKOSA-N 1 0 262.353 1.749 20 10 CDCDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(N)cc3)C2=O)n(C)n1 ZINC001336284719 960287465 /nfs/dbraw/zinc/28/74/65/960287465.db2.gz CCEOIOYCPRMGCS-CQSZACIVSA-N 1 0 299.378 1.206 20 10 CDCDRO C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001346739308 965234923 /nfs/dbraw/zinc/23/49/23/965234923.db2.gz PNAAPYQCPLXCQP-WCQYABFASA-N 1 0 276.384 1.395 20 10 CDCDRO C[C@H](C[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001348514762 966034479 /nfs/dbraw/zinc/03/44/79/966034479.db2.gz HEARXTTYGIKWEA-GFCCVEGCSA-N 1 0 280.391 1.014 20 10 CDCDRO C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N)cc1 ZINC001356228855 969361466 /nfs/dbraw/zinc/36/14/66/969361466.db2.gz WGSUWDOARYFRKD-JTQLQIEISA-N 1 0 258.325 1.487 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000093483625 342429079 /nfs/dbraw/zinc/42/90/79/342429079.db2.gz IZTOYJAMFRUJGT-GASCZTMLSA-N 1 0 282.359 1.209 20 10 CDCDRO OCCCN1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000295147077 199372168 /nfs/dbraw/zinc/37/21/68/199372168.db2.gz QSNXFVMDRTZKMK-CQSZACIVSA-N 1 0 264.369 1.329 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000036795327 356884163 /nfs/dbraw/zinc/88/41/63/356884163.db2.gz MIRMYGNTVKUYMZ-MNOVXSKESA-N 1 0 250.342 1.876 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)C)c(O)c1 ZINC000037751747 356924636 /nfs/dbraw/zinc/92/46/36/356924636.db2.gz FADWSUIZFSOGRS-LLVKDONJSA-N 1 0 250.342 1.830 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCO1)OCO2 ZINC000042879346 357083154 /nfs/dbraw/zinc/08/31/54/357083154.db2.gz QBLXLPQUIUZZRK-JTQLQIEISA-N 1 0 251.282 1.390 20 10 CDCDRO COc1ccc(O)c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000221366127 357228249 /nfs/dbraw/zinc/22/82/49/357228249.db2.gz AYVXTZQJGFXQBI-SMDDNHRTSA-N 1 0 262.353 1.585 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCN(CC)CCO)c1 ZINC000184545559 357487907 /nfs/dbraw/zinc/48/79/07/357487907.db2.gz OJHXGSSGPHIUCB-UHFFFAOYSA-N 1 0 282.384 1.195 20 10 CDCDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3ccccc3O)C2)cn1 ZINC000370902167 359105951 /nfs/dbraw/zinc/10/59/51/359105951.db2.gz AYYLDOGEIDRINZ-CYBMUJFWSA-N 1 0 272.352 1.494 20 10 CDCDRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297150134 200098238 /nfs/dbraw/zinc/09/82/38/200098238.db2.gz ZWWRUDKUHYXYRE-LBPRGKRZSA-N 1 0 298.408 1.297 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC000227099561 359783560 /nfs/dbraw/zinc/78/35/60/359783560.db2.gz WJQSPKXAZRTNBZ-AWEZNQCLSA-N 1 0 267.300 1.691 20 10 CDCDRO CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000124563358 360377540 /nfs/dbraw/zinc/37/75/40/360377540.db2.gz AVGRTOFFAAQUSK-CQSZACIVSA-N 1 0 263.385 1.709 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000271124485 364934976 /nfs/dbraw/zinc/93/49/76/364934976.db2.gz ZFVUARXRTOYJLK-NSHDSACASA-N 1 0 265.309 1.396 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCOC2)c1O ZINC000179023410 364975136 /nfs/dbraw/zinc/97/51/36/364975136.db2.gz JNYAJMKUSVLNNW-CQSZACIVSA-N 1 0 267.325 1.032 20 10 CDCDRO CCC[N@H+](CCC(=O)NC(=O)NC)Cc1ccccc1O ZINC000171668208 365353064 /nfs/dbraw/zinc/35/30/64/365353064.db2.gz MEVUZSKBXMXASD-UHFFFAOYSA-N 1 0 293.367 1.450 20 10 CDCDRO O=C1N[C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C[C@@H]2CO1 ZINC000281201644 367603670 /nfs/dbraw/zinc/60/36/70/367603670.db2.gz JBVFNRPQBVRZED-PWSUYJOCSA-N 1 0 280.299 1.462 20 10 CDCDRO O=C1NC[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)O1 ZINC000375560358 370862658 /nfs/dbraw/zinc/86/26/58/370862658.db2.gz YRMSYCICFCNXHQ-AWEZNQCLSA-N 1 0 262.309 1.467 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000282058485 367716315 /nfs/dbraw/zinc/71/63/15/367716315.db2.gz BEKXYMUTWRVWFN-ZDUSSCGKSA-N 1 0 253.342 1.496 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000282247317 367794749 /nfs/dbraw/zinc/79/47/49/367794749.db2.gz OJUWEFRXHHFKEG-ZDUSSCGKSA-N 1 0 253.342 1.491 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c(O)c1 ZINC000282489954 367910194 /nfs/dbraw/zinc/91/01/94/367910194.db2.gz HQLDOZVVKANRTR-QWRGUYRKSA-N 1 0 268.332 1.825 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)C[NH3+])cc1F ZINC000285768747 368658184 /nfs/dbraw/zinc/65/81/84/368658184.db2.gz LNZHOJKUTIGGEM-LLVKDONJSA-N 1 0 281.375 1.883 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(O)c1O ZINC000253087728 370214309 /nfs/dbraw/zinc/21/43/09/370214309.db2.gz DLSIPVMDNBRKSP-QWRGUYRKSA-N 1 0 276.336 1.454 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000272930056 371136035 /nfs/dbraw/zinc/13/60/35/371136035.db2.gz ZJUJCYZZLKMJMG-VXGBXAGGSA-N 1 0 298.408 1.467 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296450117 371438467 /nfs/dbraw/zinc/43/84/67/371438467.db2.gz NFFYFUNHMJVXOZ-LLVKDONJSA-N 1 0 281.377 1.546 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCNC(=O)CC1 ZINC000294858617 378653238 /nfs/dbraw/zinc/65/32/38/378653238.db2.gz CXVPIZLMWKCZSM-GFCCVEGCSA-N 1 0 262.353 1.740 20 10 CDCDRO COCCC[N@H+](CCOC)Cc1cccc(OC)c1O ZINC000133096232 390900880 /nfs/dbraw/zinc/90/08/80/390900880.db2.gz PJERLDMWPVWCDB-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000153762962 390905156 /nfs/dbraw/zinc/90/51/56/390905156.db2.gz JJBUOQVGOXVJES-CYBMUJFWSA-N 1 0 251.326 1.109 20 10 CDCDRO CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC000178891186 391193228 /nfs/dbraw/zinc/19/32/28/391193228.db2.gz HAFDASSWIYOKEO-CQSZACIVSA-N 1 0 261.369 1.412 20 10 CDCDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179559033 391210825 /nfs/dbraw/zinc/21/08/25/391210825.db2.gz LLALDAMYDPJPAP-CYBMUJFWSA-N 1 0 260.337 1.635 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCOCC1 ZINC000183547607 391267227 /nfs/dbraw/zinc/26/72/27/391267227.db2.gz FTHRPIQNRPSJDJ-JSGCOSHPSA-N 1 0 292.379 1.680 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]([NH3+])CC(F)F ZINC000345796867 391314722 /nfs/dbraw/zinc/31/47/22/391314722.db2.gz LFRANIFZEGBIMR-SNVBAGLBSA-N 1 0 299.321 1.461 20 10 CDCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000193696456 391344318 /nfs/dbraw/zinc/34/43/18/391344318.db2.gz ZUIVLWCACXULQK-HZMBPMFUSA-N 1 0 260.337 1.236 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(C)(C)[NH3+] ZINC000649347594 392083136 /nfs/dbraw/zinc/08/31/36/392083136.db2.gz HFCPSVNJOLREMQ-UHFFFAOYSA-N 1 0 291.395 1.996 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cccc(OC)c1O ZINC000172070747 261069540 /nfs/dbraw/zinc/06/95/40/261069540.db2.gz BFABKNQHRQWFBE-CQSZACIVSA-N 1 0 269.341 1.278 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccccc1O ZINC000183671723 261984216 /nfs/dbraw/zinc/98/42/16/261984216.db2.gz UWGWSHWAWWLUFN-QWHCGFSZSA-N 1 0 293.363 1.965 20 10 CDCDRO COC(=O)N1CC([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000186137235 262081013 /nfs/dbraw/zinc/08/10/13/262081013.db2.gz AMNBTFYVVFSZCS-SNVBAGLBSA-N 1 0 264.325 1.802 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000119995032 262179946 /nfs/dbraw/zinc/17/99/46/262179946.db2.gz XEXQSQXCMUTAMP-WRWORJQWSA-N 1 0 279.258 1.975 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1F ZINC000372445537 267565626 /nfs/dbraw/zinc/56/56/26/267565626.db2.gz KEWCIIBDISKLES-LRDDRELGSA-N 1 0 291.370 1.508 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000529638188 271011090 /nfs/dbraw/zinc/01/10/90/271011090.db2.gz HVZXIEKGZVJEAB-UHFFFAOYSA-N 1 0 296.758 1.955 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000219135911 329147436 /nfs/dbraw/zinc/14/74/36/329147436.db2.gz FUTMFCHISQMZMA-CYBMUJFWSA-N 1 0 251.326 1.109 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000223946918 333214281 /nfs/dbraw/zinc/21/42/81/333214281.db2.gz TUFVLEZMEODTEK-OCCSQVGLSA-N 1 0 266.385 1.801 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)C2)c(OC)c1 ZINC001141028144 1159572514 /nfs/dbraw/zinc/57/25/14/1159572514.db2.gz CMEGLZGCWNLWMG-OAHLLOKOSA-N 1 0 281.352 1.756 20 10 CDCDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262562377 519423677 /nfs/dbraw/zinc/42/36/77/519423677.db2.gz AAZJKHQQQFQUTD-OAHLLOKOSA-N 1 0 263.385 1.691 20 10 CDCDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617117 519708738 /nfs/dbraw/zinc/70/87/38/519708738.db2.gz RCGRVJUZYQAUMN-VIFPVBQESA-N 1 0 254.305 1.707 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000045661692 520729700 /nfs/dbraw/zinc/72/97/00/520729700.db2.gz IURMBQGZNMAKNZ-LBPRGKRZSA-N 1 0 263.385 1.658 20 10 CDCDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000264219791 521588486 /nfs/dbraw/zinc/58/84/86/521588486.db2.gz JSVRMOIBKZFPLE-CYBMUJFWSA-N 1 0 262.353 1.883 20 10 CDCDRO CCCN(CCC)c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278434109 521651350 /nfs/dbraw/zinc/65/13/50/521651350.db2.gz UKMBZVLJMAZFLL-IAGOWNOFSA-N 1 0 292.423 1.850 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276637607 522050521 /nfs/dbraw/zinc/05/05/21/522050521.db2.gz ULTJSVJXYUDJEN-VHSXEESVSA-N 1 0 296.342 1.840 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1F ZINC000276014266 522168864 /nfs/dbraw/zinc/16/88/64/522168864.db2.gz QHVZIVKKNOAPLW-UHFFFAOYSA-N 1 0 296.386 1.865 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000040825779 522200940 /nfs/dbraw/zinc/20/09/40/522200940.db2.gz JANWOUZZYBGOJI-CYBMUJFWSA-N 1 0 261.369 1.368 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000272642337 522299285 /nfs/dbraw/zinc/29/92/85/522299285.db2.gz CTLWSXAPZKEXJV-CYBMUJFWSA-N 1 0 253.342 1.760 20 10 CDCDRO C[N@H+](CCN1CCOCC1)Cc1c(O)cccc1Cl ZINC000130724687 522839055 /nfs/dbraw/zinc/83/90/55/522839055.db2.gz HXUZGPURNXZBJL-UHFFFAOYSA-N 1 0 284.787 1.810 20 10 CDCDRO COCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000096487843 522936604 /nfs/dbraw/zinc/93/66/04/522936604.db2.gz UKWNBSKIFGOGPS-UHFFFAOYSA-N 1 0 279.336 1.979 20 10 CDCDRO C[C@H](CNC(=O)c1cccc(O)c1O)[N@H+](C)C1CC1 ZINC000188388421 524467022 /nfs/dbraw/zinc/46/70/22/524467022.db2.gz GIMRKYOEJMZKKU-SECBINFHSA-N 1 0 264.325 1.310 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCc2cnn(C)n2)c1 ZINC000293511255 524750264 /nfs/dbraw/zinc/75/02/64/524750264.db2.gz AHNYSGBFIAFLKC-UHFFFAOYSA-N 1 0 276.340 1.252 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000192104549 525003057 /nfs/dbraw/zinc/00/30/57/525003057.db2.gz NAJNSQABSQZCKM-VXGBXAGGSA-N 1 0 275.396 1.669 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1O ZINC000228094862 525599619 /nfs/dbraw/zinc/59/96/19/525599619.db2.gz KLRHJCUOFNMSKH-ZANVPECISA-N 1 0 255.289 1.161 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000279665127 525948831 /nfs/dbraw/zinc/94/88/31/525948831.db2.gz MLENHROYFCDVBM-WBMJQRKESA-N 1 0 293.363 1.781 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683259 527477580 /nfs/dbraw/zinc/47/75/80/527477580.db2.gz VZVRXPUIPPGJOF-ZDUSSCGKSA-N 1 0 259.353 1.164 20 10 CDCDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063000770 527581781 /nfs/dbraw/zinc/58/17/81/527581781.db2.gz XRNPBMAQUKGLQT-CYBMUJFWSA-N 1 0 287.315 1.944 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000729535372 574814867 /nfs/dbraw/zinc/81/48/67/574814867.db2.gz QBLXCJGELOFLPV-WDEREUQCSA-N 1 0 278.352 1.530 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000769785337 575383872 /nfs/dbraw/zinc/38/38/72/575383872.db2.gz AIJPVHBMQKCKLZ-VXGBXAGGSA-N 1 0 283.368 1.839 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000770381141 575443387 /nfs/dbraw/zinc/44/33/87/575443387.db2.gz ODEWJHGOJNGGTP-CYBMUJFWSA-N 1 0 292.379 1.701 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](CC)CC(=O)NC)cc1 ZINC000773746630 575837316 /nfs/dbraw/zinc/83/73/16/575837316.db2.gz MULHSGYUFCOAJQ-UHFFFAOYSA-N 1 0 263.385 1.711 20 10 CDCDRO CNC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000765331228 576009115 /nfs/dbraw/zinc/00/91/15/576009115.db2.gz CUBQLCVMEDILTH-ZDUSSCGKSA-N 1 0 291.395 1.310 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCSCC1)[C@H](O)CO2 ZINC000768439793 576282816 /nfs/dbraw/zinc/28/28/16/576282816.db2.gz NJGAPWJYIMNRSD-GFCCVEGCSA-N 1 0 267.350 1.367 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(CCCCO)CC2)c1 ZINC000769394153 576351571 /nfs/dbraw/zinc/35/15/71/576351571.db2.gz JGAJJCTVXYUUPC-UHFFFAOYSA-N 1 0 278.396 1.591 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1O ZINC000892092112 617476231 /nfs/dbraw/zinc/47/62/31/617476231.db2.gz INPRBNKSDBJZEV-WZRBSPASSA-N 1 0 277.368 1.750 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000044532258 617582433 /nfs/dbraw/zinc/58/24/33/617582433.db2.gz ALAPSUFBIORVSF-ZDUSSCGKSA-N 1 0 261.369 1.269 20 10 CDCDRO COC[C@@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892733539 617675686 /nfs/dbraw/zinc/67/56/86/617675686.db2.gz WJOFRAWVEMOJBY-JTQLQIEISA-N 1 0 269.341 1.782 20 10 CDCDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000840980441 617993648 /nfs/dbraw/zinc/99/36/48/617993648.db2.gz ZXKXEIREFWYUJG-WDEREUQCSA-N 1 0 279.336 1.714 20 10 CDCDRO CCn1cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)cn1 ZINC000893002067 618042475 /nfs/dbraw/zinc/04/24/75/618042475.db2.gz VBFHVNQNNYZYMC-UHFFFAOYSA-N 1 0 291.351 1.916 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893078688 618130953 /nfs/dbraw/zinc/13/09/53/618130953.db2.gz FICSWXMDLVRVMS-LLVKDONJSA-N 1 0 299.367 1.551 20 10 CDCDRO CCOc1ccc(O)c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843057907 618692001 /nfs/dbraw/zinc/69/20/01/618692001.db2.gz NVMDRHHQUABDDK-XHDPSFHLSA-N 1 0 280.368 1.339 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)OC)c(O)c1OC ZINC000894552858 618960684 /nfs/dbraw/zinc/96/06/84/618960684.db2.gz LEZDBBMMJOXGGV-ZJUUUORDSA-N 1 0 269.341 1.922 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCC2)c(O)c1OC ZINC000894775856 619050189 /nfs/dbraw/zinc/05/01/89/619050189.db2.gz FLVOHQYLYZVHMB-GFCCVEGCSA-N 1 0 281.352 1.660 20 10 CDCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H](C)CO ZINC000894863301 619106933 /nfs/dbraw/zinc/10/69/33/619106933.db2.gz XJTZEAKEMDQADJ-NSHDSACASA-N 1 0 253.342 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1O ZINC000895325593 619563337 /nfs/dbraw/zinc/56/33/37/619563337.db2.gz SWKDKVHICZPYGO-ZDUSSCGKSA-N 1 0 278.352 1.323 20 10 CDCDRO COc1ccc(C[N@H+](C)C2(CO)CC2)c(O)c1OC ZINC000895475386 619685455 /nfs/dbraw/zinc/68/54/55/619685455.db2.gz HFYUHKIUTKQJKW-UHFFFAOYSA-N 1 0 267.325 1.366 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000896383898 620080249 /nfs/dbraw/zinc/08/02/49/620080249.db2.gz GQHXGXTVNWZYNP-GFCCVEGCSA-N 1 0 293.363 1.986 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1C ZINC000035052739 620628035 /nfs/dbraw/zinc/62/80/35/620628035.db2.gz OSUUMWDAUDEBSS-LBPRGKRZSA-N 1 0 269.366 1.280 20 10 CDCDRO CN(C)c1ccc([C@H](CNCc2cc[nH]n2)[NH+](C)C)cc1 ZINC000898450856 621741596 /nfs/dbraw/zinc/74/15/96/621741596.db2.gz GAKWOJUXQRGKRP-INIZCTEOSA-N 1 0 287.411 1.868 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC000211484070 630846647 /nfs/dbraw/zinc/84/66/47/630846647.db2.gz DELVJHQWZYTVPP-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO C[C@@H](NCc1ccc2c(c1)CCCO2)c1nncn1C ZINC000921685956 633174737 /nfs/dbraw/zinc/17/47/37/633174737.db2.gz ZOLZSHNILINUJC-LLVKDONJSA-N 1 0 272.352 1.991 20 10 CDCDRO COc1cc(C)c(CN2CCC[NH2+]CC2)c(O)c1 ZINC001204684912 1160354477 /nfs/dbraw/zinc/35/44/77/1160354477.db2.gz OOXROEPVXXLAIM-UHFFFAOYSA-N 1 0 250.342 1.505 20 10 CDCDRO Oc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1O ZINC000035054382 1165743525 /nfs/dbraw/zinc/74/35/25/1165743525.db2.gz HWHKYZSMRRNEEQ-UHFFFAOYSA-N 1 0 262.353 1.814 20 10 CDCDRO C[C@]([NH3+])(C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001576086661 1171330415 /nfs/dbraw/zinc/33/04/15/1171330415.db2.gz XJVPYLAMLVLQNG-MRXNPFEDSA-N 1 0 286.331 1.588 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1O ZINC001579485543 1172196233 /nfs/dbraw/zinc/19/62/33/1172196233.db2.gz WZGSZUZEUBVRLB-LFSVMHDDSA-N 1 0 275.352 1.645 20 10 CDCDRO CCOc1cccc(C[NH2+]CC(=O)NCC(C)C)c1O ZINC000134637969 1175820384 /nfs/dbraw/zinc/82/03/84/1175820384.db2.gz LVOXBSBXZOPKBP-UHFFFAOYSA-N 1 0 280.368 1.653 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CCOCC2)c(O)c1 ZINC000877494140 828833475 /nfs/dbraw/zinc/83/34/75/828833475.db2.gz TZVLLJFHRPKBET-MRXNPFEDSA-N 1 0 295.379 1.932 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)C[NH2+]C1 ZINC000399156203 832324397 /nfs/dbraw/zinc/32/43/97/832324397.db2.gz BNPHGERGHHZOLK-UHFFFAOYSA-N 1 0 275.396 1.711 20 10 CDCDRO C[N@@H+]1CC[C@](O)(CNCc2ccc3c(c2)CCCO3)C1 ZINC000921997921 833016689 /nfs/dbraw/zinc/01/66/89/833016689.db2.gz AGFIIZKAVCMASU-INIZCTEOSA-N 1 0 276.380 1.168 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2([NH+](C)C)CC2)cc1 ZINC000854271844 833038830 /nfs/dbraw/zinc/03/88/30/833038830.db2.gz RXXDNMPZYHNQDI-UHFFFAOYSA-N 1 0 261.369 1.463 20 10 CDCDRO CCCNC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700947813 833053463 /nfs/dbraw/zinc/05/34/63/833053463.db2.gz SECBKOQHWGQLFR-LBPRGKRZSA-N 1 0 275.396 1.813 20 10 CDCDRO Oc1ccccc1CNCc1nnnn1-c1ccccc1 ZINC000134230189 833054036 /nfs/dbraw/zinc/05/40/36/833054036.db2.gz NEDYFNAMGUGYQI-UHFFFAOYSA-N 1 0 281.319 1.658 20 10 CDCDRO C[NH2+][C@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841882335 833067968 /nfs/dbraw/zinc/06/79/68/833067968.db2.gz JKGCNLYWPDAJSK-JSGCOSHPSA-N 1 0 290.411 1.817 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C/C=C/CO)cc1F ZINC000858188609 833068298 /nfs/dbraw/zinc/06/82/98/833068298.db2.gz VUCMKHHFLBGFGM-ONEGZZNKSA-N 1 0 256.296 1.669 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1F ZINC000862353759 833155249 /nfs/dbraw/zinc/15/52/49/833155249.db2.gz ZCATXEYDQZXKDU-OAHLLOKOSA-N 1 0 297.349 1.728 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1C ZINC000824582852 833279366 /nfs/dbraw/zinc/27/93/66/833279366.db2.gz CKOJEODGZKJNQF-MRXNPFEDSA-N 1 0 292.423 1.945 20 10 CDCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1c([O-])cccc1F ZINC000886518009 833289903 /nfs/dbraw/zinc/28/99/03/833289903.db2.gz ZTYOFKCVWNHMKU-MRVPVSSYSA-N 1 0 261.318 1.227 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000831953039 833318885 /nfs/dbraw/zinc/31/88/85/833318885.db2.gz SONFFPFMNKTFGU-HNNXBMFYSA-N 1 0 275.396 1.754 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(O)c1 ZINC000877466776 833320242 /nfs/dbraw/zinc/32/02/42/833320242.db2.gz QKVOJKCHSUIGHR-LNSITVRQSA-N 1 0 274.364 1.786 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000840964251 828862714 /nfs/dbraw/zinc/86/27/14/828862714.db2.gz VIEPOXBNNURQAI-WBVHZDCISA-N 1 0 292.423 1.938 20 10 CDCDRO Oc1cccc(Br)c1C[NH2+]CCn1cncn1 ZINC000706799677 828872277 /nfs/dbraw/zinc/87/22/77/828872277.db2.gz AODKKZOZOKPBLZ-UHFFFAOYSA-N 1 0 297.156 1.536 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)C[NH3+])cc1 ZINC000841718750 828897275 /nfs/dbraw/zinc/89/72/75/828897275.db2.gz ASJAQGXAPVUEIQ-CYBMUJFWSA-N 1 0 292.427 1.927 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000391528109 828899233 /nfs/dbraw/zinc/89/92/33/828899233.db2.gz GCTFGCIRJAIHEW-CYBMUJFWSA-N 1 0 260.337 1.332 20 10 CDCDRO FCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000798087196 833330482 /nfs/dbraw/zinc/33/04/82/833330482.db2.gz NTYBTRXIDPVRRH-UHFFFAOYSA-N 1 0 256.296 1.721 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCOC1 ZINC000109544405 828988060 /nfs/dbraw/zinc/98/80/60/828988060.db2.gz YDGOECSXCFZIHU-HNNXBMFYSA-N 1 0 276.380 1.792 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000230666924 833352877 /nfs/dbraw/zinc/35/28/77/833352877.db2.gz DUBJBPZGNRHFIT-LLVKDONJSA-N 1 0 286.397 1.291 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC000840134560 829081286 /nfs/dbraw/zinc/08/12/86/829081286.db2.gz XXRYWGYSCKOGTR-GXTWGEPZSA-N 1 0 276.380 1.845 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1Cl ZINC000825548096 829085750 /nfs/dbraw/zinc/08/57/50/829085750.db2.gz BPYINLAFWBAQAV-QWRGUYRKSA-N 1 0 271.744 1.282 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(O)c1 ZINC000832178395 833375656 /nfs/dbraw/zinc/37/56/56/833375656.db2.gz QFQUSDMBHAHYEJ-ZYHUDNBSSA-N 1 0 278.352 1.535 20 10 CDCDRO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817942917 829284620 /nfs/dbraw/zinc/28/46/20/829284620.db2.gz RNHBAPVSRHZDKD-WQVCFCJDSA-N 1 0 277.412 1.767 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000824709323 833396720 /nfs/dbraw/zinc/39/67/20/833396720.db2.gz PADLGEAHQPRRQI-JSGCOSHPSA-N 1 0 251.326 1.533 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCOC2)cc1F ZINC000858152819 829363388 /nfs/dbraw/zinc/36/33/88/829363388.db2.gz ALQTYJLSAGVAED-JTQLQIEISA-N 1 0 256.296 1.909 20 10 CDCDRO COc1ccc(CNC(=O)CCCCCC[NH3+])c(O)c1 ZINC000832178402 829395346 /nfs/dbraw/zinc/39/53/46/829395346.db2.gz QMOUERZQXSTUNT-UHFFFAOYSA-N 1 0 280.368 1.926 20 10 CDCDRO CC[C@@H]([NH2+]C[C@](C)(O)COC)c1ccccc1O ZINC000382563266 829445021 /nfs/dbraw/zinc/44/50/21/829445021.db2.gz MQXHDOJWDCUFOA-OCCSQVGLSA-N 1 0 253.342 1.830 20 10 CDCDRO COc1ccc(N2CCN(CCC[NH3+])CC2)c(OC)c1 ZINC000074415245 829576440 /nfs/dbraw/zinc/57/64/40/829576440.db2.gz OTGZOAFIAPNNSK-UHFFFAOYSA-N 1 0 279.384 1.175 20 10 CDCDRO Oc1ccc(Br)cc1C[NH2+]CCN1CCC1 ZINC000310038002 829656921 /nfs/dbraw/zinc/65/69/21/829656921.db2.gz VRHGJYNMMRFTGF-UHFFFAOYSA-N 1 0 285.185 1.950 20 10 CDCDRO COc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c(O)c1 ZINC000846680847 829811592 /nfs/dbraw/zinc/81/15/92/829811592.db2.gz DVYUNMIRMSLNQM-GXFFZTMASA-N 1 0 278.352 1.535 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000382544465 829835897 /nfs/dbraw/zinc/83/58/97/829835897.db2.gz CJACSTMKOQSRBE-YGRLFVJLSA-N 1 0 269.341 1.449 20 10 CDCDRO C[C@@H](O)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000848928206 829858692 /nfs/dbraw/zinc/85/86/92/829858692.db2.gz AUICNNMOPDORPA-CQSZACIVSA-N 1 0 290.407 1.868 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000866457067 829895540 /nfs/dbraw/zinc/89/55/40/829895540.db2.gz IGWFZZQGTNBAPM-NSHDSACASA-N 1 0 286.397 1.291 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CC3OCCO3)CC2)cc1 ZINC000182068403 829899868 /nfs/dbraw/zinc/89/98/68/829899868.db2.gz BHJXHEWNXYWOHC-UHFFFAOYSA-N 1 0 292.379 1.580 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000710100593 830028524 /nfs/dbraw/zinc/02/85/24/830028524.db2.gz AZLQOIJALPODSX-AWEZNQCLSA-N 1 0 275.396 1.709 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](CC(N)=O)CC(C)C ZINC000876598353 830053406 /nfs/dbraw/zinc/05/34/06/830053406.db2.gz NQKDSOUJIUYCCC-UHFFFAOYSA-N 1 0 250.342 1.644 20 10 CDCDRO CN1CCC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000040672463 830104156 /nfs/dbraw/zinc/10/41/56/830104156.db2.gz ZIIGTQPTGCGXPI-INIZCTEOSA-N 1 0 289.423 1.707 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)[NH3+])c1O ZINC000863565171 830218794 /nfs/dbraw/zinc/21/87/94/830218794.db2.gz BCUIEKYMPNBAOL-MRVPVSSYSA-N 1 0 254.305 1.513 20 10 CDCDRO C[N@H+](CC1=CCSC1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853620507 830301584 /nfs/dbraw/zinc/30/15/84/830301584.db2.gz SODVUYBZWUKAMC-AWEZNQCLSA-N 1 0 293.388 1.923 20 10 CDCDRO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725944 833622683 /nfs/dbraw/zinc/62/26/83/833622683.db2.gz QPAVGMUXAKTLNZ-OLZOCXBDSA-N 1 0 291.395 1.295 20 10 CDCDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2ccccc2O)C1 ZINC000816634313 830350597 /nfs/dbraw/zinc/35/05/97/830350597.db2.gz DQVVAMUTYDMFOT-CYBMUJFWSA-N 1 0 267.300 1.725 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000092955703 830359445 /nfs/dbraw/zinc/35/94/45/830359445.db2.gz TZCLZKNGTREQPG-RISCZKNCSA-N 1 0 261.369 1.367 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(CCCCO)CC2)c1O ZINC000775690666 830370042 /nfs/dbraw/zinc/37/00/42/830370042.db2.gz RHEQMMLPOZNDML-UHFFFAOYSA-N 1 0 278.396 1.591 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000840935028 830399172 /nfs/dbraw/zinc/39/91/72/830399172.db2.gz BQWFWPPTTJNSPU-MRXNPFEDSA-N 1 0 288.395 1.618 20 10 CDCDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996525 830608858 /nfs/dbraw/zinc/60/88/58/830608858.db2.gz HHWHULPUFXEVDU-HNNXBMFYSA-N 1 0 279.380 1.887 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]CCCSc1nccs1 ZINC000819064280 830640918 /nfs/dbraw/zinc/64/09/18/830640918.db2.gz VWOIKBWGJXTWLV-UHFFFAOYSA-N 1 0 294.467 1.650 20 10 CDCDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817412051 830645630 /nfs/dbraw/zinc/64/56/30/830645630.db2.gz BUZGNPVEKLVEHM-MNOVXSKESA-N 1 0 279.336 1.571 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cccc(C)c2O)C1 ZINC000843434114 833649506 /nfs/dbraw/zinc/64/95/06/833649506.db2.gz HTSCBRAVPCBCCE-STQMWFEESA-N 1 0 279.336 1.056 20 10 CDCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000842227177 832230649 /nfs/dbraw/zinc/23/06/49/832230649.db2.gz RSLGWBPRTIPZRR-HIFRSBDPSA-N 1 0 284.375 1.503 20 10 CDCDRO COCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000828960311 832278539 /nfs/dbraw/zinc/27/85/39/832278539.db2.gz TXIVPMHYDGSNAJ-BBRMVZONSA-N 1 0 296.411 1.427 20 10 CDCDRO CCOC(=O)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879650095 833817529 /nfs/dbraw/zinc/81/75/29/833817529.db2.gz ILXGWRHZBFQIJQ-MNOVXSKESA-N 1 0 267.325 1.357 20 10 CDCDRO COCCOCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846144672 833822467 /nfs/dbraw/zinc/82/24/67/833822467.db2.gz MWYYKPYCORFZND-LLVKDONJSA-N 1 0 269.341 1.714 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(O)c1 ZINC000832178394 833822617 /nfs/dbraw/zinc/82/26/17/833822617.db2.gz QFQUSDMBHAHYEJ-PWSUYJOCSA-N 1 0 278.352 1.535 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000822520705 833833890 /nfs/dbraw/zinc/83/38/90/833833890.db2.gz MOCAHMNZXPAIIR-AWEZNQCLSA-N 1 0 289.379 1.298 20 10 CDCDRO COc1cccc(O)c1CN1C[C@H](CO)OC(C)(C)C1 ZINC000817412356 832370731 /nfs/dbraw/zinc/37/07/31/832370731.db2.gz JDCZQJXRGZYMEC-LLVKDONJSA-N 1 0 281.352 1.373 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1OC ZINC000841026523 832410620 /nfs/dbraw/zinc/41/06/20/832410620.db2.gz GSHODGPBTPPQBX-PWSUYJOCSA-N 1 0 278.352 1.203 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)[C@H](C)N2CCOCC2)c(O)c1 ZINC000877025283 833846252 /nfs/dbraw/zinc/84/62/52/833846252.db2.gz FWUJRPHNVCHCOP-KGLIPLIRSA-N 1 0 278.396 1.899 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827131777 833846367 /nfs/dbraw/zinc/84/63/67/833846367.db2.gz CFFULGLZQBHZPN-BXUZGUMPSA-N 1 0 290.363 1.501 20 10 CDCDRO Cc1cccc(O)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000876761364 833872886 /nfs/dbraw/zinc/87/28/86/833872886.db2.gz VFAOBWXVFOGXJF-UHFFFAOYSA-N 1 0 290.407 1.997 20 10 CDCDRO C[NH2+]CCN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000817954472 832647458 /nfs/dbraw/zinc/64/74/58/832647458.db2.gz ZIJKSIANZCKBBU-SECBINFHSA-N 1 0 252.314 1.049 20 10 CDCDRO Cc1cccc(O)c1C[N@H+](C)CC(=O)N1CCCC1 ZINC000876552660 832685265 /nfs/dbraw/zinc/68/52/65/832685265.db2.gz YCVYFTSSQIGQOR-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1 ZINC000817413270 832695504 /nfs/dbraw/zinc/69/55/04/832695504.db2.gz VKJSBPCBLQYBAY-NWDGAFQWSA-N 1 0 265.353 1.851 20 10 CDCDRO COC[C@]1(CN[C@@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000817974192 833976997 /nfs/dbraw/zinc/97/69/97/833976997.db2.gz JDRCWKBLFUYMTL-BLLLJJGKSA-N 1 0 294.395 1.820 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC000841990074 832815522 /nfs/dbraw/zinc/81/55/22/832815522.db2.gz XYELTMKXIIZFBK-WCQYABFASA-N 1 0 277.368 1.674 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000825158512 832859850 /nfs/dbraw/zinc/85/98/50/832859850.db2.gz NMHMXMUSBBNCBT-OAHLLOKOSA-N 1 0 265.353 1.531 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1OC ZINC000857062305 832889851 /nfs/dbraw/zinc/88/98/51/832889851.db2.gz ZWGXQNQBCNUXFN-AAEUAGOBSA-N 1 0 295.379 1.860 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000037801146 832897737 /nfs/dbraw/zinc/89/77/37/832897737.db2.gz RGUSBBRUDKSIAA-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000126887821 833506169 /nfs/dbraw/zinc/50/61/69/833506169.db2.gz PBQXTELHGAJFEV-LLVKDONJSA-N 1 0 289.784 1.712 20 10 CDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817709132 833830750 /nfs/dbraw/zinc/83/07/50/833830750.db2.gz LLVPWUOEUONEAZ-ZDUSSCGKSA-N 1 0 282.359 1.523 20 10 CDCDRO COC(=O)C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000877721582 833870627 /nfs/dbraw/zinc/87/06/27/833870627.db2.gz SGPJPZWZEFVEAE-UHFFFAOYSA-N 1 0 261.321 1.663 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CNC(=O)C2)cc1 ZINC000852210829 833877015 /nfs/dbraw/zinc/87/70/15/833877015.db2.gz BEZMZYRNAGFFKG-ZDUSSCGKSA-N 1 0 291.395 1.199 20 10 CDCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1CC1CC1 ZINC000883396812 834085079 /nfs/dbraw/zinc/08/50/79/834085079.db2.gz XJKWLFVADCGRQW-UONOGXRCSA-N 1 0 286.375 1.980 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000128108424 834086294 /nfs/dbraw/zinc/08/62/94/834086294.db2.gz SVQFGNJHNMQXCD-YPMHNXCESA-N 1 0 264.369 1.973 20 10 CDCDRO COc1cccc(C[NH+]2CCC(CO)(OC)CC2)c1O ZINC000775204351 834152462 /nfs/dbraw/zinc/15/24/62/834152462.db2.gz QFAKKBOGHFIRLH-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO C[C@@H]1C[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293390 834300407 /nfs/dbraw/zinc/30/04/07/834300407.db2.gz VUEHUULGVAHJRP-SWHYSGLUSA-N 1 0 261.369 1.525 20 10 CDCDRO CN(Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCC[N@@H+]1C ZINC000817373842 834314210 /nfs/dbraw/zinc/31/42/10/834314210.db2.gz OVPGOQHSOUUGNW-WFASDCNBSA-N 1 0 292.379 1.344 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)ccc1N(C)C ZINC000815101181 834339167 /nfs/dbraw/zinc/33/91/67/834339167.db2.gz PQIWKEVBVOMYGM-HOCLYGCPSA-N 1 0 278.396 1.236 20 10 CDCDRO CN(CC[NH+]1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000133915292 834358419 /nfs/dbraw/zinc/35/84/19/834358419.db2.gz XSSZMMPYQWEUKN-UHFFFAOYSA-N 1 0 278.352 1.649 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Cl)ccc1O ZINC000866419638 834373734 /nfs/dbraw/zinc/37/37/34/834373734.db2.gz GPLTYXMDERFQPJ-LOWVWBTDSA-N 1 0 271.744 1.846 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000139754019 834375813 /nfs/dbraw/zinc/37/58/13/834375813.db2.gz BGKQZJQCOASMPM-OAHLLOKOSA-N 1 0 290.411 1.646 20 10 CDCDRO COc1ccc(N(C)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000844353210 834394989 /nfs/dbraw/zinc/39/49/89/834394989.db2.gz QZYNXHRKOUJJAG-IYBDPMFKSA-N 1 0 276.380 1.995 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000843353601 834467739 /nfs/dbraw/zinc/46/77/39/834467739.db2.gz LSBZDDDXXVZQCL-YMTOWFKASA-N 1 0 280.343 1.903 20 10 CDCDRO CN(C)c1ccc([C@H](N)C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000841046240 834472532 /nfs/dbraw/zinc/47/25/32/834472532.db2.gz YHWWJTOMGYWWJN-XJKSGUPXSA-N 1 0 277.412 1.769 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617132 834667933 /nfs/dbraw/zinc/66/79/33/834667933.db2.gz KTXIUPQKZAYRGY-BDAKNGLRSA-N 1 0 254.305 1.707 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[NH2+]CC1CC1 ZINC000169102989 834700944 /nfs/dbraw/zinc/70/09/44/834700944.db2.gz NKLBRZOBGJLDOH-UHFFFAOYSA-N 1 0 275.396 1.677 20 10 CDCDRO C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2O)CCO1 ZINC000171927069 834740150 /nfs/dbraw/zinc/74/01/50/834740150.db2.gz UYCRSPWRGKOWLR-LBPRGKRZSA-N 1 0 278.352 1.071 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCOC2)cc1Cl ZINC000825378832 834766095 /nfs/dbraw/zinc/76/60/95/834766095.db2.gz HUXNJWLEBZZNID-CYBMUJFWSA-N 1 0 271.744 1.595 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000846168250 834800485 /nfs/dbraw/zinc/80/04/85/834800485.db2.gz IYMYYQBAPBLUST-MEBBXXQBSA-N 1 0 278.352 1.720 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C[NH3+])c1 ZINC000828666941 834827865 /nfs/dbraw/zinc/82/78/65/834827865.db2.gz KGXQFUQBWNPWCS-SECBINFHSA-N 1 0 266.341 1.563 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000841943106 834833876 /nfs/dbraw/zinc/83/38/76/834833876.db2.gz GDSYSRPGXUXVSE-CQSZACIVSA-N 1 0 290.411 1.646 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000842636062 834839717 /nfs/dbraw/zinc/83/97/17/834839717.db2.gz UFBORWYRMVESBY-UHFFFAOYSA-N 1 0 276.380 1.839 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C)C2=O)c1 ZINC000121034136 834848244 /nfs/dbraw/zinc/84/82/44/834848244.db2.gz RHLWVLOMOXUSQY-BXKDBHETSA-N 1 0 264.325 1.282 20 10 CDCDRO C[NH2+]CCN(C)Cc1cc(Cl)cc(OC)c1O ZINC000229103954 834884183 /nfs/dbraw/zinc/88/41/83/834884183.db2.gz GPEJPONPMXQCQF-UHFFFAOYSA-N 1 0 258.749 1.705 20 10 CDCDRO COc1cc(N(C)C[C@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000843358917 834887354 /nfs/dbraw/zinc/88/73/54/834887354.db2.gz FFJCSBAASIMZIQ-NSHDSACASA-N 1 0 280.368 1.758 20 10 CDCDRO COc1cccc(CN2CC[NH2+][C@H](C)[C@@H]2C)c1O ZINC000379438476 834918700 /nfs/dbraw/zinc/91/87/00/834918700.db2.gz OYLMKRJSPPKESP-MNOVXSKESA-N 1 0 250.342 1.583 20 10 CDCDRO COC[C@]1(CN[C@@H](C)c2ccc(F)cc2O)CCC[NH2+]1 ZINC000817973029 835145006 /nfs/dbraw/zinc/14/50/06/835145006.db2.gz BAYOTWRREKIORA-XHDPSFHLSA-N 1 0 282.359 1.951 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000877256379 835173806 /nfs/dbraw/zinc/17/38/06/835173806.db2.gz ULUDRPRHAVBZAA-KOLCDFICSA-N 1 0 284.306 1.814 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000808426567 835307088 /nfs/dbraw/zinc/30/70/88/835307088.db2.gz FMGANBWSVKNPBC-NSHDSACASA-N 1 0 299.392 1.315 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841761239 835366250 /nfs/dbraw/zinc/36/62/50/835366250.db2.gz OEKSGCNGBNNXAR-SECBINFHSA-N 1 0 268.336 1.038 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)c1O ZINC000846162616 835408761 /nfs/dbraw/zinc/40/87/61/835408761.db2.gz IOKMJZRLNBOJCM-LXIMFEHMSA-N 1 0 271.382 1.818 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)[C@@H](C)C[NH3+])CC2)cc1 ZINC000828352725 835523194 /nfs/dbraw/zinc/52/31/94/835523194.db2.gz CSELJIQOJGHMTL-LBPRGKRZSA-N 1 0 291.395 1.375 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000877779586 835574156 /nfs/dbraw/zinc/57/41/56/835574156.db2.gz CPUALTLTEHPQHR-LLVKDONJSA-N 1 0 269.366 1.311 20 10 CDCDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000840963481 835650962 /nfs/dbraw/zinc/65/09/62/835650962.db2.gz OEDCFEPFQHZCAI-GXFFZTMASA-N 1 0 269.316 1.408 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CC1=O ZINC000846092674 835716655 /nfs/dbraw/zinc/71/66/55/835716655.db2.gz HMTPXCXZRIMNHU-JTQLQIEISA-N 1 0 292.335 1.079 20 10 CDCDRO CCN(CC[NH+](C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233010544 912674734 /nfs/dbraw/zinc/67/47/34/912674734.db2.gz QFROIGMCUGHRLU-UHFFFAOYSA-N 1 0 254.330 1.187 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCO2)cc1C ZINC001123127890 914199285 /nfs/dbraw/zinc/19/92/85/914199285.db2.gz RBVULMZNGDRBRP-HNNXBMFYSA-N 1 0 292.379 1.388 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c1O ZINC001140747981 898171033 /nfs/dbraw/zinc/17/10/33/898171033.db2.gz QCIUVSJABWXHLE-OCCSQVGLSA-N 1 0 276.380 1.932 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000699842012 914344247 /nfs/dbraw/zinc/34/42/47/914344247.db2.gz XLDVHUQBNZLYCR-ZYHUDNBSSA-N 1 0 251.326 1.915 20 10 CDCDRO Cc1cc(Br)c(O)c(CN2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001236020965 914545264 /nfs/dbraw/zinc/54/52/64/914545264.db2.gz ALBLDYKNAQPYAD-GWCFXTLKSA-N 1 0 297.196 1.996 20 10 CDCDRO Oc1ccc(Cl)cc1CNCc1nnc2n1CCOC2 ZINC001343582598 901560969 /nfs/dbraw/zinc/56/09/69/901560969.db2.gz ADLUNGUKLGSSRR-UHFFFAOYSA-N 1 0 294.742 1.457 20 10 CDCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C1CC1 ZINC001172007343 911079036 /nfs/dbraw/zinc/07/90/36/911079036.db2.gz UGHLYGOGESPKPE-CQSZACIVSA-N 1 0 286.375 1.865 20 10 CDCDRO Nc1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206372205 915772840 /nfs/dbraw/zinc/77/28/40/915772840.db2.gz XUVJFZMDZNEOLS-CQSZACIVSA-N 1 0 251.349 1.922 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)cc(O)c1O ZINC001204341842 917880145 /nfs/dbraw/zinc/88/01/45/917880145.db2.gz HCHRJGNWIIKMMP-JQWIXIFHSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(CN2CC([NH+]3CCCC3)C2)cc(O)c1O ZINC001204344328 917925225 /nfs/dbraw/zinc/92/52/25/917925225.db2.gz GDMLZTSXJFLYHI-UHFFFAOYSA-N 1 0 278.352 1.386 20 10 CDCDRO Cc1c(C[NH+]2CC(C(N)=O)C2)c2ccccc2n1C ZINC001138257895 936503247 /nfs/dbraw/zinc/50/32/47/936503247.db2.gz BYPDRQRVGITOFU-UHFFFAOYSA-N 1 0 257.337 1.404 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)ccc21 ZINC001138354543 936525009 /nfs/dbraw/zinc/52/50/09/936525009.db2.gz MZGSFUGYQFUDAT-DOTOQJQBSA-N 1 0 290.407 1.244 20 10 CDCDRO CC(=O)[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CCO1 ZINC001138358809 936526137 /nfs/dbraw/zinc/52/61/37/936526137.db2.gz CEMSWXWSLDNCKG-KRWDZBQOSA-N 1 0 288.391 1.859 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001203549863 919287459 /nfs/dbraw/zinc/28/74/59/919287459.db2.gz ABCVGTFNCJNYSS-ZDUSSCGKSA-N 1 0 263.337 1.508 20 10 CDCDRO Oc1ccccc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001203549862 919287773 /nfs/dbraw/zinc/28/77/73/919287773.db2.gz ABCVGTFNCJNYSS-CYBMUJFWSA-N 1 0 263.337 1.508 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1cccc(OC)c1O ZINC001203599155 919300138 /nfs/dbraw/zinc/30/01/38/919300138.db2.gz AAGNPRGHZMKVLE-UHFFFAOYSA-N 1 0 253.298 1.396 20 10 CDCDRO CCOC1CN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139256175 936612026 /nfs/dbraw/zinc/61/20/26/936612026.db2.gz VVFNYWMDPYGLTH-UHFFFAOYSA-N 1 0 294.395 1.683 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)ccc1N(C)C ZINC001139669951 936634735 /nfs/dbraw/zinc/63/47/35/936634735.db2.gz RDQWFJGVPSZXBX-IAGOWNOFSA-N 1 0 292.423 1.626 20 10 CDCDRO C[N@H+](C1CN(Cc2cc(F)ccc2O)C1)[C@@H]1CCOC1 ZINC001140055384 936674529 /nfs/dbraw/zinc/67/45/29/936674529.db2.gz UJJJSOKZDRTIGV-CYBMUJFWSA-N 1 0 280.343 1.436 20 10 CDCDRO CN(C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060027 936675406 /nfs/dbraw/zinc/67/54/06/936675406.db2.gz HFRZAUWCVXSTDA-UHFFFAOYSA-N 1 0 295.358 1.767 20 10 CDCDRO COCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060510 936675483 /nfs/dbraw/zinc/67/54/83/936675483.db2.gz ZLQVDWSVHXFNGU-CYBMUJFWSA-N 1 0 296.342 1.258 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1O ZINC001140178666 936684583 /nfs/dbraw/zinc/68/45/83/936684583.db2.gz 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O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(O)c(O)c1 ZINC001168984320 927572673 /nfs/dbraw/zinc/57/26/73/927572673.db2.gz LYWRNZWHXLWDDE-GXSJLCMTSA-N 1 0 294.307 1.316 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)C(=O)NC ZINC000697861299 937287266 /nfs/dbraw/zinc/28/72/66/937287266.db2.gz YREOOJZKPWRQIQ-SNVBAGLBSA-N 1 0 252.314 1.015 20 10 CDCDRO CCN(C(=O)c1cccc(O)c1O)C1CC[NH+](C)CC1 ZINC000861892743 929348050 /nfs/dbraw/zinc/34/80/50/929348050.db2.gz QVAZBIIADCNJMH-UHFFFAOYSA-N 1 0 278.352 1.654 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001253476073 930789583 /nfs/dbraw/zinc/78/95/83/930789583.db2.gz DINAETUQBZSXHD-NSHDSACASA-N 1 0 297.351 1.046 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2c(O)ccc3ccccc32)CC[C@H]1O ZINC001206097001 931161679 /nfs/dbraw/zinc/16/16/79/931161679.db2.gz FAJAGUMYFWWFRI-GDBMZVCRSA-N 1 0 272.348 1.439 20 10 CDCDRO CC[N@H+](CCN1CCCC1)Cc1c(O)cc(O)cc1O ZINC001144509271 931874990 /nfs/dbraw/zinc/87/49/90/931874990.db2.gz RHZNBSNEBHBUDU-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/44/53/03/939445303.db2.gz HOVVGNZKIDNDGW-UKRRQHHQSA-N 1 0 260.337 1.254 20 10 CDCDRO COc1cc(OC)c(N2CC[C@@H]([NH3+])C2)cc1C1OCCO1 ZINC001164281405 939445494 /nfs/dbraw/zinc/44/54/94/939445494.db2.gz BDOJLGVGLBDUGG-SNVBAGLBSA-N 1 0 294.351 1.287 20 10 CDCDRO CC1(C)CN(C2C[NH+](Cc3ccccc3O)C2)CCO1 ZINC001203556216 939693242 /nfs/dbraw/zinc/69/32/42/939693242.db2.gz OMUQQGCXAWBJKG-UHFFFAOYSA-N 1 0 276.380 1.687 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c1O ZINC001203586083 939694907 /nfs/dbraw/zinc/69/49/07/939694907.db2.gz YACQYPKOSRQNME-PWSUYJOCSA-N 1 0 251.326 1.604 20 10 CDCDRO COC[C@H]1COCCN1Cc1cccc(OC)c1O ZINC001203599185 939695580 /nfs/dbraw/zinc/69/55/80/939695580.db2.gz BVGXOZSIMQMPEO-LBPRGKRZSA-N 1 0 267.325 1.248 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)c1 ZINC001203621002 939696944 /nfs/dbraw/zinc/69/69/44/939696944.db2.gz MYPAGMQTSLQAHH-QWHCGFSZSA-N 1 0 269.316 1.696 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC001203621684 939697360 /nfs/dbraw/zinc/69/73/60/939697360.db2.gz YQIHEWIBXMCNMM-NSHDSACASA-N 1 0 287.306 1.850 20 10 CDCDRO COc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001203628659 939697904 /nfs/dbraw/zinc/69/79/04/939697904.db2.gz FWKYZUKZFYARPY-LBPRGKRZSA-N 1 0 298.333 1.926 20 10 CDCDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203873304 939709770 /nfs/dbraw/zinc/70/97/70/939709770.db2.gz BOZCFKZLECBXTF-UHFFFAOYSA-N 1 0 276.336 1.200 20 10 CDCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203876370 939710571 /nfs/dbraw/zinc/71/05/71/939710571.db2.gz BZCHBTQCLZTKMH-IUODEOHRSA-N 1 0 279.336 1.193 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204272440 939749841 /nfs/dbraw/zinc/74/98/41/939749841.db2.gz OAOBHBVEQDYTFA-UHFFFAOYSA-N 1 0 264.325 1.152 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272594 939750133 /nfs/dbraw/zinc/75/01/33/939750133.db2.gz QWRFNTHKUOYBGM-UHFFFAOYSA-N 1 0 264.325 1.198 20 10 CDCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204275116 939750149 /nfs/dbraw/zinc/75/01/49/939750149.db2.gz XDMZGQOUWYLTEQ-IUODEOHRSA-N 1 0 279.336 1.193 20 10 CDCDRO Oc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC001204274703 939750218 /nfs/dbraw/zinc/75/02/18/939750218.db2.gz GXQKGEZONBLXRL-CYBMUJFWSA-N 1 0 278.352 1.004 20 10 CDCDRO CCC1(O)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278552 939750866 /nfs/dbraw/zinc/75/08/66/939750866.db2.gz FNLKXVKYNQHNLK-UHFFFAOYSA-N 1 0 251.326 1.835 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC001204281089 939752268 /nfs/dbraw/zinc/75/22/68/939752268.db2.gz QDPJKMBRYRDCNS-UHFFFAOYSA-N 1 0 265.309 1.437 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001204326384 939756079 /nfs/dbraw/zinc/75/60/79/939756079.db2.gz XQHCLLDHIAEJFK-WBVHZDCISA-N 1 0 290.407 1.462 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@](C)(CO)C2)cc(O)c1O ZINC001204343844 939757295 /nfs/dbraw/zinc/75/72/95/939757295.db2.gz TTYDTEVCMVCOIT-CQSZACIVSA-N 1 0 267.325 1.311 20 10 CDCDRO COc1cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc(O)c1O ZINC001204345070 939758476 /nfs/dbraw/zinc/75/84/76/939758476.db2.gz GPMAPPZEKJHAJQ-VWUVDNNOSA-N 1 0 291.347 1.716 20 10 CDCDRO CCN(CCC[NH+](C)C)Cc1cc(O)c(O)c(OC)c1 ZINC001204348807 939759293 /nfs/dbraw/zinc/75/92/93/939759293.db2.gz IQEVEDWETXCVSU-UHFFFAOYSA-N 1 0 282.384 1.880 20 10 CDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1c(O)ccc(F)c1F)C2 ZINC001276470121 939769306 /nfs/dbraw/zinc/76/93/06/939769306.db2.gz IVYCHVSUBPDNHA-ZJUUUORDSA-N 1 0 268.307 1.806 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2cc(Cl)c(O)cc2O)CC(F)(F)C1 ZINC001206140545 939985894 /nfs/dbraw/zinc/98/58/94/939985894.db2.gz ZZWMAOVEQSXKOT-QMMMGPOBSA-N 1 0 292.713 1.920 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@H]1F ZINC001206197980 939995946 /nfs/dbraw/zinc/99/59/46/939995946.db2.gz KPSHHVIZFFWHEM-GXSJLCMTSA-N 1 0 274.286 1.932 20 10 CDCDRO Cn1ccc2c1nccc2-c1cnn(CC[NH+](C)C)c1 ZINC001206368048 940027484 /nfs/dbraw/zinc/02/74/84/940027484.db2.gz SLNHQNLROWVZDB-UHFFFAOYSA-N 1 0 269.352 1.998 20 10 CDCDRO Cc1cc(Cl)cc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206535232 940055914 /nfs/dbraw/zinc/05/59/14/940055914.db2.gz GTNVMCHSKNECND-JQWIXIFHSA-N 1 0 270.760 1.105 20 10 CDCDRO O=C1c2cccc(O)c2C(=O)c2c(OC3C[NH2+]C3)cccc21 ZINC001218050181 941037771 /nfs/dbraw/zinc/03/77/71/941037771.db2.gz PZETWADNATXUIK-UHFFFAOYSA-N 1 0 295.294 1.518 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC001219653215 941370975 /nfs/dbraw/zinc/37/09/75/941370975.db2.gz BJFOAVDWOZNOAZ-AAEUAGOBSA-N 1 0 261.369 1.173 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)cc1 ZINC001276958022 941731095 /nfs/dbraw/zinc/73/10/95/941731095.db2.gz CDHHHWGWELSBRW-IUODEOHRSA-N 1 0 259.353 1.060 20 10 CDCDRO COC[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC001231595425 942940405 /nfs/dbraw/zinc/94/04/05/942940405.db2.gz ZYOCBKWMVWEXQN-CYBMUJFWSA-N 1 0 251.326 1.548 20 10 CDCDRO COc1cc(CN2CCO[C@]3(CCOC3)C2)c(O)cc1O ZINC001231633639 942949969 /nfs/dbraw/zinc/94/99/69/942949969.db2.gz RIBKPBGVVKZJTR-OAHLLOKOSA-N 1 0 295.335 1.098 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(O)cc1O ZINC001231637982 942954611 /nfs/dbraw/zinc/95/46/11/942954611.db2.gz SHWUMYBIBHPWIT-JQWIXIFHSA-N 1 0 291.347 1.907 20 10 CDCDRO OC[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232257329 943190012 /nfs/dbraw/zinc/19/00/12/943190012.db2.gz AOVOCOLFFOIXOS-VIFPVBQESA-N 1 0 271.744 1.956 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1Cl ZINC001232257845 943191324 /nfs/dbraw/zinc/19/13/24/943191324.db2.gz KDRNUGIHJJBMHB-AOOOYVTPSA-N 1 0 269.728 1.829 20 10 CDCDRO OC[C@H]1CN(Cc2cc(O)c(O)c(O)c2)CCC1(F)F ZINC001233010157 943460364 /nfs/dbraw/zinc/46/03/64/943460364.db2.gz MBVGZAQZPAEAHD-SECBINFHSA-N 1 0 289.278 1.253 20 10 CDCDRO Oc1cc(CN2CC(N3CC[C@H](F)C3)C2)cc(O)c1O ZINC001233016657 943464889 /nfs/dbraw/zinc/46/48/89/943464889.db2.gz INPOIOMMZQNSKJ-JTQLQIEISA-N 1 0 282.315 1.031 20 10 CDCDRO OCC1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454020 943587664 /nfs/dbraw/zinc/58/76/64/943587664.db2.gz CUPZQCZSRHLERI-UHFFFAOYSA-N 1 0 261.243 1.835 20 10 CDCDRO CC(C)C[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233483549 943593013 /nfs/dbraw/zinc/59/30/13/943593013.db2.gz CYMBKBFQHGEMBU-UHFFFAOYSA-N 1 0 280.368 1.577 20 10 CDCDRO CC(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486315 943593945 /nfs/dbraw/zinc/59/39/45/943593945.db2.gz IKIXCUPMCSNQBX-JTQLQIEISA-N 1 0 265.309 1.604 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485757 943594645 /nfs/dbraw/zinc/59/46/45/943594645.db2.gz JUXMSDBGCNDVPP-GXSJLCMTSA-N 1 0 295.335 1.434 20 10 CDCDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2cccc(O)c2O)C1 ZINC001263894369 944023402 /nfs/dbraw/zinc/02/34/02/944023402.db2.gz CZZFNTQCZQQDHP-JTQLQIEISA-N 1 0 264.325 1.056 20 10 CDCDRO Oc1cc(Cl)ccc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051682 944024620 /nfs/dbraw/zinc/02/46/20/944024620.db2.gz BEUGBFFABAGGTO-CQSZACIVSA-N 1 0 281.787 1.183 20 10 CDCDRO COc1cc(O)c(CN(C2CC2)C2C[NH2+]C2)c(Cl)c1 ZINC001236063901 944397838 /nfs/dbraw/zinc/39/78/38/944397838.db2.gz KQSZDTPKGOHYCR-UHFFFAOYSA-N 1 0 282.771 1.990 20 10 CDCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001236291632 944449997 /nfs/dbraw/zinc/44/99/97/944449997.db2.gz MJTXDAITZVAIEK-PWSUYJOCSA-N 1 0 297.196 1.867 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001236787349 944568687 /nfs/dbraw/zinc/56/86/87/944568687.db2.gz BJKVIRROTPDJDV-CQSZACIVSA-N 1 0 274.364 1.761 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+](C)CC2)c(Cl)c1 ZINC001236805218 944572980 /nfs/dbraw/zinc/57/29/80/944572980.db2.gz XNSOUWVOTOFHLY-UHFFFAOYSA-N 1 0 270.760 1.802 20 10 CDCDRO COC(=O)C1(O)CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237494724 944816383 /nfs/dbraw/zinc/81/63/83/944816383.db2.gz LBMYMZKCTXMAFY-UHFFFAOYSA-N 1 0 279.336 1.201 20 10 CDCDRO COCC1C[NH+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237671419 944916988 /nfs/dbraw/zinc/91/69/88/944916988.db2.gz BUMLYNZKSPFFES-UHFFFAOYSA-N 1 0 267.325 1.488 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)c(OC)c1 ZINC001237674582 944918399 /nfs/dbraw/zinc/91/83/99/944918399.db2.gz JCAWYJTXUFWRHN-OAHLLOKOSA-N 1 0 281.352 1.614 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c(O)c(OC)c1 ZINC001237680348 944922490 /nfs/dbraw/zinc/92/24/90/944922490.db2.gz JEZOTFHDHLOHFT-LLVKDONJSA-N 1 0 279.336 1.820 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238060658 945045550 /nfs/dbraw/zinc/04/55/50/945045550.db2.gz DHXYKMNAAHWRRG-CQSZACIVSA-N 1 0 280.343 1.940 20 10 CDCDRO C[N@@H+]1CCC[C@H](NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001254507549 947468211 /nfs/dbraw/zinc/46/82/11/947468211.db2.gz MMLOTZSJCPMZLG-LBPRGKRZSA-N 1 0 278.352 1.354 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246466149 948189283 /nfs/dbraw/zinc/18/92/83/948189283.db2.gz MTCOLQOJZHJXRC-GJZGRUSLSA-N 1 0 291.395 1.085 20 10 CDCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccccc1O ZINC001256320771 948270505 /nfs/dbraw/zinc/27/05/05/948270505.db2.gz XTKDVKOCKSADEZ-GFCCVEGCSA-N 1 0 278.352 1.119 20 10 CDCDRO CC(C)(C)OC(=O)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253701724 952048603 /nfs/dbraw/zinc/04/86/03/952048603.db2.gz QZXAFEXZRYFDIZ-CYBMUJFWSA-N 1 0 293.363 1.414 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1ccc(N2CCCC2)cc1 ZINC001327742724 955025079 /nfs/dbraw/zinc/02/50/79/955025079.db2.gz VWFRKTJUUVANRW-UHFFFAOYSA-N 1 0 275.396 1.984 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001328221185 955229402 /nfs/dbraw/zinc/22/94/02/955229402.db2.gz QYKFDEFDIXUQAN-HNNXBMFYSA-N 1 0 287.407 1.903 20 10 CDCDRO O=S1(=O)CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001308764045 956573756 /nfs/dbraw/zinc/57/37/56/956573756.db2.gz DPEVUNOIFTZASS-LLVKDONJSA-N 1 0 289.784 1.712 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001333570100 958424954 /nfs/dbraw/zinc/42/49/54/958424954.db2.gz UZDZJPCFEIXLSJ-OKILXGFUSA-N 1 0 288.395 1.398 20 10 CDCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC001334160806 958891328 /nfs/dbraw/zinc/89/13/28/958891328.db2.gz HEVGGSPDSVKFDP-WCQYABFASA-N 1 0 276.384 1.384 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001337536502 961263300 /nfs/dbraw/zinc/26/33/00/961263300.db2.gz UXYVKLLYXCBENZ-STMXVASLSA-N 1 0 290.363 1.712 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)c1ccccc1O ZINC001337942293 961531409 /nfs/dbraw/zinc/53/14/09/961531409.db2.gz ILIVTADQVDKBEH-WDEREUQCSA-N 1 0 265.357 1.608 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])C(C)(C)O ZINC001340319859 962886407 /nfs/dbraw/zinc/88/64/07/962886407.db2.gz NWAUDCLRRUPHAG-CQSZACIVSA-N 1 0 293.411 1.199 20 10 CDCDRO Nc1ccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC001342701437 963801556 /nfs/dbraw/zinc/80/15/56/963801556.db2.gz YSUDDKPLMNJURM-DZGCQCFKSA-N 1 0 259.353 1.275 20 10 CDCDRO Cc1cc(O)c(CN(C)Cc2cn(C)nn2)cc1C ZINC001350593561 966704176 /nfs/dbraw/zinc/70/41/76/966704176.db2.gz KTDPPEVBXSOJDC-UHFFFAOYSA-N 1 0 260.341 1.770 20 10 CDCDRO Cn1cccc1CNC(=S)NCC[NH+]1CCCCC1 ZINC001200433272 968195233 /nfs/dbraw/zinc/19/52/33/968195233.db2.gz JRWGEPHXWQETCF-UHFFFAOYSA-N 1 0 280.441 1.475 20 10 CDCDRO C[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[NH2+]1 ZINC001576667906 1171486375 /nfs/dbraw/zinc/48/63/75/1171486375.db2.gz WLHWZUHSKLYLJJ-CABZTGNLSA-N 1 0 289.339 1.719 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000160245164 342482835 /nfs/dbraw/zinc/48/28/35/342482835.db2.gz WKVRYCQWDUFAFO-ZDUSSCGKSA-N 1 0 294.395 1.935 20 10 CDCDRO Cc1ccc2c(n1)OCCN2C(=O)C=Cc1c[nH]cn1 ZINC000492904630 366185073 /nfs/dbraw/zinc/18/50/73/366185073.db2.gz XFDDNHGUQGUDOC-HYXAFXHYSA-N 1 0 270.292 1.552 20 10 CDCDRO CCOCCN1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179669405 357219656 /nfs/dbraw/zinc/21/96/56/357219656.db2.gz HNQVXDDPNWQVAK-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000184546965 357487960 /nfs/dbraw/zinc/48/79/60/357487960.db2.gz PXAZZRUWPWPNCA-UHFFFAOYSA-N 1 0 264.369 1.025 20 10 CDCDRO Cc1ccc(O)c(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188897996 357950155 /nfs/dbraw/zinc/95/01/55/357950155.db2.gz JFNDAPVJWRYTEK-CQSZACIVSA-N 1 0 292.423 1.978 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000020120768 358329018 /nfs/dbraw/zinc/32/90/18/358329018.db2.gz PSXHYGMNXVDIGR-UHFFFAOYSA-N 1 0 294.395 1.601 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H](O)C2)c1O ZINC000294923748 199251069 /nfs/dbraw/zinc/25/10/69/199251069.db2.gz YXEMGDWDURAIDV-LBPRGKRZSA-N 1 0 271.744 1.547 20 10 CDCDRO COc1cccc(C[NH2+]CC2(OC)CCOCC2)c1O ZINC000123209465 360268644 /nfs/dbraw/zinc/26/86/44/360268644.db2.gz WRRLPOMEXJLGIT-UHFFFAOYSA-N 1 0 281.352 1.686 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152977075 361322467 /nfs/dbraw/zinc/32/24/67/361322467.db2.gz PYZAEHVENYSDTI-ZACQAIPSSA-N 1 0 288.391 1.933 20 10 CDCDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268927948 364114073 /nfs/dbraw/zinc/11/40/73/364114073.db2.gz YMVGKXZCCCIQHO-KGLIPLIRSA-N 1 0 278.396 1.945 20 10 CDCDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268926962 364115207 /nfs/dbraw/zinc/11/52/07/364115207.db2.gz YMVGKXZCCCIQHO-KBPBESRZSA-N 1 0 278.396 1.945 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H]1O ZINC000271907412 365006431 /nfs/dbraw/zinc/00/64/31/365006431.db2.gz LUIQTNJOUVZVPH-MFKMUULPSA-N 1 0 281.352 1.612 20 10 CDCDRO CCN(Cc1cccc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179562166 364993889 /nfs/dbraw/zinc/99/38/89/364993889.db2.gz GMFPYROPEYMYSR-CYBMUJFWSA-N 1 0 283.393 1.710 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)C[NH3+] ZINC000566917315 370840869 /nfs/dbraw/zinc/84/08/69/370840869.db2.gz HZILIWBPGNLNGB-UHFFFAOYSA-N 1 0 277.368 1.463 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000282407143 367871118 /nfs/dbraw/zinc/87/11/18/367871118.db2.gz CYUHDRVVCJWSBR-GFCCVEGCSA-N 1 0 269.366 1.320 20 10 CDCDRO OCCOC1(C[NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000282433581 367882450 /nfs/dbraw/zinc/88/24/50/367882450.db2.gz FKVSACJQULGSMY-UHFFFAOYSA-N 1 0 299.342 1.179 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cccc(OC)c2O)[C@H](C)C1 ZINC000289199481 369531634 /nfs/dbraw/zinc/53/16/34/369531634.db2.gz BGEJDIODZMINOR-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000295134343 371134160 /nfs/dbraw/zinc/13/41/60/371134160.db2.gz YXAVSSJAJMHFAB-INIZCTEOSA-N 1 0 273.380 1.413 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1O ZINC000273580547 371168380 /nfs/dbraw/zinc/16/83/80/371168380.db2.gz MOGRIWUIKKVVJM-WCBMZHEXSA-N 1 0 252.289 1.413 20 10 CDCDRO Cn1cc(CC[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000295778450 371396931 /nfs/dbraw/zinc/39/69/31/371396931.db2.gz ATZBNMDZHVBMSW-ZDUSSCGKSA-N 1 0 257.337 1.945 20 10 CDCDRO COCCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295909289 371401138 /nfs/dbraw/zinc/40/11/38/371401138.db2.gz JCXZHMVYJMVIJM-LBPRGKRZSA-N 1 0 251.326 1.632 20 10 CDCDRO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109771316 390648734 /nfs/dbraw/zinc/64/87/34/390648734.db2.gz CAYLYHCIZPBIBG-NSHDSACASA-N 1 0 293.367 1.447 20 10 CDCDRO COCC[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000120890087 390877639 /nfs/dbraw/zinc/87/76/39/390877639.db2.gz LNXFXYJRKQLXFH-UHFFFAOYSA-N 1 0 277.412 1.517 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665157 390904020 /nfs/dbraw/zinc/90/40/20/390904020.db2.gz RZJKNIKDUWMASC-OAHLLOKOSA-N 1 0 290.407 1.855 20 10 CDCDRO c1cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2c1OCC2 ZINC000112839299 391140026 /nfs/dbraw/zinc/14/00/26/391140026.db2.gz MFXPTDRNEQZZAP-CVEARBPZSA-N 1 0 288.391 1.574 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](C)CN2CCOCC2)c1O ZINC000124707863 391224780 /nfs/dbraw/zinc/22/47/80/391224780.db2.gz WCOSEHAETWQQDE-CYBMUJFWSA-N 1 0 264.369 1.511 20 10 CDCDRO CCOc1cccc(C[NH2+]Cc2cnnn2CC)c1O ZINC000527729528 392987813 /nfs/dbraw/zinc/98/78/13/392987813.db2.gz ZFIDEEQEHZGRNJ-UHFFFAOYSA-N 1 0 276.340 1.692 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038083265 174092709 /nfs/dbraw/zinc/09/27/09/174092709.db2.gz RCJRJCPSWZXEIY-RYUDHWBXSA-N 1 0 283.393 1.786 20 10 CDCDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000128310625 260374097 /nfs/dbraw/zinc/37/40/97/260374097.db2.gz VREOYWROIPXGRA-GFCCVEGCSA-N 1 0 275.396 1.929 20 10 CDCDRO CC[C@@H](C(=O)NCc1cccc(OC)c1O)[NH+](C)C ZINC000155365447 261101120 /nfs/dbraw/zinc/10/11/20/261101120.db2.gz QAUVEVIHNPDIRP-NSHDSACASA-N 1 0 266.341 1.357 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3CCC[NH2+]C3)ccc21 ZINC000166473171 261390260 /nfs/dbraw/zinc/39/02/60/261390260.db2.gz KEPBDDDHRILGPH-HNNXBMFYSA-N 1 0 287.407 1.685 20 10 CDCDRO OCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccco1 ZINC000184508508 262021640 /nfs/dbraw/zinc/02/16/40/262021640.db2.gz PLEYVIVXKYWCSX-LLVKDONJSA-N 1 0 291.303 1.927 20 10 CDCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1cc2c(cc1O)CCCC2 ZINC000185226600 262047199 /nfs/dbraw/zinc/04/71/99/262047199.db2.gz UBLWSPUSPBCXCY-LLVKDONJSA-N 1 0 297.420 1.966 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)c(O)c1 ZINC000186178303 262083338 /nfs/dbraw/zinc/08/33/38/262083338.db2.gz ZHKCYZROLNUMLE-SMDDNHRTSA-N 1 0 251.326 1.503 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000281249105 277254996 /nfs/dbraw/zinc/25/49/96/277254996.db2.gz WZPQYAXEYIWWTM-MRXNPFEDSA-N 1 0 293.386 1.850 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218372 327190180 /nfs/dbraw/zinc/19/01/80/327190180.db2.gz FIVFFBYWGXQOFZ-INIZCTEOSA-N 1 0 290.407 1.997 20 10 CDCDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230688564 333321069 /nfs/dbraw/zinc/32/10/69/333321069.db2.gz PGLVDZPBWNMSEV-LLVKDONJSA-N 1 0 267.325 1.618 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1CC[NH2+]C1 ZINC000130924189 333889567 /nfs/dbraw/zinc/88/95/67/333889567.db2.gz FSLXNAWZGSDDGU-GFCCVEGCSA-N 1 0 289.379 1.478 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c(O)c1 ZINC000278575964 520368330 /nfs/dbraw/zinc/36/83/30/520368330.db2.gz FEAJQRIOXLPWMG-BLLLJJGKSA-N 1 0 295.379 1.811 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070577458 522199798 /nfs/dbraw/zinc/19/97/98/522199798.db2.gz CEBYSDILFHCGAC-ZIAGYGMSSA-N 1 0 275.396 1.886 20 10 CDCDRO COC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278270165 522220204 /nfs/dbraw/zinc/22/02/04/522220204.db2.gz ROPIDIPYZRSYPE-SECBINFHSA-N 1 0 284.312 1.776 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000278682997 522751597 /nfs/dbraw/zinc/75/15/97/522751597.db2.gz PDVRVVKPHUDCMH-GOEBONIOSA-N 1 0 277.364 1.905 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1OC ZINC000277242582 523737998 /nfs/dbraw/zinc/73/79/98/523737998.db2.gz NHYQCXDAIDLVRG-GASCZTMLSA-N 1 0 282.359 1.737 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1OC ZINC000277101874 523739194 /nfs/dbraw/zinc/73/91/94/523739194.db2.gz VKVFVQYHXXCFHR-GASCZTMLSA-N 1 0 265.353 1.855 20 10 CDCDRO CN1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000037248587 523778814 /nfs/dbraw/zinc/77/88/14/523778814.db2.gz SMTLHQJNPAOEFK-UHFFFAOYSA-N 1 0 289.423 1.707 20 10 CDCDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccccc1O)CCO2 ZINC000279748063 525043290 /nfs/dbraw/zinc/04/32/90/525043290.db2.gz YEWJWVWWIXNRNO-IUODEOHRSA-N 1 0 263.337 1.772 20 10 CDCDRO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000237585548 525416745 /nfs/dbraw/zinc/41/67/45/525416745.db2.gz LKHKLZSRCSCJRB-IUODEOHRSA-N 1 0 275.396 1.752 20 10 CDCDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000121169218 525436362 /nfs/dbraw/zinc/43/63/62/525436362.db2.gz QCCAPCWOLNROJC-GFCCVEGCSA-N 1 0 299.440 1.343 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@H](O)C[NH+]1CCCC1 ZINC000264978898 526364225 /nfs/dbraw/zinc/36/42/25/526364225.db2.gz SYASACJRPXLLNU-NSHDSACASA-N 1 0 284.787 1.592 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C(C)(C)C)cc1 ZINC000105854940 1174708624 /nfs/dbraw/zinc/70/86/24/1174708624.db2.gz AFSZLXQHNJIUIU-UHFFFAOYSA-N 1 0 263.385 1.757 20 10 CDCDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000729286578 574745661 /nfs/dbraw/zinc/74/56/61/574745661.db2.gz DOQZUHYDEZPLOK-OAHLLOKOSA-N 1 0 287.407 1.855 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC000729528932 574815346 /nfs/dbraw/zinc/81/53/46/574815346.db2.gz LSSZIDWBDAZMLM-LBPRGKRZSA-N 1 0 279.359 1.460 20 10 CDCDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1=CC(=O)CS1 ZINC000731878851 575068065 /nfs/dbraw/zinc/06/80/65/575068065.db2.gz OHORBSRHMORCDO-GXSJLCMTSA-N 1 0 282.365 1.047 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCOC1 ZINC000768448104 575130411 /nfs/dbraw/zinc/13/04/11/575130411.db2.gz BKRVGTSVDVJQNL-ZWNOBZJWSA-N 1 0 265.309 1.039 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2CCN(C=O)CC2)c1 ZINC000774245308 575191158 /nfs/dbraw/zinc/19/11/58/575191158.db2.gz SWWZDRUJAAAQRD-UHFFFAOYSA-N 1 0 264.325 1.111 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000770751725 575495081 /nfs/dbraw/zinc/49/50/81/575495081.db2.gz AOYONOIIEPLJEZ-BLLLJJGKSA-N 1 0 293.363 1.829 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000771928179 575637892 /nfs/dbraw/zinc/63/78/92/575637892.db2.gz QUAMRBMHPFPTPE-NSHDSACASA-N 1 0 251.326 1.605 20 10 CDCDRO CS[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@@H]1[NH+](C)C ZINC000765273773 576003597 /nfs/dbraw/zinc/00/35/97/576003597.db2.gz XOVOIZOMSDJQKB-GXSJLCMTSA-N 1 0 286.422 1.571 20 10 CDCDRO Cn1cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)cn1 ZINC000768438532 576282755 /nfs/dbraw/zinc/28/27/55/576282755.db2.gz BGKJSIMMDIKIJR-CQSZACIVSA-N 1 0 289.335 1.184 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1c(O)cccc1OC ZINC000768993365 576321528 /nfs/dbraw/zinc/32/15/28/576321528.db2.gz VHZGWLCGGAMPJN-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000754887782 576920831 /nfs/dbraw/zinc/92/08/31/576920831.db2.gz FNDFUKGSDIPWBF-GFCCVEGCSA-N 1 0 299.392 1.458 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(F)ccc1O ZINC000756537397 576994276 /nfs/dbraw/zinc/99/42/76/576994276.db2.gz YPZIZDFMQYYFHA-NWDGAFQWSA-N 1 0 282.359 1.903 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c(O)c1C ZINC000756554794 576995424 /nfs/dbraw/zinc/99/54/24/576995424.db2.gz JEMUODOSNHXXPQ-CHWSQXEVSA-N 1 0 266.385 1.582 20 10 CDCDRO CCc1nncn1CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000756618563 576997510 /nfs/dbraw/zinc/99/75/10/576997510.db2.gz CQBAVLLHCJPMKO-LLVKDONJSA-N 1 0 290.367 1.906 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1O ZINC000757663530 577049250 /nfs/dbraw/zinc/04/92/50/577049250.db2.gz CBVROKSKVSKPSN-FZMZJTMJSA-N 1 0 289.379 1.674 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1O ZINC000892266613 617613707 /nfs/dbraw/zinc/61/37/07/617613707.db2.gz CYVJZWLSGVLNJG-RISCZKNCSA-N 1 0 289.379 1.895 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CC[C@H](C)C2)c(O)c1OC ZINC000893355224 617658934 /nfs/dbraw/zinc/65/89/34/617658934.db2.gz VMQPIJHIJUEVTH-LBPRGKRZSA-N 1 0 294.395 1.841 20 10 CDCDRO CC(C)([NH3+])CCNC(=O)NCc1ccccc1O ZINC000892854880 617831671 /nfs/dbraw/zinc/83/16/71/617831671.db2.gz URDHFVPFMOBTGD-UHFFFAOYSA-N 1 0 251.330 1.319 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C)C2)c(O)c1OC ZINC000892935638 617927599 /nfs/dbraw/zinc/92/75/99/617927599.db2.gz BWYQVNLUCSJNKF-LLVKDONJSA-N 1 0 266.341 1.203 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000840977852 617984387 /nfs/dbraw/zinc/98/43/87/617984387.db2.gz KLSNYKGFOHXXBF-RYUDHWBXSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](CO)SC)c1O ZINC000894281348 618450483 /nfs/dbraw/zinc/45/04/83/618450483.db2.gz OPNNZPDZCDSXCI-GXFFZTMASA-N 1 0 285.409 1.911 20 10 CDCDRO Cc1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nn1C ZINC000841042773 618677578 /nfs/dbraw/zinc/67/75/78/618677578.db2.gz NXIJQFKJVVYARS-MRXNPFEDSA-N 1 0 287.411 1.584 20 10 CDCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841044387 618678654 /nfs/dbraw/zinc/67/86/54/618678654.db2.gz DQVOZNFALVQRCI-UHFFFAOYSA-N 1 0 287.766 1.180 20 10 CDCDRO COC[C@]1(CNCc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000841066526 618680290 /nfs/dbraw/zinc/68/02/90/618680290.db2.gz MMIPOUNFPNPZAI-MRXNPFEDSA-N 1 0 277.412 1.611 20 10 CDCDRO Cn1nccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057894 618692005 /nfs/dbraw/zinc/69/20/05/618692005.db2.gz WZHTZXOFOITJPZ-UHFFFAOYSA-N 1 0 256.353 1.832 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)O)c1O ZINC000894437953 618887429 /nfs/dbraw/zinc/88/74/29/618887429.db2.gz UACHTHDKCCDHPU-GHMZBOCLSA-N 1 0 253.342 1.958 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1O ZINC000894455458 618896865 /nfs/dbraw/zinc/89/68/65/618896865.db2.gz CLIZGPFSUABOLF-CQSZACIVSA-N 1 0 292.379 1.226 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)[C@H]1OC ZINC000894466528 618903273 /nfs/dbraw/zinc/90/32/73/618903273.db2.gz HGKDFVHUUYGRAW-JGGQBBKZSA-N 1 0 295.379 1.991 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000894538347 618948991 /nfs/dbraw/zinc/94/89/91/618948991.db2.gz JUJABSXTXCVHCO-PWSUYJOCSA-N 1 0 251.326 1.664 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894542063 618952236 /nfs/dbraw/zinc/95/22/36/618952236.db2.gz WSRWLMQIKMDSQX-LLVKDONJSA-N 1 0 280.368 1.666 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000894664149 619007652 /nfs/dbraw/zinc/00/76/52/619007652.db2.gz VURSFGPMYPNTAM-GXFFZTMASA-N 1 0 278.352 1.323 20 10 CDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894992591 619181467 /nfs/dbraw/zinc/18/14/67/619181467.db2.gz KLEZJNRAWAUTEN-VIFPVBQESA-N 1 0 284.306 1.581 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000895323176 619553410 /nfs/dbraw/zinc/55/34/10/619553410.db2.gz AFMMPUMHHPBVLL-CVEARBPZSA-N 1 0 278.396 1.379 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1O ZINC000895328494 619566924 /nfs/dbraw/zinc/56/69/24/619566924.db2.gz GPVVOMXBSPBBLH-OCCSQVGLSA-N 1 0 251.326 1.018 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)c1O ZINC000895328493 619567119 /nfs/dbraw/zinc/56/71/19/619567119.db2.gz GPVVOMXBSPBBLH-JSGCOSHPSA-N 1 0 251.326 1.018 20 10 CDCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[NH3+] ZINC000841919720 620498414 /nfs/dbraw/zinc/49/84/14/620498414.db2.gz AHIJLEWIFLCXJO-UHFFFAOYSA-N 1 0 265.357 1.663 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000897683568 621071140 /nfs/dbraw/zinc/07/11/40/621071140.db2.gz DVPJXNFIGTUVAH-MLGOLLRUSA-N 1 0 294.370 1.475 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CNC[C@H]1CCC[NH2+]1 ZINC000841035805 621081028 /nfs/dbraw/zinc/08/10/28/621081028.db2.gz MQTIRZDCTIIBHA-OAHLLOKOSA-N 1 0 275.396 1.365 20 10 CDCDRO CON(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899104198 622047123 /nfs/dbraw/zinc/04/71/23/622047123.db2.gz QRZGKXYQRLYOET-AWEZNQCLSA-N 1 0 294.399 1.558 20 10 CDCDRO C[C@@H](NCC1([NH3+])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000902417722 624780673 /nfs/dbraw/zinc/78/06/73/624780673.db2.gz ZJJLTHQKKUFLAF-GFCCVEGCSA-N 1 0 293.386 1.804 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1c([O-])cccc1F ZINC000903227698 625926275 /nfs/dbraw/zinc/92/62/75/625926275.db2.gz MXNWOXOGBNGSEA-GFCCVEGCSA-N 1 0 282.359 1.904 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2COCC[C@H]2OC)c1O ZINC000903297819 625955713 /nfs/dbraw/zinc/95/57/13/625955713.db2.gz YGUHEDDQZQIDON-CYZMBNFOSA-N 1 0 281.352 1.855 20 10 CDCDRO O=C(NCc1ccc(O)cc1O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000910942273 629124084 /nfs/dbraw/zinc/12/40/84/629124084.db2.gz ATVVUXKYGTYABE-CQSZACIVSA-N 1 0 290.363 1.731 20 10 CDCDRO COc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC000128114762 1158783959 /nfs/dbraw/zinc/78/39/59/1158783959.db2.gz YDYSZOVFKUXQKN-AWEZNQCLSA-N 1 0 280.368 1.163 20 10 CDCDRO CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877077706 1165971389 /nfs/dbraw/zinc/97/13/89/1165971389.db2.gz RPVQTHIPEYXKHI-UHFFFAOYSA-N 1 0 299.378 1.207 20 10 CDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCOC1 ZINC000922183904 837422832 /nfs/dbraw/zinc/42/28/32/837422832.db2.gz CKLSZEOORPNVMM-CVEARBPZSA-N 1 0 291.391 1.889 20 10 CDCDRO CC[C@@H](OC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280311 837426630 /nfs/dbraw/zinc/42/66/30/837426630.db2.gz OSXLLSDTCDKJQY-UONOGXRCSA-N 1 0 279.384 1.294 20 10 CDCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000825628966 837697978 /nfs/dbraw/zinc/69/79/78/837697978.db2.gz OETXADPOSCURSY-MFKMUULPSA-N 1 0 298.180 1.969 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000858282239 837708696 /nfs/dbraw/zinc/70/86/96/837708696.db2.gz VHERMRRGFJZRMT-CYBMUJFWSA-N 1 0 289.379 1.737 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000312305109 835772381 /nfs/dbraw/zinc/77/23/81/835772381.db2.gz XUDKSGZSNZBISL-HNNXBMFYSA-N 1 0 275.396 1.838 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1c(O)cccc1Br ZINC000706883661 835809575 /nfs/dbraw/zinc/80/95/75/835809575.db2.gz UCWDVEMWFJQPLD-SSDOTTSWSA-N 1 0 287.157 1.508 20 10 CDCDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000857226390 835823946 /nfs/dbraw/zinc/82/39/46/835823946.db2.gz MTYLEFNJZAVLRM-XHDPSFHLSA-N 1 0 276.336 1.434 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377135 835824494 /nfs/dbraw/zinc/82/44/94/835824494.db2.gz MZRSSONHKOBTEC-CJNGLKHVSA-N 1 0 280.412 1.589 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])N3CCC3)C2)cc1 ZINC000849043398 835856218 /nfs/dbraw/zinc/85/62/18/835856218.db2.gz BNVBLSAMOGKOFR-ZDUSSCGKSA-N 1 0 288.395 1.752 20 10 CDCDRO CC(C)[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccccc1O ZINC000879649551 835885416 /nfs/dbraw/zinc/88/54/16/835885416.db2.gz VXCVNRDHCJOLOE-OLZOCXBDSA-N 1 0 266.385 1.744 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC[NH2+]1 ZINC000830597491 835897723 /nfs/dbraw/zinc/89/77/23/835897723.db2.gz LCTBQTNQJOKMSV-CYBMUJFWSA-N 1 0 260.337 1.249 20 10 CDCDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868808 835901863 /nfs/dbraw/zinc/90/18/63/835901863.db2.gz OPFUNCNWALPZEQ-LBPRGKRZSA-N 1 0 291.395 1.001 20 10 CDCDRO O=C(NCc1ccccc1O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000828015224 835909159 /nfs/dbraw/zinc/90/91/59/835909159.db2.gz BBDZKLUURBWHKI-JTQLQIEISA-N 1 0 286.335 1.122 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1 ZINC000838913644 836018143 /nfs/dbraw/zinc/01/81/43/836018143.db2.gz WBGZLFZJNVAYCM-MNOVXSKESA-N 1 0 278.352 1.578 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)CC1=O ZINC000824887037 836041058 /nfs/dbraw/zinc/04/10/58/836041058.db2.gz OWXDASCVAYTKGS-LLVKDONJSA-N 1 0 294.351 1.120 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c(O)c1 ZINC000832178879 836076062 /nfs/dbraw/zinc/07/60/62/836076062.db2.gz YSXBOOQKIZZABT-CJNGLKHVSA-N 1 0 292.379 1.925 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1C ZINC000280378496 836144229 /nfs/dbraw/zinc/14/42/29/836144229.db2.gz VVRCYTVXARSUAE-DGCLKSJQSA-N 1 0 263.337 1.942 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1C ZINC000835061370 836150247 /nfs/dbraw/zinc/15/02/47/836150247.db2.gz RWSCQMCDXJOFSW-OAHLLOKOSA-N 1 0 262.353 1.767 20 10 CDCDRO CSC[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274586 836154274 /nfs/dbraw/zinc/15/42/74/836154274.db2.gz WBCFGSBHODQTTH-RISCZKNCSA-N 1 0 295.452 1.868 20 10 CDCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cc1ccc(N)cc1 ZINC000831875859 836240191 /nfs/dbraw/zinc/24/01/91/836240191.db2.gz CNVSHOIRONFUDP-CYBMUJFWSA-N 1 0 289.423 2.000 20 10 CDCDRO O=C1[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C[C@H]2CCCCN12 ZINC000883140067 836263713 /nfs/dbraw/zinc/26/37/13/836263713.db2.gz IGVCBURYFLIZLV-YPMHNXCESA-N 1 0 296.317 1.913 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCOC[C@H]1C ZINC000877150066 836269130 /nfs/dbraw/zinc/26/91/30/836269130.db2.gz LJBLJHXGAFNSNN-CYBMUJFWSA-N 1 0 264.369 1.511 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1O ZINC000848565617 836272564 /nfs/dbraw/zinc/27/25/64/836272564.db2.gz YQANBCYRUVYYSU-QWRGUYRKSA-N 1 0 272.352 1.729 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c1O ZINC000775983097 836317958 /nfs/dbraw/zinc/31/79/58/836317958.db2.gz BBZBYQPOLZVXJF-NWDGAFQWSA-N 1 0 264.369 1.925 20 10 CDCDRO C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1C[NH3+] ZINC000237507292 836331189 /nfs/dbraw/zinc/33/11/89/836331189.db2.gz OGNBILOKKYCIJL-RISCZKNCSA-N 1 0 261.369 1.397 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](C)CC(=O)NC)c(O)c1 ZINC000825068845 836367118 /nfs/dbraw/zinc/36/71/18/836367118.db2.gz YNZIGANSMAWXIQ-SNVBAGLBSA-N 1 0 266.341 1.405 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000826994341 836640732 /nfs/dbraw/zinc/64/07/32/836640732.db2.gz DKMZXORIQHTEBM-CYBMUJFWSA-N 1 0 276.336 1.727 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)c(O)c1 ZINC000800291485 836809979 /nfs/dbraw/zinc/80/99/79/836809979.db2.gz AUYKJNOGAHBITF-JTQLQIEISA-N 1 0 284.331 1.355 20 10 CDCDRO C[NH2+]CCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000037610646 836829181 /nfs/dbraw/zinc/82/91/81/836829181.db2.gz CBHMNVBHWZSIQP-UHFFFAOYSA-N 1 0 291.395 1.343 20 10 CDCDRO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1c(O)cccc1F ZINC000886511451 836879791 /nfs/dbraw/zinc/87/97/91/836879791.db2.gz UHJDJKYGBABKAU-VXGBXAGGSA-N 1 0 282.359 1.639 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN(C)CC[NH3+])c1O ZINC000842478803 836893091 /nfs/dbraw/zinc/89/30/91/836893091.db2.gz KEDISAFCMPEOQK-UHFFFAOYSA-N 1 0 256.733 1.639 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c(O)c1C ZINC000866421278 837071194 /nfs/dbraw/zinc/07/11/94/837071194.db2.gz YLHCOORHYWQGLP-RTXFEEFZSA-N 1 0 251.326 1.419 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000809740460 837104368 /nfs/dbraw/zinc/10/43/68/837104368.db2.gz ZLCFNIDMVFCAJY-LLVKDONJSA-N 1 0 275.352 1.855 20 10 CDCDRO CCOc1ccc(N(C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000809948745 837244253 /nfs/dbraw/zinc/24/42/53/837244253.db2.gz LGNTWKZDFKPVMF-OAHLLOKOSA-N 1 0 278.396 1.977 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c1O ZINC000848906005 837337359 /nfs/dbraw/zinc/33/73/59/837337359.db2.gz PLVLKWHZYHQMFR-BXUZGUMPSA-N 1 0 265.353 1.536 20 10 CDCDRO C[C@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000304145711 837383849 /nfs/dbraw/zinc/38/38/49/837383849.db2.gz XCZHKBZSBGFXRH-LBPRGKRZSA-N 1 0 282.359 1.523 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1 ZINC000878983902 837845975 /nfs/dbraw/zinc/84/59/75/837845975.db2.gz OEEXECLFYZPGNG-HZPDHXFCSA-N 1 0 278.396 1.460 20 10 CDCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877196028 837848110 /nfs/dbraw/zinc/84/81/10/837848110.db2.gz RLCCNOMIZTWBGD-KGLIPLIRSA-N 1 0 292.423 1.897 20 10 CDCDRO CSC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130715124 837950790 /nfs/dbraw/zinc/95/07/90/837950790.db2.gz QBIMSTBJOBBBCY-QMMMGPOBSA-N 1 0 255.339 1.962 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000840957572 838018892 /nfs/dbraw/zinc/01/88/92/838018892.db2.gz KXMQWPBCUAGHQE-GFCCVEGCSA-N 1 0 278.352 1.311 20 10 CDCDRO C[NH2+][C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000843048752 838706271 /nfs/dbraw/zinc/70/62/71/838706271.db2.gz VWAWPMJUSPBHCN-LBPRGKRZSA-N 1 0 280.368 1.593 20 10 CDCDRO CN(C)c1ccc([C@@H](N)C[NH2+]CC2=CCCOC2)cc1 ZINC000863642060 838810288 /nfs/dbraw/zinc/81/02/88/838810288.db2.gz PPJBIVQQMYWBOK-INIZCTEOSA-N 1 0 275.396 1.689 20 10 CDCDRO O=C(CO)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311190 838813678 /nfs/dbraw/zinc/81/36/78/838813678.db2.gz WUUSETDNUWVITB-LBPRGKRZSA-N 1 0 298.770 1.119 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000877477452 838816041 /nfs/dbraw/zinc/81/60/41/838816041.db2.gz FDNVPIMEXWXEEX-ZMZPIMSZSA-N 1 0 267.394 1.901 20 10 CDCDRO C[NH+](C)CC1(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000876528461 838970092 /nfs/dbraw/zinc/97/00/92/838970092.db2.gz PYNVZAIRMCZOSZ-UHFFFAOYSA-N 1 0 261.369 1.269 20 10 CDCDRO CCC[NH2+]CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841962147 839048887 /nfs/dbraw/zinc/04/88/87/839048887.db2.gz WZPNAACIDZQRDP-LLVKDONJSA-N 1 0 295.383 1.761 20 10 CDCDRO C[C@@H](O)[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000929636683 839148347 /nfs/dbraw/zinc/14/83/47/839148347.db2.gz YTUVAESGIGHMRD-MLGOLLRUSA-N 1 0 279.380 1.879 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000846144509 839151046 /nfs/dbraw/zinc/15/10/46/839151046.db2.gz HIZQNLPZXRXDHC-HZMBPMFUSA-N 1 0 283.393 1.919 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCCOC1 ZINC000107670226 839178670 /nfs/dbraw/zinc/17/86/70/839178670.db2.gz OMTSQWLGCPSPBU-NSHDSACASA-N 1 0 279.336 1.979 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840942361 839202400 /nfs/dbraw/zinc/20/24/00/839202400.db2.gz BZLYHEKFDFOHNN-AWEZNQCLSA-N 1 0 266.385 1.548 20 10 CDCDRO C[NH2+]CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841914376 839221766 /nfs/dbraw/zinc/22/17/66/839221766.db2.gz DBXVMJVBPQOBLG-UHFFFAOYSA-N 1 0 278.400 1.504 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000843434891 839263630 /nfs/dbraw/zinc/26/36/30/839263630.db2.gz OAMACYLRVUEDQS-UWVGGRQHSA-N 1 0 299.754 1.401 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000890073059 839273101 /nfs/dbraw/zinc/27/31/01/839273101.db2.gz FIOFCBOAGQLADU-ZDUSSCGKSA-N 1 0 277.368 1.628 20 10 CDCDRO C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)C(=O)[O-])cc2)CC1 ZINC000789897934 839314761 /nfs/dbraw/zinc/31/47/61/839314761.db2.gz QEWXNMYBYWSCOU-UHFFFAOYSA-N 1 0 291.395 1.391 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COC(C)C)c1 ZINC000182362518 839336536 /nfs/dbraw/zinc/33/65/36/839336536.db2.gz OQDIAKRQDPBGIU-RYUDHWBXSA-N 1 0 283.368 1.837 20 10 CDCDRO [NH3+]CC[C@H](NCc1cc2c(cc1O)OCO2)C(F)(F)F ZINC000841090483 839644367 /nfs/dbraw/zinc/64/43/67/839644367.db2.gz IQLSVSVUCTVUNZ-NSHDSACASA-N 1 0 292.257 1.490 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2C[NH2+]C2)c1 ZINC000817964895 839706388 /nfs/dbraw/zinc/70/63/88/839706388.db2.gz IQJFFLFDNRITDL-SECBINFHSA-N 1 0 264.325 1.049 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000877045622 839802731 /nfs/dbraw/zinc/80/27/31/839802731.db2.gz YHUBZJFLZCKWRR-ZDUSSCGKSA-N 1 0 265.353 1.986 20 10 CDCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824709944 839837995 /nfs/dbraw/zinc/83/79/95/839837995.db2.gz TUNJIXXLECZYLC-GDBMZVCRSA-N 1 0 277.364 1.763 20 10 CDCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000126919785 839844800 /nfs/dbraw/zinc/84/48/00/839844800.db2.gz QASAFGSDUBTUJW-WFASDCNBSA-N 1 0 275.396 1.757 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCNC2=O)cc1Cl ZINC000824943415 839874285 /nfs/dbraw/zinc/87/42/85/839874285.db2.gz NGBNZVZZWNRGII-LLVKDONJSA-N 1 0 268.744 1.674 20 10 CDCDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000711727969 839989635 /nfs/dbraw/zinc/98/96/35/839989635.db2.gz UHVYLGDNIURZRX-RISCZKNCSA-N 1 0 282.409 1.275 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841857935 840055616 /nfs/dbraw/zinc/05/56/16/840055616.db2.gz RPTPMPJNNMNEMK-SECBINFHSA-N 1 0 288.442 1.662 20 10 CDCDRO CO[C@]1(C)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000794649464 840095585 /nfs/dbraw/zinc/09/55/85/840095585.db2.gz LHUMMPAFXKWLFS-GOEBONIOSA-N 1 0 293.363 1.819 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709899 840128050 /nfs/dbraw/zinc/12/80/50/840128050.db2.gz OWNCKBNAGCWYOS-CYBMUJFWSA-N 1 0 290.411 1.681 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCN1C ZINC000858236055 840191305 /nfs/dbraw/zinc/19/13/05/840191305.db2.gz ZFJHRUUIZQDVOY-LLVKDONJSA-N 1 0 250.342 1.585 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000877574358 840198197 /nfs/dbraw/zinc/19/81/97/840198197.db2.gz HJYNSLJQCRCWHS-CYBMUJFWSA-N 1 0 291.395 1.936 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCCn2cncn2)c1O ZINC000381818569 840216130 /nfs/dbraw/zinc/21/61/30/840216130.db2.gz UDANVRPKVUKJHP-UHFFFAOYSA-N 1 0 296.758 1.826 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@@H](C[NH3+])C2)c1O ZINC000229102641 840236235 /nfs/dbraw/zinc/23/62/35/840236235.db2.gz YILYBYQZBRBXMC-VIFPVBQESA-N 1 0 270.760 1.835 20 10 CDCDRO C[NH+]1CCC(ONC(=O)C2=CC(=O)CS2)CC1 ZINC000846648076 840370200 /nfs/dbraw/zinc/37/02/00/840370200.db2.gz ODQQPVPKAXKFAW-UHFFFAOYSA-N 1 0 256.327 1.209 20 10 CDCDRO CN(C)c1ccc(CN2CCC[C@H]([NH3+])C2)cc1F ZINC000843043856 840376629 /nfs/dbraw/zinc/37/66/29/840376629.db2.gz LUGJXAFCMMDEBQ-LBPRGKRZSA-N 1 0 251.349 1.815 20 10 CDCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000782980411 840704352 /nfs/dbraw/zinc/70/43/52/840704352.db2.gz SDEHBVNAMVXWHQ-STQMWFEESA-N 1 0 296.386 1.911 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000777222852 840708607 /nfs/dbraw/zinc/70/86/07/840708607.db2.gz UMRJVILNJHEUER-NSHDSACASA-N 1 0 274.324 1.439 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000877545220 840745780 /nfs/dbraw/zinc/74/57/80/840745780.db2.gz HDTDRXLLSMWTOJ-LBPRGKRZSA-N 1 0 298.408 1.166 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H]1CCCOC1 ZINC000883203482 840799343 /nfs/dbraw/zinc/79/93/43/840799343.db2.gz DFTGESPHEFICJU-IUODEOHRSA-N 1 0 295.379 1.932 20 10 CDCDRO COc1ccc(CNC(=[NH2+])N2CCCCC2)c(O)c1 ZINC000849025065 840949486 /nfs/dbraw/zinc/94/94/86/840949486.db2.gz LYOORDBKLIYXKV-UHFFFAOYSA-N 1 0 263.341 1.911 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000828667026 841062229 /nfs/dbraw/zinc/06/22/29/841062229.db2.gz LTWORGPLZSJPQC-OTYXRUKQSA-N 1 0 282.315 1.280 20 10 CDCDRO Cc1cc(Cn2cc(CCCC[NH3+])nn2)ccc1N(C)C ZINC000881377196 841071747 /nfs/dbraw/zinc/07/17/47/841071747.db2.gz IDZOCNIIZHNWEG-UHFFFAOYSA-N 1 0 287.411 1.982 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000827812673 841108596 /nfs/dbraw/zinc/10/85/96/841108596.db2.gz UJMYYJILEJJGMW-CZMCAQCFSA-N 1 0 279.292 1.162 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000229641471 841135271 /nfs/dbraw/zinc/13/52/71/841135271.db2.gz QQGRQDWURMQZOK-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc1F ZINC000841760287 841143846 /nfs/dbraw/zinc/14/38/46/841143846.db2.gz JUPQZBWVQLMVHG-LLVKDONJSA-N 1 0 280.347 1.053 20 10 CDCDRO C[C@H]([NH2+]CCN1CCNC1=O)c1cc(Cl)ccc1O ZINC000886745524 841167559 /nfs/dbraw/zinc/16/75/59/841167559.db2.gz ZORDZAAUEOFULJ-VIFPVBQESA-N 1 0 283.759 1.721 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000879695149 841190097 /nfs/dbraw/zinc/19/00/97/841190097.db2.gz GYVDNVTYZNANHY-GASCZTMLSA-N 1 0 278.396 1.175 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000231293643 841229202 /nfs/dbraw/zinc/22/92/02/841229202.db2.gz WERUKKBQFKDGFR-CYBMUJFWSA-N 1 0 255.289 1.426 20 10 CDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809784951 841274645 /nfs/dbraw/zinc/27/46/45/841274645.db2.gz MPDQQQPFMCPKHL-QMMMGPOBSA-N 1 0 286.734 1.882 20 10 CDCDRO COc1cc(O)c(C[N@H+](C[C@H](C)O)C2CC2)cc1OC ZINC000848928452 841290304 /nfs/dbraw/zinc/29/03/04/841290304.db2.gz DPCBRHGKQAIGIH-JTQLQIEISA-N 1 0 281.352 1.755 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1ccc(OC)cc1O ZINC000794376591 841315348 /nfs/dbraw/zinc/31/53/48/841315348.db2.gz GKQQMFZZHKTCKF-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO COc1cccc(O)c1C[NH2+]Cc1cc(C)nn1C ZINC000790600371 841322193 /nfs/dbraw/zinc/32/21/93/841322193.db2.gz AQAGPGCGUYASTR-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccccc1O ZINC000812830832 841428260 /nfs/dbraw/zinc/42/82/60/841428260.db2.gz XVMSNZMPSTYNHL-ZDUSSCGKSA-N 1 0 264.369 1.765 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000866420003 841490077 /nfs/dbraw/zinc/49/00/77/841490077.db2.gz LQTDIGAFYZLPFZ-HQQWDMGQSA-N 1 0 277.364 1.681 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000249146475 841509858 /nfs/dbraw/zinc/50/98/58/841509858.db2.gz UPCIOPBHEKNMAY-YMTOWFKASA-N 1 0 281.327 1.937 20 10 CDCDRO OC1CCN(c2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000876540126 841727267 /nfs/dbraw/zinc/72/72/67/841727267.db2.gz GOWYWIUEFBOMSZ-UHFFFAOYSA-N 1 0 290.407 1.604 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+]CC2(C)C)c(O)c1 ZINC000843054269 841839890 /nfs/dbraw/zinc/83/98/90/841839890.db2.gz IGOJLRAGCARJSB-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CN(C)c1cc(F)c(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1F ZINC000862373892 841841676 /nfs/dbraw/zinc/84/16/76/841841676.db2.gz HOSFOYVGWCLUMU-GDNZZTSVSA-N 1 0 282.334 1.701 20 10 CDCDRO CC[NH+]1CCN([C@@H](C)CNC(=O)C2=CC(=O)CS2)CC1 ZINC000827500439 841850001 /nfs/dbraw/zinc/85/00/01/841850001.db2.gz AOOLSTXBORETAZ-NSHDSACASA-N 1 0 297.424 1.210 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H](C)N(C)C)c(O)c1 ZINC000824987845 841851422 /nfs/dbraw/zinc/85/14/22/841851422.db2.gz CGNPVEASILWXRV-NSHDSACASA-N 1 0 252.358 1.831 20 10 CDCDRO CN(C)c1ccc(CN2CCO[C@@H](CF)C2)cc1 ZINC000839623075 841858339 /nfs/dbraw/zinc/85/83/39/841858339.db2.gz XKTGTNMAKVLNHB-AWEZNQCLSA-N 1 0 252.333 1.923 20 10 CDCDRO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846860663 841932284 /nfs/dbraw/zinc/93/22/84/841932284.db2.gz LMNVHKKTKHGDBT-BBRMVZONSA-N 1 0 279.428 1.716 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)[C@H]1C ZINC000787421510 841985612 /nfs/dbraw/zinc/98/56/12/841985612.db2.gz STHJNGAUVINHGA-WDEREUQCSA-N 1 0 279.336 1.784 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310866889 842031176 /nfs/dbraw/zinc/03/11/76/842031176.db2.gz PXMMARKXAITJNC-CQSZACIVSA-N 1 0 250.317 1.717 20 10 CDCDRO CC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000075611482 842052798 /nfs/dbraw/zinc/05/27/98/842052798.db2.gz ZWABYLCERMQRMV-MRXNPFEDSA-N 1 0 278.396 1.726 20 10 CDCDRO C[S@](=O)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000116918979 842069722 /nfs/dbraw/zinc/06/97/22/842069722.db2.gz WDQQAIZFTJJUNU-MRXNPFEDSA-N 1 0 261.774 1.904 20 10 CDCDRO COC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000123145085 842270427 /nfs/dbraw/zinc/27/04/27/842270427.db2.gz YHBUCDJFZVRHNF-UHFFFAOYSA-N 1 0 277.364 1.907 20 10 CDCDRO CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC000876555415 842299377 /nfs/dbraw/zinc/29/93/77/842299377.db2.gz XTZXCNKBBFKLTF-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000134231920 842363590 /nfs/dbraw/zinc/36/35/90/842363590.db2.gz UNOQNVLLSXWOPM-ZDUSSCGKSA-N 1 0 251.326 1.269 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H](C)CO1 ZINC000844733777 842386840 /nfs/dbraw/zinc/38/68/40/842386840.db2.gz XSGFAEJORQVGHL-JVLSTEMRSA-N 1 0 293.363 1.817 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000702575092 842808369 /nfs/dbraw/zinc/80/83/69/842808369.db2.gz VWCYAEMCJLBLRY-NHYWBVRUSA-N 1 0 280.368 1.118 20 10 CDCDRO Cc1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)ccc1N(C)C ZINC000839648602 842809704 /nfs/dbraw/zinc/80/97/04/842809704.db2.gz CRICSSLPDIFHFC-HZPDHXFCSA-N 1 0 292.423 1.938 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000809751302 842826420 /nfs/dbraw/zinc/82/64/20/842826420.db2.gz QCUQRZACDIGMHU-NSHDSACASA-N 1 0 279.258 1.756 20 10 CDCDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841848151 842843979 /nfs/dbraw/zinc/84/39/79/842843979.db2.gz XPVCXSNLDRMZDI-CQSZACIVSA-N 1 0 277.412 1.952 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000846170043 842922389 /nfs/dbraw/zinc/92/23/89/842922389.db2.gz VDJXIBUASCTJOY-MNOVXSKESA-N 1 0 278.352 1.578 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000829763886 842980129 /nfs/dbraw/zinc/98/01/29/842980129.db2.gz CCMDMWMNUCIXKM-OAHLLOKOSA-N 1 0 275.396 1.805 20 10 CDCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173733864 912755857 /nfs/dbraw/zinc/75/58/57/912755857.db2.gz KJMDNUQTUBODOL-OLZOCXBDSA-N 1 0 273.340 1.652 20 10 CDCDRO C[N@H+](Cc1ccncc1)Cc1cc(O)c(O)cc1O ZINC001233482940 912818909 /nfs/dbraw/zinc/81/89/09/912818909.db2.gz ICNIKBRNNLYSNA-UHFFFAOYSA-N 1 0 260.293 1.830 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1O ZINC001140742202 898157465 /nfs/dbraw/zinc/15/74/65/898157465.db2.gz JVRWEGUXJBNKTO-ZWNOBZJWSA-N 1 0 265.353 1.999 20 10 CDCDRO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(O)c(O)c3)C[C@H]2CC1 ZINC001270037655 904295885 /nfs/dbraw/zinc/29/58/85/904295885.db2.gz NUWKYBZKMRJCKT-BETUJISGSA-N 1 0 290.363 1.512 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCO1 ZINC001168087889 906882833 /nfs/dbraw/zinc/88/28/33/906882833.db2.gz NVKLUGWPKGLFLX-GXSJLCMTSA-N 1 0 265.309 1.438 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCC[C@@H]1O ZINC001204277311 916571089 /nfs/dbraw/zinc/57/10/89/916571089.db2.gz YPURRBAJSGGWNH-MFKMUULPSA-N 1 0 251.326 1.691 20 10 CDCDRO [O-]c1cccc(F)c1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001137833162 936417576 /nfs/dbraw/zinc/41/75/76/936417576.db2.gz VPYAYUNYZCYROT-AAEUAGOBSA-N 1 0 257.280 1.826 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001182849560 918195824 /nfs/dbraw/zinc/19/58/24/918195824.db2.gz RVPRNKZHXARBNL-AWEZNQCLSA-N 1 0 274.364 1.760 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001138499910 936543196 /nfs/dbraw/zinc/54/31/96/936543196.db2.gz ORTSMJYKTKSSHL-QGZVFWFLSA-N 1 0 288.391 1.888 20 10 CDCDRO Oc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1O ZINC000715594839 919911379 /nfs/dbraw/zinc/91/13/79/919911379.db2.gz JPDQKAGTGUDZMN-UHFFFAOYSA-N 1 0 279.336 1.873 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC001140182199 936685071 /nfs/dbraw/zinc/68/50/71/936685071.db2.gz KDASRHUIGQFDLG-GFCCVEGCSA-N 1 0 283.393 1.628 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c1O ZINC001140746216 936749209 /nfs/dbraw/zinc/74/92/09/936749209.db2.gz WCMTWNSMEGWYPC-UHFFFAOYSA-N 1 0 278.352 1.494 20 10 CDCDRO CCOC(=O)C1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140745910 936749213 /nfs/dbraw/zinc/74/92/13/936749213.db2.gz PUERISNKPJQYKE-UHFFFAOYSA-N 1 0 265.309 1.401 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cccc(OC)c1O ZINC000689589088 936775923 /nfs/dbraw/zinc/77/59/23/936775923.db2.gz WXBYMEZQZAIUMS-UHFFFAOYSA-N 1 0 268.313 1.189 20 10 CDCDRO COc1cc(O)c(CN2CC(C)([NH+](C)C)C2)c(OC)c1 ZINC001141029335 936794924 /nfs/dbraw/zinc/79/49/24/936794924.db2.gz QBKOBSGCZSASJV-UHFFFAOYSA-N 1 0 280.368 1.545 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CO)C2)c(OC)c1 ZINC001141031317 936795081 /nfs/dbraw/zinc/79/50/81/936795081.db2.gz CTPWPYZFCQEKBY-LLVKDONJSA-N 1 0 281.352 1.614 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC001141026234 936793966 /nfs/dbraw/zinc/79/39/66/936793966.db2.gz ISGOUBFGZXDVOZ-SNVBAGLBSA-N 1 0 267.325 1.366 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140439 936819028 /nfs/dbraw/zinc/81/90/28/936819028.db2.gz MDNLLMJXWQKCHQ-YPMHNXCESA-N 1 0 262.353 1.470 20 10 CDCDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193633956 923821868 /nfs/dbraw/zinc/82/18/68/923821868.db2.gz MIWUEJGRRLTQTM-QMMMGPOBSA-N 1 0 284.743 1.433 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnnn1C ZINC000822273279 925613970 /nfs/dbraw/zinc/61/39/70/925613970.db2.gz DHMMRTUUUQUNGS-JTQLQIEISA-N 1 0 258.325 1.601 20 10 CDCDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000400752426 937260761 /nfs/dbraw/zinc/26/07/61/937260761.db2.gz DHFCBDDCRXEHCG-ZYHUDNBSSA-N 1 0 250.342 1.772 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)S(C)(=O)=O ZINC000697566535 937283477 /nfs/dbraw/zinc/28/34/77/937283477.db2.gz FQDQPNPGVPMAET-JTQLQIEISA-N 1 0 269.366 1.144 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccccc1O ZINC000697579825 937283988 /nfs/dbraw/zinc/28/39/88/937283988.db2.gz OIZLBUXYXLFFQB-ZYHUDNBSSA-N 1 0 271.382 1.866 20 10 CDCDRO CC(=O)Nc1cc2c(cc1N(C)C(C)(C)C[NH3+])OCO2 ZINC001170056397 929215256 /nfs/dbraw/zinc/21/52/56/929215256.db2.gz WLXBNOXQAOJQAU-UHFFFAOYSA-N 1 0 279.340 1.547 20 10 CDCDRO Cc1cccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1O ZINC000862466248 929418498 /nfs/dbraw/zinc/41/84/98/929418498.db2.gz XTEWYUNATUPMAF-AWEZNQCLSA-N 1 0 291.395 1.130 20 10 CDCDRO CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134871038 929945692 /nfs/dbraw/zinc/94/56/92/929945692.db2.gz CBONRJBZBZRFAA-MNOVXSKESA-N 1 0 295.383 1.605 20 10 CDCDRO COc1cc(C)cc(CN2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000799948855 937401755 /nfs/dbraw/zinc/40/17/55/937401755.db2.gz YLLQKQFQIXCGNC-LBPRGKRZSA-N 1 0 299.392 1.328 20 10 CDCDRO CCCOc1ccc(N(CC[NH3+])CC(=O)OCC)c(F)c1 ZINC001170996576 931211986 /nfs/dbraw/zinc/21/19/86/931211986.db2.gz UHTSXZGBBISNQK-UHFFFAOYSA-N 1 0 298.358 1.943 20 10 CDCDRO COC1(C)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500647 931860151 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Cc1ccc(O)c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000179904945 357229700 /nfs/dbraw/zinc/22/97/00/357229700.db2.gz WVRMIRHUXYFGML-UHFFFAOYSA-N 1 0 298.408 1.168 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000180200579 357251008 /nfs/dbraw/zinc/25/10/08/357251008.db2.gz JNUHXOMKWOMMFM-CYBMUJFWSA-N 1 0 294.370 1.685 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC000187532781 357775432 /nfs/dbraw/zinc/77/54/32/357775432.db2.gz JEFAJYVDISEWFI-OAHLLOKOSA-N 1 0 279.336 1.392 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000367669831 358194038 /nfs/dbraw/zinc/19/40/38/358194038.db2.gz LYOSETJOLMZAHB-LLVKDONJSA-N 1 0 278.352 1.501 20 10 CDCDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2O)C1 ZINC000193132084 358268780 /nfs/dbraw/zinc/26/87/80/358268780.db2.gz ZUHDWLQAFZBXIB-LBPRGKRZSA-N 1 0 292.379 1.806 20 10 CDCDRO C[S@](=O)C1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000280758797 363640778 /nfs/dbraw/zinc/64/07/78/363640778.db2.gz YLUADTGILPJDID-KRWDZBQOSA-N 1 0 253.367 1.783 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)CCO)c1 ZINC000224874922 359534352 /nfs/dbraw/zinc/53/43/52/359534352.db2.gz DYMCJFQDCKHKER-UHFFFAOYSA-N 1 0 253.342 1.899 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CCO)C(C)C)c1O ZINC000230690051 360343104 /nfs/dbraw/zinc/34/31/04/360343104.db2.gz SAHGYRNIJDIZKL-LBPRGKRZSA-N 1 0 253.342 1.897 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2)c(O)c1 ZINC000530228164 361498463 /nfs/dbraw/zinc/49/84/63/361498463.db2.gz YCUHKWLPBQQEPF-RYUDHWBXSA-N 1 0 250.342 1.340 20 10 CDCDRO CCC[N@H+](CCO)Cc1cc(OCC)ccc1O ZINC000271053253 364895712 /nfs/dbraw/zinc/89/57/12/364895712.db2.gz XSOFYBNRFTVXAJ-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO CNS(=O)(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000271173038 364959102 /nfs/dbraw/zinc/95/91/02/364959102.db2.gz JMMRSEQYXCNIHL-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)Cn1cccn1 ZINC000171926514 365432137 /nfs/dbraw/zinc/43/21/37/365432137.db2.gz WVAIEUUOOVJRIC-ZDUSSCGKSA-N 1 0 261.325 1.082 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCO)c(C(F)(F)F)c1 ZINC000280435999 367391842 /nfs/dbraw/zinc/39/18/42/367391842.db2.gz XUEONXZMFKINHF-UHFFFAOYSA-N 1 0 262.275 1.853 20 10 CDCDRO O=C1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2(CCC2)N1 ZINC000282576202 367946978 /nfs/dbraw/zinc/94/69/78/367946978.db2.gz BBGOHRCBQLZHFI-OAHLLOKOSA-N 1 0 286.375 1.912 20 10 CDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000295170151 371139699 /nfs/dbraw/zinc/13/96/99/371139699.db2.gz LISMIINEWHAROO-LBPRGKRZSA-N 1 0 287.407 1.826 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296243938 371419819 /nfs/dbraw/zinc/41/98/19/371419819.db2.gz AXIHOWWINNCHOU-JQWIXIFHSA-N 1 0 262.353 1.836 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)C(C)(C)C(N)=O)c1O ZINC000295808103 371465872 /nfs/dbraw/zinc/46/58/72/371465872.db2.gz WQMQECAFSYFIJW-UHFFFAOYSA-N 1 0 282.315 1.430 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000123942284 374741976 /nfs/dbraw/zinc/74/19/76/374741976.db2.gz KHNWNQOTSRPHTD-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](O)CC1)OCO2 ZINC000293889853 378599008 /nfs/dbraw/zinc/59/90/08/378599008.db2.gz DSBFUHCGZFCPEG-LLVKDONJSA-N 1 0 265.309 1.468 20 10 CDCDRO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)Cc1ccccc1O ZINC000109773070 390648542 /nfs/dbraw/zinc/64/85/42/390648542.db2.gz HUEKRBXAMFCSLX-JTQLQIEISA-N 1 0 291.351 1.201 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCN2CCOCC2)c1 ZINC000092974930 390899016 /nfs/dbraw/zinc/89/90/16/390899016.db2.gz TWOMKDMCGFENNF-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO CC[C@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1 ZINC000093049507 390899526 /nfs/dbraw/zinc/89/95/26/390899526.db2.gz QBJLVQQRSYJWRN-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cccc(OC)c1O ZINC000133295299 390902801 /nfs/dbraw/zinc/90/28/01/390902801.db2.gz BDCJOSWTQUKHIA-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000176755539 391157651 /nfs/dbraw/zinc/15/76/51/391157651.db2.gz RQRWDODAXHNALH-AWEZNQCLSA-N 1 0 283.393 1.749 20 10 CDCDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000120432632 391328483 /nfs/dbraw/zinc/32/84/83/391328483.db2.gz UDOKYSWNIAUGOY-CJNGLKHVSA-N 1 0 276.380 1.790 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000193696440 391344267 /nfs/dbraw/zinc/34/42/67/391344267.db2.gz ZUIVLWCACXULQK-YGRLFVJLSA-N 1 0 260.337 1.236 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000372691658 391861996 /nfs/dbraw/zinc/86/19/96/391861996.db2.gz RNYQENHVLCHKTR-OAHLLOKOSA-N 1 0 276.336 1.775 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC[N@@H+](C)CC2)c1O ZINC000037322862 260087833 /nfs/dbraw/zinc/08/78/33/260087833.db2.gz HXIFOKISHRRYSI-UHFFFAOYSA-N 1 0 280.343 1.871 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156341160 261120857 /nfs/dbraw/zinc/12/08/57/261120857.db2.gz GSSMOPGYFFLNGY-OAHLLOKOSA-N 1 0 288.391 1.981 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000368883235 267210708 /nfs/dbraw/zinc/21/07/08/267210708.db2.gz XZIBNAZWPCTVMK-QWRGUYRKSA-N 1 0 255.289 1.306 20 10 CDCDRO Cc1cc(C(=O)N2CC([NH+](C)C)C2)c(C)n1-c1ccccn1 ZINC000158502174 327630128 /nfs/dbraw/zinc/63/01/28/327630128.db2.gz AEDGKJFCMIIYAG-UHFFFAOYSA-N 1 0 298.390 1.875 20 10 CDCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000185819771 327846403 /nfs/dbraw/zinc/84/64/03/327846403.db2.gz XJVALCGRQLZDPR-VUDBWIFFSA-N 1 0 265.309 1.538 20 10 CDCDRO COCCOCCC[NH2+]Cc1cc(F)ccc1O ZINC000226583422 329261574 /nfs/dbraw/zinc/26/15/74/329261574.db2.gz WSXYODDCPLUUTN-UHFFFAOYSA-N 1 0 257.305 1.674 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934713 333322691 /nfs/dbraw/zinc/32/26/91/333322691.db2.gz CSPQUDABBSVZDC-NSHDSACASA-N 1 0 289.759 1.541 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2)c2c1c(F)ccc2O ZINC000530222006 333528845 /nfs/dbraw/zinc/52/88/45/333528845.db2.gz FLKUPMQSUGYZLY-JFGNBEQYSA-N 1 0 280.343 1.658 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)c1O ZINC000079473604 518286561 /nfs/dbraw/zinc/28/65/61/518286561.db2.gz CZYGRJXTFLCPPB-CYBMUJFWSA-N 1 0 296.342 1.724 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC)cc1 ZINC000291905911 520288383 /nfs/dbraw/zinc/28/83/83/520288383.db2.gz MEDRMNDPBLLFCC-NEPJUHHUSA-N 1 0 263.385 1.928 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C[NH3+])OC)cc1 ZINC000278240380 520897324 /nfs/dbraw/zinc/89/73/24/520897324.db2.gz LHRZADIGONABTK-OAHLLOKOSA-N 1 0 293.411 1.513 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000280370598 521149180 /nfs/dbraw/zinc/14/91/80/521149180.db2.gz VEZYMZMYGVTRNV-HNNXBMFYSA-N 1 0 278.352 1.488 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCN(CCOC)C2)c1O ZINC000264647394 521376521 /nfs/dbraw/zinc/37/65/21/521376521.db2.gz WMLUWIMLXSDQHD-AWEZNQCLSA-N 1 0 294.395 1.601 20 10 CDCDRO CC[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000280047718 521577929 /nfs/dbraw/zinc/57/79/29/521577929.db2.gz KHWBJTCRIKKMEV-UHFFFAOYSA-N 1 0 264.325 1.312 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000275897315 522205296 /nfs/dbraw/zinc/20/52/96/522205296.db2.gz MOYFLTWNRKGTQG-NSHDSACASA-N 1 0 286.397 1.209 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](CO)COC)c1ccc(C)cc1O ZINC000281230431 522919934 /nfs/dbraw/zinc/91/99/34/522919934.db2.gz URNAZVVVFJGFGT-WCQYABFASA-N 1 0 253.342 1.749 20 10 CDCDRO CC[C@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]C1 ZINC000370842030 523538407 /nfs/dbraw/zinc/53/84/07/523538407.db2.gz CKEWWXIEHYBWGE-INIZCTEOSA-N 1 0 293.386 1.898 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000298384893 524075695 /nfs/dbraw/zinc/07/56/95/524075695.db2.gz DRXFAPHETLFYMX-ZDUSSCGKSA-N 1 0 275.396 1.901 20 10 CDCDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000127279276 524152813 /nfs/dbraw/zinc/15/28/13/524152813.db2.gz GJXZLJMZOGWLGA-ZDUSSCGKSA-N 1 0 284.363 1.581 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1O ZINC000263686824 524158053 /nfs/dbraw/zinc/15/80/53/524158053.db2.gz FVBSUFFARIHPLV-LLVKDONJSA-N 1 0 265.357 1.532 20 10 CDCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c(F)ccc(O)c1O ZINC000276499061 524604629 /nfs/dbraw/zinc/60/46/29/524604629.db2.gz BVZMQDBJONVOEY-JTQLQIEISA-N 1 0 296.342 1.841 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617173 524629276 /nfs/dbraw/zinc/62/92/76/524629276.db2.gz WNLOJQUVGCCFKQ-RYUDHWBXSA-N 1 0 282.359 1.903 20 10 CDCDRO Cc1cc(C[NH2+]C2(CO)CCOCC2)ccc1N(C)C ZINC000293034295 524750851 /nfs/dbraw/zinc/75/08/51/524750851.db2.gz JGJUGZKZXAPYIF-UHFFFAOYSA-N 1 0 278.396 1.692 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCc2nnc(C)s2)c1 ZINC000291005415 524752521 /nfs/dbraw/zinc/75/25/21/524752521.db2.gz BHYFCLWWNGQSLT-UHFFFAOYSA-N 1 0 279.365 1.893 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800648 525348625 /nfs/dbraw/zinc/34/86/25/525348625.db2.gz SKOHVERWFZRSOO-AWEZNQCLSA-N 1 0 263.385 1.036 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000290097444 526019860 /nfs/dbraw/zinc/01/98/60/526019860.db2.gz JZKKJGHAPHOUBB-NSHDSACASA-N 1 0 299.392 1.315 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000729282132 574744749 /nfs/dbraw/zinc/74/47/49/574744749.db2.gz KXYSDTSKIGGGLU-CYBMUJFWSA-N 1 0 261.369 1.321 20 10 CDCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1=CC(=O)CS1 ZINC000732273087 575085552 /nfs/dbraw/zinc/08/55/52/575085552.db2.gz VSZVHHUMSUNDAV-ZJUUUORDSA-N 1 0 266.366 1.810 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000773889587 575843216 /nfs/dbraw/zinc/84/32/16/575843216.db2.gz YCJQCIYCVUTSJR-ZBFHGGJFSA-N 1 0 260.381 1.957 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(C)ccc2O)CCOC1 ZINC000766470207 576105019 /nfs/dbraw/zinc/10/50/19/576105019.db2.gz PSVBCNNPTOAPFL-HNNXBMFYSA-N 1 0 279.336 1.512 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)cc1 ZINC000762790199 576672854 /nfs/dbraw/zinc/67/28/54/576672854.db2.gz YJJWXLFGLTYPOQ-PBHICJAKSA-N 1 0 291.439 1.860 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2C3CCC2CC3)cc1 ZINC000748816937 576927129 /nfs/dbraw/zinc/92/71/29/576927129.db2.gz WWUYYZXXSVKANY-UHFFFAOYSA-N 1 0 287.407 1.996 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCOC2)c2c1c(F)ccc2O ZINC000756769828 577003590 /nfs/dbraw/zinc/00/35/90/577003590.db2.gz NYYBHNQAKHRFCO-XDMRBOTDSA-N 1 0 281.327 1.821 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1O ZINC000892076693 617464898 /nfs/dbraw/zinc/46/48/98/617464898.db2.gz CKRLPSBNGQPUHL-MDZLAQPJSA-N 1 0 277.368 1.750 20 10 CDCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892515837 617468746 /nfs/dbraw/zinc/46/87/46/617468746.db2.gz ZOHCVBJYFOJRPO-CQSZACIVSA-N 1 0 269.341 1.660 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCOC2)c(O)c1OC ZINC000892650611 617561847 /nfs/dbraw/zinc/56/18/47/617561847.db2.gz ZPIJPWLAOBOTMA-LLVKDONJSA-N 1 0 281.352 1.926 20 10 CDCDRO C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000891812325 617602868 /nfs/dbraw/zinc/60/28/68/617602868.db2.gz AFSZIWVVWJVFQJ-MBNYWOFBSA-N 1 0 290.411 1.945 20 10 CDCDRO C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000891812322 617602928 /nfs/dbraw/zinc/60/29/28/617602928.db2.gz AFSZIWVVWJVFQJ-DYEKYZERSA-N 1 0 290.411 1.945 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000220330960 617709708 /nfs/dbraw/zinc/70/97/08/617709708.db2.gz JPVANDYIRPXECW-ZANVPECISA-N 1 0 254.305 1.079 20 10 CDCDRO COc1ccc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(O)c1OC ZINC000893669268 617819059 /nfs/dbraw/zinc/81/90/59/617819059.db2.gz LSPGNJZXLQRISI-NEPJUHHUSA-N 1 0 294.395 1.934 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1O ZINC000891972172 617908104 /nfs/dbraw/zinc/90/81/04/617908104.db2.gz XOTVHJRCBHWDSC-NEPJUHHUSA-N 1 0 277.368 1.895 20 10 CDCDRO Oc1cc2c(cc1CN1CC[C@@]3(CCC[NH2+]3)C1)OCO2 ZINC000841106401 618627783 /nfs/dbraw/zinc/62/77/83/618627783.db2.gz LTIJAKLSWAOLFU-HNNXBMFYSA-N 1 0 276.336 1.449 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cscn2)cc1 ZINC000841042412 618677956 /nfs/dbraw/zinc/67/79/56/618677956.db2.gz JKPIIKTUVRKCLG-CQSZACIVSA-N 1 0 276.409 1.999 20 10 CDCDRO CCOCc1cc(CN[C@@H]2CC[NH2+]C2)ccc1OC ZINC000841045553 618678814 /nfs/dbraw/zinc/67/88/14/618678814.db2.gz XZLSPARTLFFLHU-CQSZACIVSA-N 1 0 264.369 1.683 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CNCCO2)c1O ZINC000841099710 618682243 /nfs/dbraw/zinc/68/22/43/618682243.db2.gz WERVYSUPOZFITJ-NSHDSACASA-N 1 0 286.759 1.132 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](C)CCCO)c(O)c1OC ZINC000894681769 619014528 /nfs/dbraw/zinc/01/45/28/619014528.db2.gz JXHFBQJFWYIQKF-NSHDSACASA-N 1 0 283.368 1.908 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895328492 619567455 /nfs/dbraw/zinc/56/74/55/619567455.db2.gz GPVVOMXBSPBBLH-GXTWGEPZSA-N 1 0 251.326 1.018 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(Cc3nc[nH]n3)CC2)c(O)c1 ZINC000895493630 619694084 /nfs/dbraw/zinc/69/40/84/619694084.db2.gz NOOWDIYPSCZEBD-UHFFFAOYSA-N 1 0 287.367 1.137 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC000895574911 619732933 /nfs/dbraw/zinc/73/29/33/619732933.db2.gz AKPOCHVLCWJHRJ-GASCZTMLSA-N 1 0 274.364 1.611 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000896960611 620321807 /nfs/dbraw/zinc/32/18/07/620321807.db2.gz NKRCIRCJTQOENL-JTQLQIEISA-N 1 0 267.300 1.916 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(Cl)cc1O ZINC000841751524 620925409 /nfs/dbraw/zinc/92/54/09/620925409.db2.gz NLOVPJVGZBKWMD-ZANVPECISA-N 1 0 271.744 1.848 20 10 CDCDRO CC(C)[C@H]([NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841031148 621023683 /nfs/dbraw/zinc/02/36/83/621023683.db2.gz XCWWYAXCTMPKBQ-OAHLLOKOSA-N 1 0 295.402 1.735 20 10 CDCDRO COCC[NH2+]CCNCc1ccc(N(C)C)cc1C ZINC000841048116 621593029 /nfs/dbraw/zinc/59/30/29/621593029.db2.gz LPQKYWFDJGEQFI-UHFFFAOYSA-N 1 0 265.401 1.387 20 10 CDCDRO C[C@@H]([NH2+]Cc1cn(-c2ccn(C)n2)nn1)c1ccccc1O ZINC000906323322 627191842 /nfs/dbraw/zinc/19/18/42/627191842.db2.gz RFQMFORVWZFZIJ-LLVKDONJSA-N 1 0 298.350 1.557 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000157780715 630611684 /nfs/dbraw/zinc/61/16/84/630611684.db2.gz AIRBVYRSFBGIEZ-LBPRGKRZSA-N 1 0 263.385 1.755 20 10 CDCDRO OC[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000153115003 631463747 /nfs/dbraw/zinc/46/37/47/631463747.db2.gz QEMQYTSBAUDZHE-KLPPZKSPSA-N 1 0 279.336 1.762 20 10 CDCDRO COCCNCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000817964827 633057999 /nfs/dbraw/zinc/05/79/99/633057999.db2.gz KLPJZISKBZDWCP-LBPRGKRZSA-N 1 0 252.358 1.587 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccccc1O ZINC000879649997 1166392634 /nfs/dbraw/zinc/39/26/34/1166392634.db2.gz XAPQCKJWJDRCGA-LLVKDONJSA-N 1 0 258.321 1.942 20 10 CDCDRO NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001580085179 1172346795 /nfs/dbraw/zinc/34/67/95/1172346795.db2.gz VDIXEFGNVREFDW-ZDUSSCGKSA-N 1 0 265.332 1.304 20 10 CDCDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1cccc(Cl)c1O ZINC001580505665 1172457045 /nfs/dbraw/zinc/45/70/45/1172457045.db2.gz IXKGKOHBTLARQY-JTQLQIEISA-N 1 0 268.744 1.804 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000083449304 844012186 /nfs/dbraw/zinc/01/21/86/844012186.db2.gz BBBYPTKXFFDNQT-CQSZACIVSA-N 1 0 261.369 1.496 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCNC(=O)C2CC2)cc1F ZINC000858088060 844071310 /nfs/dbraw/zinc/07/13/10/844071310.db2.gz ZMZYCTFSQPDOQI-UHFFFAOYSA-N 1 0 297.349 1.647 20 10 CDCDRO O=C1C[C@@H]([NH2+]CCCSc2nccs2)CCCN1 ZINC000877061507 844133214 /nfs/dbraw/zinc/13/32/14/844133214.db2.gz JNBVSNYYUHARNG-JTQLQIEISA-N 1 0 285.438 1.884 20 10 CDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000831117411 844286897 /nfs/dbraw/zinc/28/68/97/844286897.db2.gz VXRQKRQREJXROY-WDEREUQCSA-N 1 0 296.390 1.817 20 10 CDCDRO CN1CCCc2cc(CNC(=O)CC[NH2+]C3CC3)ccc21 ZINC000848412293 844303299 /nfs/dbraw/zinc/30/32/99/844303299.db2.gz MUZXYMAUXMSIGF-UHFFFAOYSA-N 1 0 287.407 1.827 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000775748391 844325950 /nfs/dbraw/zinc/32/59/50/844325950.db2.gz XZWHXOWRUOAIKC-TXEJJXNPSA-N 1 0 278.352 1.061 20 10 CDCDRO C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1[NH3+] ZINC000300334666 844382678 /nfs/dbraw/zinc/38/26/78/844382678.db2.gz ANTFECHVKDRKQP-LDYMZIIASA-N 1 0 285.185 1.934 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922938925 844434534 /nfs/dbraw/zinc/43/45/34/844434534.db2.gz XTONZFVSTUSLRV-SNVBAGLBSA-N 1 0 271.744 1.941 20 10 CDCDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879462526 844524851 /nfs/dbraw/zinc/52/48/51/844524851.db2.gz QMNXHEQXWZKEIH-CYBMUJFWSA-N 1 0 294.395 1.597 20 10 CDCDRO OCc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000227463258 844527531 /nfs/dbraw/zinc/52/75/31/844527531.db2.gz YBSPBQZBWDTURV-UHFFFAOYSA-N 1 0 287.315 1.903 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)N(C)Cc1ccccc1O ZINC000063467596 844533182 /nfs/dbraw/zinc/53/31/82/844533182.db2.gz CVQAGBYMUOZTRT-UHFFFAOYSA-N 1 0 250.342 1.691 20 10 CDCDRO [O-]c1c(Br)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000841027202 844601835 /nfs/dbraw/zinc/60/18/35/844601835.db2.gz ZQEVLIDGYNQPHF-UHFFFAOYSA-N 1 0 285.185 1.996 20 10 CDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CNCCO2)c1O ZINC000817983008 844632191 /nfs/dbraw/zinc/63/21/91/844632191.db2.gz JKZUBDMPVPUDCP-ZYHUDNBSSA-N 1 0 284.787 1.993 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NC ZINC000922170798 843081232 /nfs/dbraw/zinc/08/12/32/843081232.db2.gz MLYFVEDFMSNKIZ-CYBMUJFWSA-N 1 0 262.353 1.626 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CCO)C2CCN(C)CC2)cc1 ZINC000155505424 843262049 /nfs/dbraw/zinc/26/20/49/843262049.db2.gz SDRLPQGGOJFBHE-UHFFFAOYSA-N 1 0 291.439 1.641 20 10 CDCDRO CCOc1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c(O)c1 ZINC000843063462 843429165 /nfs/dbraw/zinc/42/91/65/843429165.db2.gz BHWODTOCIKNQGE-TXEJJXNPSA-N 1 0 264.369 1.973 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NC ZINC000922170799 843431159 /nfs/dbraw/zinc/43/11/59/843431159.db2.gz MLYFVEDFMSNKIZ-ZDUSSCGKSA-N 1 0 262.353 1.626 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000706753861 843431433 /nfs/dbraw/zinc/43/14/33/843431433.db2.gz KCPUYNFJTBXICQ-CHWSQXEVSA-N 1 0 251.326 1.194 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818967699 843592261 /nfs/dbraw/zinc/59/22/61/843592261.db2.gz ZJLHGSWBBCEJJV-YNEHKIRRSA-N 1 0 296.386 1.910 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000857083949 843648563 /nfs/dbraw/zinc/64/85/63/843648563.db2.gz CAZCBRIBXGJPCG-DGCLKSJQSA-N 1 0 262.353 1.972 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000130003341 843812538 /nfs/dbraw/zinc/81/25/38/843812538.db2.gz VAZHZPUBIPSCPS-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO CC1(CO)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877581917 843856515 /nfs/dbraw/zinc/85/65/15/843856515.db2.gz YWTUEFMVRYZELY-UHFFFAOYSA-N 1 0 290.407 1.462 20 10 CDCDRO CN1CCCc2cc(CNC(=O)N3CC[C@@H]([NH3+])C3)ccc21 ZINC000841758682 843856924 /nfs/dbraw/zinc/85/69/24/843856924.db2.gz IZQCZPCSSJZXLI-CQSZACIVSA-N 1 0 288.395 1.312 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827726154 843870758 /nfs/dbraw/zinc/87/07/58/843870758.db2.gz SLWJIRBLFBEJQH-CHWSQXEVSA-N 1 0 291.395 1.438 20 10 CDCDRO O=C1NC(=S)S/C1=C\c1cccc2nccn21 ZINC000178941100 843993065 /nfs/dbraw/zinc/99/30/65/843993065.db2.gz PZDQVYHQKRPADC-VURMDHGXSA-N 1 0 261.331 1.823 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1F ZINC000130585225 844657628 /nfs/dbraw/zinc/65/76/28/844657628.db2.gz DEKAHJHWKCNCFF-LBPRGKRZSA-N 1 0 279.359 1.508 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@H](CO)C2)c1 ZINC000191520826 844659753 /nfs/dbraw/zinc/65/97/53/844659753.db2.gz UOFFQJCDZAOOTM-YPMHNXCESA-N 1 0 251.326 1.282 20 10 CDCDRO CCN(CC[NH3+])Cc1cc(Br)ccc1O ZINC000300762917 844685723 /nfs/dbraw/zinc/68/57/23/844685723.db2.gz NLSJLVDCZVCTQP-UHFFFAOYSA-N 1 0 273.174 1.935 20 10 CDCDRO COc1ccc(N(C)CCOCC[NH3+])c(OC)c1 ZINC000843388708 844722499 /nfs/dbraw/zinc/72/24/99/844722499.db2.gz CUPDMFLILKTDCS-UHFFFAOYSA-N 1 0 254.330 1.115 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000382576598 844750839 /nfs/dbraw/zinc/75/08/39/844750839.db2.gz UGCSOLDHPIGHFM-BXUZGUMPSA-N 1 0 253.342 1.749 20 10 CDCDRO Oc1cc2c(cc1CN1CC[NH+](CC3CC3)CC1)OCO2 ZINC000054551138 844845425 /nfs/dbraw/zinc/84/54/25/844845425.db2.gz HKGITTFWVPYOPW-UHFFFAOYSA-N 1 0 290.363 1.649 20 10 CDCDRO C[C@H]([NH3+])C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000178812600 844897314 /nfs/dbraw/zinc/89/73/14/844897314.db2.gz WUDWGQIOZVUCSL-NSHDSACASA-N 1 0 261.369 1.397 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(F)ccc1O ZINC000710892953 844937823 /nfs/dbraw/zinc/93/78/23/844937823.db2.gz YBMDSRVYANIGPN-RLCGTCKNSA-N 1 0 255.289 1.332 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCSCC1 ZINC000877149579 844960406 /nfs/dbraw/zinc/96/04/06/844960406.db2.gz CZORXHLDQUBMKE-UHFFFAOYSA-N 1 0 266.410 1.839 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COCCN2)cc1F ZINC000863485585 844998730 /nfs/dbraw/zinc/99/87/30/844998730.db2.gz MOYGHONHQXOOKV-AWEZNQCLSA-N 1 0 295.402 1.750 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000829528078 845035416 /nfs/dbraw/zinc/03/54/16/845035416.db2.gz KAOHPPWJYGOKNK-ZWNOBZJWSA-N 1 0 297.449 1.741 20 10 CDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000817676301 845078648 /nfs/dbraw/zinc/07/86/48/845078648.db2.gz CXTAXASIWIERBJ-CFNZNRNTSA-N 1 0 290.363 1.664 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]([NH3+])CC2CC2)c(O)c1 ZINC000083477974 845109397 /nfs/dbraw/zinc/10/93/97/845109397.db2.gz YWZYSLIZWLBJSI-GFCCVEGCSA-N 1 0 264.325 1.144 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[NH2+][C@H](C)C2)c1O ZINC000228562417 845363745 /nfs/dbraw/zinc/36/37/45/845363745.db2.gz XXXTWVRODZDTDM-SECBINFHSA-N 1 0 270.760 1.848 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)C2CC[NH+](C)CC2)c1 ZINC000862758504 845368571 /nfs/dbraw/zinc/36/85/71/845368571.db2.gz ALPTXVNDUKEYSX-UHFFFAOYSA-N 1 0 262.353 1.659 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]([NH3+])C1CC1 ZINC000844191447 845423151 /nfs/dbraw/zinc/42/31/51/845423151.db2.gz WBLBQDMIUXIOAY-CYBMUJFWSA-N 1 0 289.379 1.605 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1 ZINC000815108532 845446885 /nfs/dbraw/zinc/44/68/85/845446885.db2.gz YXZQBGLJRWGSMQ-WFASDCNBSA-N 1 0 275.396 1.757 20 10 CDCDRO C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)[NH2+]1 ZINC000843049126 845468792 /nfs/dbraw/zinc/46/87/92/845468792.db2.gz FXWGMYMTJWSIJZ-NXEZZACHSA-N 1 0 264.325 1.303 20 10 CDCDRO Cc1cc(Cn2cc([C@H](C)[NH3+])nn2)ccc1N(C)C ZINC000881377480 845503864 /nfs/dbraw/zinc/50/38/64/845503864.db2.gz OGZKPDLYKLOBPB-NSHDSACASA-N 1 0 259.357 1.721 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1c([O-])cccc1F ZINC000886487745 845506358 /nfs/dbraw/zinc/50/63/58/845506358.db2.gz SMORFNWEFZTGML-GFCCVEGCSA-N 1 0 282.359 1.904 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCNC2=O)c(O)c1 ZINC000886745040 845511035 /nfs/dbraw/zinc/51/10/35/845511035.db2.gz MNFLKUJVWKBMIE-GFCCVEGCSA-N 1 0 277.368 1.685 20 10 CDCDRO CCc1cccc(C[NH+]2CCN(CCCCO)CC2)c1O ZINC000848885287 845591075 /nfs/dbraw/zinc/59/10/75/845591075.db2.gz SFBVEVUJMXYQJL-UHFFFAOYSA-N 1 0 292.423 1.845 20 10 CDCDRO Nc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000818556240 845603100 /nfs/dbraw/zinc/60/31/00/845603100.db2.gz DJJBESXWLJSHCY-JTQLQIEISA-N 1 0 255.268 1.452 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000848897609 845616206 /nfs/dbraw/zinc/61/62/06/845616206.db2.gz KBQPENUTVUCGCQ-CQSZACIVSA-N 1 0 275.352 1.511 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841968080 845633508 /nfs/dbraw/zinc/63/35/08/845633508.db2.gz SYWMUKDYSQQGLG-LLVKDONJSA-N 1 0 291.395 1.808 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(CCNC3=O)CC2)c1O ZINC000877783113 845696534 /nfs/dbraw/zinc/69/65/34/845696534.db2.gz DPOMQDJZKGSYNX-UHFFFAOYSA-N 1 0 290.363 1.503 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NC2CC2)c1 ZINC000135727235 845715160 /nfs/dbraw/zinc/71/51/60/845715160.db2.gz LLBYJTYLUMPRMZ-VHSXEESVSA-N 1 0 278.352 1.719 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000778193312 845715243 /nfs/dbraw/zinc/71/52/43/845715243.db2.gz ZKLDBUBTNUZFQI-QWHCGFSZSA-N 1 0 251.326 1.650 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779520494 845718089 /nfs/dbraw/zinc/71/80/89/845718089.db2.gz IEXUAJBHOSIPQS-ZVTBTPLYSA-N 1 0 292.379 1.958 20 10 CDCDRO Cn1cc(/C=C/C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cn1 ZINC000818019419 845742013 /nfs/dbraw/zinc/74/20/13/845742013.db2.gz DVWSNLOBTYBUMF-PSKZRQQASA-N 1 0 282.347 1.350 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000086683749 845747897 /nfs/dbraw/zinc/74/78/97/845747897.db2.gz PVSCAIIAVFMLAU-LLVKDONJSA-N 1 0 267.325 1.882 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000383348787 845784276 /nfs/dbraw/zinc/78/42/76/845784276.db2.gz ZERXDMAXRRRJDQ-AWEZNQCLSA-N 1 0 275.396 1.901 20 10 CDCDRO COc1cccc(C[NH2+]Cc2ccc(C(N)=O)cc2)c1O ZINC000237218846 845794293 /nfs/dbraw/zinc/79/42/93/845794293.db2.gz XHIBCXMTBDCDQR-UHFFFAOYSA-N 1 0 286.331 1.790 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[C@H](C)[NH3+])cc1 ZINC000846695741 845894917 /nfs/dbraw/zinc/89/49/17/845894917.db2.gz AEDBDZFAALQCJN-OLZOCXBDSA-N 1 0 293.411 1.573 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000862757757 845936584 /nfs/dbraw/zinc/93/65/84/845936584.db2.gz DESYXQKJIXEMDD-AWEZNQCLSA-N 1 0 264.369 1.903 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000848914385 845986717 /nfs/dbraw/zinc/98/67/17/845986717.db2.gz IYWGXMZPHIEMSE-WCQYABFASA-N 1 0 262.353 1.698 20 10 CDCDRO COc1ccc(O)c([C@H](C)NCc2ncn(C)n2)c1 ZINC000230670185 846009562 /nfs/dbraw/zinc/00/95/62/846009562.db2.gz JOEYRDLDLRGEEY-VIFPVBQESA-N 1 0 262.313 1.380 20 10 CDCDRO CN1CCCc2cc(C[NH2+][C@H]3CCNC(=O)CC3)ccc21 ZINC000396716563 846041638 /nfs/dbraw/zinc/04/16/38/846041638.db2.gz RMRIBNACHUQEQI-OAHLLOKOSA-N 1 0 287.407 1.827 20 10 CDCDRO O=C1C[C@H]([NH2+]CCCSc2nccs2)CCCN1 ZINC000877061508 846048006 /nfs/dbraw/zinc/04/80/06/846048006.db2.gz JNBVSNYYUHARNG-SNVBAGLBSA-N 1 0 285.438 1.884 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000126937204 846099640 /nfs/dbraw/zinc/09/96/40/846099640.db2.gz XVUMUYFSUBPZGZ-GFCCVEGCSA-N 1 0 269.366 1.367 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061528 846119627 /nfs/dbraw/zinc/11/96/27/846119627.db2.gz QPMHUMHAYSEAON-LBPRGKRZSA-N 1 0 289.339 1.673 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NCCF)c(O)c1 ZINC000877500448 846121306 /nfs/dbraw/zinc/12/13/06/846121306.db2.gz UTTBFERHOZNUNN-SNVBAGLBSA-N 1 0 254.305 1.264 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000169104892 846201369 /nfs/dbraw/zinc/20/13/69/846201369.db2.gz WKTIPWXMWZVFHI-HNNXBMFYSA-N 1 0 279.359 1.379 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H](COC)OC)c(O)c1 ZINC000781416945 846324849 /nfs/dbraw/zinc/32/48/49/846324849.db2.gz UJXAIXNIYOHNSX-ZDUSSCGKSA-N 1 0 269.341 1.542 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCN(C=O)CC2)cc1OC ZINC000827872557 846702623 /nfs/dbraw/zinc/70/26/23/846702623.db2.gz YKJVCQUFAHTYMH-UHFFFAOYSA-N 1 0 294.351 1.074 20 10 CDCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc(C)c1O ZINC000824708450 846933249 /nfs/dbraw/zinc/93/32/49/846933249.db2.gz GSPDRWWUVLIHAR-OCCSQVGLSA-N 1 0 265.353 1.842 20 10 CDCDRO [NH3+]CCCC(=O)NCCCSc1nccs1 ZINC000237915559 846980702 /nfs/dbraw/zinc/98/07/02/846980702.db2.gz SPPIJELBASYYRQ-UHFFFAOYSA-N 1 0 259.400 1.480 20 10 CDCDRO CC[NH2+]CCN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817953294 847054025 /nfs/dbraw/zinc/05/40/25/847054025.db2.gz ZGAXBJJWNUGHCI-JTQLQIEISA-N 1 0 266.341 1.439 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000322670498 847167862 /nfs/dbraw/zinc/16/78/62/847167862.db2.gz FRFMXVWCRQPXLR-GHMZBOCLSA-N 1 0 250.342 1.876 20 10 CDCDRO OC[C@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000877780393 847196531 /nfs/dbraw/zinc/19/65/31/847196531.db2.gz PAAOTWPSYNYRBD-JTQLQIEISA-N 1 0 283.349 1.031 20 10 CDCDRO Cc1cc(Br)cc(CN2CC[C@H]([NH3+])C2)c1O ZINC000843047531 847220075 /nfs/dbraw/zinc/22/00/75/847220075.db2.gz VEQVYXYJJUITQL-NSHDSACASA-N 1 0 285.185 1.996 20 10 CDCDRO CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662801 847315632 /nfs/dbraw/zinc/31/56/32/847315632.db2.gz MISYOOCXRIDEMT-UHFFFAOYSA-N 1 0 276.384 1.258 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)c(O)c1 ZINC000036793765 847324703 /nfs/dbraw/zinc/32/47/03/847324703.db2.gz DWEHATMDEKGMDI-WDEREUQCSA-N 1 0 250.342 1.828 20 10 CDCDRO COc1ccc(O)c(CN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000841085427 847456268 /nfs/dbraw/zinc/45/62/68/847456268.db2.gz CDJQFEYKDUADEL-ZDUSSCGKSA-N 1 0 250.342 1.631 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000876762908 847571276 /nfs/dbraw/zinc/57/12/76/847571276.db2.gz BOKFMKRDPQDLTI-NSHDSACASA-N 1 0 262.309 1.337 20 10 CDCDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000123550195 847586721 /nfs/dbraw/zinc/58/67/21/847586721.db2.gz BYJAHZAARQAMIN-INIZCTEOSA-N 1 0 293.363 1.679 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H](O)COCC2CC2)c1O ZINC000848895982 847589026 /nfs/dbraw/zinc/58/90/26/847589026.db2.gz XCQKYOYLJDUPCM-HNNXBMFYSA-N 1 0 279.380 1.832 20 10 CDCDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(OC)cc1O ZINC000841950745 847600676 /nfs/dbraw/zinc/60/06/76/847600676.db2.gz CBNIPKFSYTWFNX-UHFFFAOYSA-N 1 0 295.383 1.718 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000383794601 847762918 /nfs/dbraw/zinc/76/29/18/847762918.db2.gz NGDDVYINARVCSQ-LBPRGKRZSA-N 1 0 285.338 1.694 20 10 CDCDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1O)OCCO ZINC000311217888 847780935 /nfs/dbraw/zinc/78/09/35/847780935.db2.gz SPRLWIJABKTPOQ-UHFFFAOYSA-N 1 0 273.760 1.923 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2OC)[C@H]1OC ZINC000775978932 847783422 /nfs/dbraw/zinc/78/34/22/847783422.db2.gz PIBDSDALZOELRA-NILFDRSVSA-N 1 0 281.352 1.683 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000846170042 847847220 /nfs/dbraw/zinc/84/72/20/847847220.db2.gz VDJXIBUASCTJOY-GHMZBOCLSA-N 1 0 278.352 1.578 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH2+]C ZINC000851681469 847924326 /nfs/dbraw/zinc/92/43/26/847924326.db2.gz OKUAXKBCQGGMGT-GFCCVEGCSA-N 1 0 279.384 1.922 20 10 CDCDRO C[NH2+][C@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000053201733 847957159 /nfs/dbraw/zinc/95/71/59/847957159.db2.gz OHXSMGAYKSHIKP-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO C[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1O ZINC000851840866 848031302 /nfs/dbraw/zinc/03/13/02/848031302.db2.gz KBIFZMRRFCTAOZ-UHFFFAOYSA-N 1 0 289.383 1.808 20 10 CDCDRO O=C(NCCCSc1nccs1)C12CC(C1)C[NH2+]2 ZINC001121955547 913288610 /nfs/dbraw/zinc/28/86/10/913288610.db2.gz SDJRRPSPZYZPPC-UHFFFAOYSA-N 1 0 283.422 1.494 20 10 CDCDRO CCc1cccc(C[NH2+]CCCCS(C)(=O)=O)c1O ZINC000692830948 900591321 /nfs/dbraw/zinc/59/13/21/900591321.db2.gz LSXWBDOBYMTANL-UHFFFAOYSA-N 1 0 285.409 1.869 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179998 911437450 /nfs/dbraw/zinc/43/74/50/911437450.db2.gz QGDCHIXZUNPASO-KBPBESRZSA-N 1 0 274.364 1.977 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)ccc1N(C)C ZINC001139669570 936319655 /nfs/dbraw/zinc/31/96/55/936319655.db2.gz BEDUQKCRELTIOH-DZGCQCFKSA-N 1 0 266.360 1.966 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)CCSC)cc1C ZINC001123198419 936125812 /nfs/dbraw/zinc/12/58/12/936125812.db2.gz RMBQZRHYIGUTKH-UHFFFAOYSA-N 1 0 296.436 1.963 20 10 CDCDRO [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001137833164 936417980 /nfs/dbraw/zinc/41/79/80/936417980.db2.gz VPYAYUNYZCYROT-WCQYABFASA-N 1 0 257.280 1.826 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC001237489775 917445919 /nfs/dbraw/zinc/44/59/19/917445919.db2.gz DGAJGFKKNXVWTE-GFCCVEGCSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c(OC)c1 ZINC001237675713 917543875 /nfs/dbraw/zinc/54/38/75/917543875.db2.gz FHMZQOJJZBHAIH-HNNXBMFYSA-N 1 0 281.352 1.756 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)ccc21 ZINC001138354544 936525284 /nfs/dbraw/zinc/52/52/84/936525284.db2.gz MZGSFUGYQFUDAT-NVXWUHKLSA-N 1 0 290.407 1.244 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC001183991891 918820754 /nfs/dbraw/zinc/82/07/54/918820754.db2.gz OJZKQSPUYLWEIW-IINYFYTJSA-N 1 0 251.326 1.522 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC2(COC2)C1 ZINC001138495177 936542799 /nfs/dbraw/zinc/54/27/99/936542799.db2.gz UWMQYCZCVYWOPY-UHFFFAOYSA-N 1 0 274.364 1.355 20 10 CDCDRO C[NH+]1CC2(CN(Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC001138500969 936542864 /nfs/dbraw/zinc/54/28/64/936542864.db2.gz IMRUMTIJWKFAMV-UHFFFAOYSA-N 1 0 287.407 1.271 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]([NH3+])[C@H](O)C2)c(OC)c1 ZINC001205351960 920013372 /nfs/dbraw/zinc/01/33/72/920013372.db2.gz AXLMLUCTJHMOCV-HUUCEWRRSA-N 1 0 293.411 1.045 20 10 CDCDRO O=C1CC[N@@H+](Cc2cc(F)ccc2O)C[C@H]2CCCN12 ZINC001140056154 936674535 /nfs/dbraw/zinc/67/45/35/936674535.db2.gz JYHBSYLONMVQBQ-CYBMUJFWSA-N 1 0 278.327 1.728 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1O ZINC001140178438 936684263 /nfs/dbraw/zinc/68/42/63/936684263.db2.gz LQJXMWOZQUJXPA-QWHCGFSZSA-N 1 0 253.317 1.914 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1 ZINC001140619913 936731650 /nfs/dbraw/zinc/73/16/50/936731650.db2.gz UZDYHWZICKUQMT-GJZGRUSLSA-N 1 0 265.353 1.266 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c1O ZINC001140742170 936748056 /nfs/dbraw/zinc/74/80/56/936748056.db2.gz JJIKZPBPDFZNQH-CMPLNLGQSA-N 1 0 265.353 1.999 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001141026678 936794089 /nfs/dbraw/zinc/79/40/89/936794089.db2.gz YTNOWOIAYNLNDW-NEPJUHHUSA-N 1 0 293.363 1.878 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141146342 936820192 /nfs/dbraw/zinc/82/01/92/936820192.db2.gz SSOZPGDOPLBTTL-ZDUSSCGKSA-N 1 0 262.353 1.736 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC001141158711 936822175 /nfs/dbraw/zinc/82/21/75/936822175.db2.gz KTOVXTQMMOIOAS-UHFFFAOYSA-N 1 0 251.282 1.047 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]12 ZINC001141162848 936824142 /nfs/dbraw/zinc/82/41/42/936824142.db2.gz HOFWVPJBNGONLB-GXFFZTMASA-N 1 0 261.321 1.899 20 10 CDCDRO COc1cc(C(=O)N[C@@]2(C)CCC[N@H+](C)C2)cc(O)c1O ZINC001193119666 923463398 /nfs/dbraw/zinc/46/33/98/923463398.db2.gz KEMZHTATNYEOII-HNNXBMFYSA-N 1 0 294.351 1.321 20 10 CDCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2O)C1=O ZINC001273284141 925744978 /nfs/dbraw/zinc/74/49/78/925744978.db2.gz FVFKEJKRPOEKND-OAHLLOKOSA-N 1 0 278.327 1.728 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)CC1 ZINC000827883921 925992806 /nfs/dbraw/zinc/99/28/06/925992806.db2.gz QKALNFUNBLUCOG-UHFFFAOYSA-N 1 0 277.368 1.628 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(Br)cc1O ZINC000691431577 928419568 /nfs/dbraw/zinc/41/95/68/928419568.db2.gz WOXCOACKDSQJOW-SSDOTTSWSA-N 1 0 287.157 1.508 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC3CC3)cc2)CC1 ZINC000883039969 930132192 /nfs/dbraw/zinc/13/21/92/930132192.db2.gz IUNHGVDBSYCZEB-UHFFFAOYSA-N 1 0 288.395 1.400 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CC3(C2)COCC(=O)N3C)c(O)c1 ZINC001274213349 931239772 /nfs/dbraw/zinc/23/97/72/931239772.db2.gz KCUGQWIACLHPJG-UHFFFAOYSA-N 1 0 290.363 1.052 20 10 CDCDRO O=S1(=O)CCN(c2ccc(C3=CC[NH2+]CC3)cc2)CC1 ZINC001240469632 931452341 /nfs/dbraw/zinc/45/23/41/931452341.db2.gz GZXIULHNQSETAU-UHFFFAOYSA-N 1 0 292.404 1.298 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144503841 931863919 /nfs/dbraw/zinc/86/39/19/931863919.db2.gz FIVVBIGAZTVGAT-VIFPVBQESA-N 1 0 265.309 1.604 20 10 CDCDRO Cc1nc(CC[N@@H+](C)Cc2c(O)cc(O)cc2O)no1 ZINC001144504634 931865642 /nfs/dbraw/zinc/86/56/42/931865642.db2.gz YCZOJKLPECLCFX-UHFFFAOYSA-N 1 0 279.296 1.169 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC001144515630 931880880 /nfs/dbraw/zinc/88/08/80/931880880.db2.gz SZPFRDLUGLWNCK-YMTOWFKASA-N 1 0 265.309 1.414 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(OC)c(O)cc1O ZINC001276091685 932518469 /nfs/dbraw/zinc/51/84/69/932518469.db2.gz WXQSMPXJNHLMGV-YHWZYXNKSA-N 1 0 292.379 1.821 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]21 ZINC001148218822 932670742 /nfs/dbraw/zinc/67/07/42/932670742.db2.gz MNRKJHVMDWEQOT-CMPLNLGQSA-N 1 0 276.336 1.264 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1O ZINC000686591898 934177153 /nfs/dbraw/zinc/17/71/53/934177153.db2.gz CPIAJXLUGVXQAU-TZMCWYRMSA-N 1 0 251.326 1.676 20 10 CDCDRO COc1cccc(C[NH2+]C2CCN(OC)CC2)c1O ZINC000692097937 934392657 /nfs/dbraw/zinc/39/26/57/934392657.db2.gz RDTXTBYMZBYISA-UHFFFAOYSA-N 1 0 266.341 1.516 20 10 CDCDRO Nc1ccc(Nc2cccnc2N2CC[NH2+]CC2)cc1 ZINC001159186204 938709437 /nfs/dbraw/zinc/70/94/37/938709437.db2.gz CAICEWFACBLEGB-UHFFFAOYSA-N 1 0 269.352 1.817 20 10 CDCDRO COC(=O)c1cc(N(CCC[NH3+])C(C)C)cc2c1OCO2 ZINC001164127398 939414806 /nfs/dbraw/zinc/41/48/06/939414806.db2.gz VDGFHNYNBWHTNI-UHFFFAOYSA-N 1 0 294.351 1.766 20 10 CDCDRO Oc1ccccc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001203556448 939693362 /nfs/dbraw/zinc/69/33/62/939693362.db2.gz QCVOKWVEUWOQQB-IYBDPMFKSA-N 1 0 288.391 1.687 20 10 CDCDRO COc1cccc(C[N@H+](C)CCC(=O)N(C)C)c1O ZINC001203596607 939695722 /nfs/dbraw/zinc/69/57/22/939695722.db2.gz LMMWLRNRCUAIQS-UHFFFAOYSA-N 1 0 266.341 1.311 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1ccc(OC)cc1O ZINC001203629462 939697895 /nfs/dbraw/zinc/69/78/95/939697895.db2.gz LJGAXHMLHOVIPV-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO COc1ccc(O)c(CN2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001203670495 939700528 /nfs/dbraw/zinc/70/05/28/939700528.db2.gz SEWLJNOXIJBPFK-KBPBESRZSA-N 1 0 287.306 1.645 20 10 CDCDRO C[NH+]1CC2(CN(Cc3cc(Cl)ccc3O)C2)C1 ZINC001203665817 939700603 /nfs/dbraw/zinc/70/06/03/939700603.db2.gz WPXZXTGACGRRRF-UHFFFAOYSA-N 1 0 252.745 1.793 20 10 CDCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874978 939710203 /nfs/dbraw/zinc/71/02/03/939710203.db2.gz GFZHPNDHSDWSTN-PWSUYJOCSA-N 1 0 251.326 1.691 20 10 CDCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880707 939710979 /nfs/dbraw/zinc/71/09/79/939710979.db2.gz WQQQLPOFWOUSPI-NSHDSACASA-N 1 0 279.336 1.873 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1O ZINC001204325025 939755475 /nfs/dbraw/zinc/75/54/75/939755475.db2.gz QFSLBFAQTXWMNC-RDJZCZTQSA-N 1 0 290.407 1.462 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)CO ZINC001204328205 939756459 /nfs/dbraw/zinc/75/64/59/939756459.db2.gz RAIPOOXDBMLDDO-HNNXBMFYSA-N 1 0 264.369 1.072 20 10 CDCDRO COc1cc(C[N@H+](C)C2CCOCC2)cc(O)c1O ZINC001204344745 939758268 /nfs/dbraw/zinc/75/82/68/939758268.db2.gz YCKYOMABVVOIIV-UHFFFAOYSA-N 1 0 267.325 1.717 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc(O)c1O ZINC001204344806 939758400 /nfs/dbraw/zinc/75/84/00/939758400.db2.gz ZBRZEBNOEUAGTL-ONGXEEELSA-N 1 0 267.325 1.309 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc(O)c1O ZINC001204351075 939760332 /nfs/dbraw/zinc/76/03/32/939760332.db2.gz MQIJCTSOTXJNSA-VXGBXAGGSA-N 1 0 291.347 1.907 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(C)cc(OC)cc3O)C[C@@H]21 ZINC001205944444 939958613 /nfs/dbraw/zinc/95/86/13/939958613.db2.gz YJPSRNGZOWOOKH-NHAGDIPZSA-N 1 0 291.347 1.560 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(Cl)c(O)cc3O)[C@@H]2C1 ZINC001276616708 940437859 /nfs/dbraw/zinc/43/78/59/940437859.db2.gz ISKXJHVPYYADCA-JOYOIKCWSA-N 1 0 282.771 1.887 20 10 CDCDRO Nc1ccc(N(Cc2ccccc2)C(=O)C[C@@H](O)C[NH3+])cc1 ZINC001218954949 941293334 /nfs/dbraw/zinc/29/33/34/941293334.db2.gz HQQSWQQZUYUIIY-MRXNPFEDSA-N 1 0 299.374 1.512 20 10 CDCDRO Oc1cc(CN2CCC[C@]23CCC[NH2+]C3)cc(O)c1O ZINC001222254468 941578820 /nfs/dbraw/zinc/57/88/20/941578820.db2.gz YILRBGHZPWZVNB-HNNXBMFYSA-N 1 0 278.352 1.521 20 10 CDCDRO C[C@@H]1CNC(=O)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231590642 942938360 /nfs/dbraw/zinc/93/83/60/942938360.db2.gz JOCMVNKUJAHCME-LLVKDONJSA-N 1 0 270.332 1.866 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(O)cc1O ZINC001231637342 942954592 /nfs/dbraw/zinc/95/45/92/942954592.db2.gz JNCVLMOYJUYLJT-NSHDSACASA-N 1 0 295.335 1.634 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CCN(C(=O)N(C)C)CC2)c(O)c1 ZINC001231842950 943026369 /nfs/dbraw/zinc/02/63/69/943026369.db2.gz QNZBBEDZKZEOGI-UHFFFAOYSA-N 1 0 291.395 1.808 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1c(C)cc(C)cc1O ZINC001231843342 943027030 /nfs/dbraw/zinc/02/70/30/943027030.db2.gz WIAYJPUFUMZLTB-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H](F)C[C@H]1CO ZINC001231848963 943027951 /nfs/dbraw/zinc/02/79/51/943027951.db2.gz MBWSNWKDSWRDQH-OCCSQVGLSA-N 1 0 282.359 1.666 20 10 CDCDRO COC[C@@H]1COCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231850822 943029399 /nfs/dbraw/zinc/02/93/99/943029399.db2.gz VEOBOXKKOCQXDL-CYBMUJFWSA-N 1 0 265.353 1.856 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232834668 943412955 /nfs/dbraw/zinc/41/29/55/943412955.db2.gz JAZMFMRDIJUORN-MFKMUULPSA-N 1 0 250.342 1.413 20 10 CDCDRO Oc1cc(C[N@@H+]2CCC[C@](O)(CF)CC2)cc(O)c1O ZINC001233010713 943460329 /nfs/dbraw/zinc/46/03/29/943460329.db2.gz UAGWLYKKHJJOLF-CQSZACIVSA-N 1 0 285.315 1.490 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@H]1O ZINC001233011150 943461409 /nfs/dbraw/zinc/46/14/09/943461409.db2.gz ZOFNIPHPCQGWAU-MWLCHTKSSA-N 1 0 267.325 1.396 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2c(O)ccc(F)c2F)CCO1 ZINC001233332625 943545653 /nfs/dbraw/zinc/54/56/53/943545653.db2.gz RNTXPBIHEZKBSV-SNVBAGLBSA-N 1 0 286.322 1.433 20 10 CDCDRO NC(=O)C1C[NH+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454881 943588422 /nfs/dbraw/zinc/58/84/22/943588422.db2.gz NKTUVWLETNYZBM-UHFFFAOYSA-N 1 0 274.242 1.328 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234478384 943862472 /nfs/dbraw/zinc/86/24/72/943862472.db2.gz ZHDCPAWONRPBIO-VIFPVBQESA-O 1 0 268.333 1.774 20 10 CDCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCOC3=O)cc2)CC1 ZINC001234657229 943930196 /nfs/dbraw/zinc/93/01/96/943930196.db2.gz CRTAYYNZTVNNEP-OAHLLOKOSA-N 1 0 290.363 1.523 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235077350 944045633 /nfs/dbraw/zinc/04/56/33/944045633.db2.gz ARMVXGDMUBEDQW-HUUCEWRRSA-N 1 0 275.396 1.697 20 10 CDCDRO C[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@H](C)[NH2+]1 ZINC001236579855 944516156 /nfs/dbraw/zinc/51/61/56/944516156.db2.gz WZJCYPJBPXQLOO-DTORHVGOSA-N 1 0 270.760 1.933 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(O)c1 ZINC001236783242 944565280 /nfs/dbraw/zinc/56/52/80/944565280.db2.gz IUHUZUATPSAARO-KGLIPLIRSA-N 1 0 265.353 1.130 20 10 CDCDRO COc1cc(C)c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(O)c1 ZINC001236808746 944575435 /nfs/dbraw/zinc/57/54/35/944575435.db2.gz LOMSMFRVMGDNPZ-ZBFHGGJFSA-N 1 0 292.379 1.224 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236820249 944580299 /nfs/dbraw/zinc/58/02/99/944580299.db2.gz HZNOCGPFHYMKPC-UHFFFAOYSA-N 1 0 267.325 1.704 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@H]1O ZINC001236826449 944585175 /nfs/dbraw/zinc/58/51/75/944585175.db2.gz JTZQWOQEKAMHSW-JKSUJKDBSA-N 1 0 287.359 1.721 20 10 CDCDRO COc1nc(Cl)c(C[NH2+]CCc2ccc(N)cc2)n1C ZINC001261370194 946080126 /nfs/dbraw/zinc/08/01/26/946080126.db2.gz BPEYPOVXUNZURF-UHFFFAOYSA-N 1 0 294.786 1.997 20 10 CDCDRO CCCN(C(=O)NCc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC001262603874 946759672 /nfs/dbraw/zinc/75/96/72/946759672.db2.gz XUAIYRFMTPUCAG-UHFFFAOYSA-N 1 0 290.411 1.942 20 10 CDCDRO O=C1C[C@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc(O)c(O)c3)C[C@H]2C1 ZINC001254913758 947651687 /nfs/dbraw/zinc/65/16/87/947651687.db2.gz GIDNROBMUJWGLB-KZTGVZKYSA-N 1 0 291.347 1.479 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001257035541 948490103 /nfs/dbraw/zinc/49/01/03/948490103.db2.gz CLVJLVIWRIFJLA-CHWSQXEVSA-N 1 0 293.363 1.962 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c(O)c1 ZINC001249208423 949461794 /nfs/dbraw/zinc/46/17/94/949461794.db2.gz UDWFPVWMSWSLMF-BXUZGUMPSA-N 1 0 293.363 1.453 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)NCc1cccc(OC)c1O ZINC001327485479 954902185 /nfs/dbraw/zinc/90/21/85/954902185.db2.gz FKRILWIITFFNLH-JTQLQIEISA-N 1 0 281.356 1.198 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC001334754880 959330305 /nfs/dbraw/zinc/33/03/05/959330305.db2.gz USNCXGGPWCPQRQ-AWEZNQCLSA-N 1 0 273.380 1.713 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c(O)c1OC ZINC001335049839 959548718 /nfs/dbraw/zinc/54/87/18/959548718.db2.gz CHSUSKDYERTULO-INIZCTEOSA-N 1 0 293.363 1.756 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1O ZINC001336164062 960231615 /nfs/dbraw/zinc/23/16/15/960231615.db2.gz SELSQELLWALYPO-UTUOFQBUSA-N 1 0 277.368 1.608 20 10 CDCDRO C[C@H]([NH2+]CCC[NH+](C)C)c1cc(C(=O)[O-])ccc1O ZINC001593264731 994568213 /nfs/dbraw/zinc/56/82/13/994568213.db2.gz MIMYQWGLQPXQIJ-JTQLQIEISA-N 1 0 266.341 1.693 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000092471030 342413125 /nfs/dbraw/zinc/41/31/25/342413125.db2.gz JKUTUIRFTPKTIE-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000295094074 199341092 /nfs/dbraw/zinc/34/10/92/199341092.db2.gz JOPFGJKZDZRRTG-MRXNPFEDSA-N 1 0 291.439 1.689 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC000180190016 357251666 /nfs/dbraw/zinc/25/16/66/357251666.db2.gz IWSYANQPPFCVNO-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1F ZINC000187665264 357791435 /nfs/dbraw/zinc/79/14/35/357791435.db2.gz FJBYTFPWWLNEEF-KBPBESRZSA-N 1 0 296.386 1.599 20 10 CDCDRO CCN1CCC[N@H+](Cc2cccc(OC)c2O)CC1=O ZINC000191544123 358138427 /nfs/dbraw/zinc/13/84/27/358138427.db2.gz CINCJABMJMYJAC-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO Cc1cccc(C[NH2+]CCN2CCSCC2)c1O ZINC000225927718 359633381 /nfs/dbraw/zinc/63/33/81/359633381.db2.gz BUOOEYFCVIUNQU-UHFFFAOYSA-N 1 0 266.410 1.839 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000281748550 363837569 /nfs/dbraw/zinc/83/75/69/363837569.db2.gz HPKQOBNTSISLGW-IBGZPJMESA-N 1 0 283.393 1.792 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC[C@H](C)OC)cc1OC ZINC000271895507 365003877 /nfs/dbraw/zinc/00/38/77/365003877.db2.gz UAFPCPPVZYFXQX-JTQLQIEISA-N 1 0 269.341 1.924 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000272584320 365306210 /nfs/dbraw/zinc/30/62/10/365306210.db2.gz YQWHEKXWSYLHRK-MNOVXSKESA-N 1 0 251.326 1.604 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000281201354 367604643 /nfs/dbraw/zinc/60/46/43/367604643.db2.gz SABPLGNYZOWUDR-RYUDHWBXSA-N 1 0 253.342 1.667 20 10 CDCDRO C[C@@H](O)CN1CC[N@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000284332130 368512868 /nfs/dbraw/zinc/51/28/68/368512868.db2.gz KUHHIEJUGIUWPL-QWHCGFSZSA-N 1 0 264.369 1.279 20 10 CDCDRO CC[C@H](C(N)=O)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000361597023 368927206 /nfs/dbraw/zinc/92/72/06/368927206.db2.gz JTZZAYOCNAUZFJ-OAHLLOKOSA-N 1 0 291.395 1.471 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000294200591 378618138 /nfs/dbraw/zinc/61/81/38/378618138.db2.gz XUUOELCLNWBMIC-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c(O)c1 ZINC000186178319 262083478 /nfs/dbraw/zinc/08/34/78/262083478.db2.gz ZHKCYZROLNUMLE-RISCZKNCSA-N 1 0 251.326 1.503 20 10 CDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000106426901 390544562 /nfs/dbraw/zinc/54/45/62/390544562.db2.gz ZQKQUVIYJKLYOT-HNNXBMFYSA-N 1 0 277.412 1.955 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CCSC1)CC2 ZINC000297744365 285396781 /nfs/dbraw/zinc/39/67/81/285396781.db2.gz OCYMIBHSDSEVEN-FZMZJTMJSA-N 1 0 265.378 1.837 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H](C)OC)CC2)cc1F ZINC000182225452 391233146 /nfs/dbraw/zinc/23/31/46/391233146.db2.gz YYMDEHRFMCZWLC-GFCCVEGCSA-N 1 0 282.359 1.991 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193687598 391344148 /nfs/dbraw/zinc/34/41/48/391344148.db2.gz SARGMFAFNGRNSK-HZMBPMFUSA-N 1 0 278.352 1.405 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296409288 392441514 /nfs/dbraw/zinc/44/15/14/392441514.db2.gz KUESNOZDRRGGON-BHOZQUNFSA-N 1 0 253.367 1.736 20 10 CDCDRO OC[C@@]1([NH2+]Cc2ccccc2O)COc2ccccc2C1 ZINC000527770288 392990515 /nfs/dbraw/zinc/99/05/15/392990515.db2.gz TZUDDXWQCZGNIO-QGZVFWFLSA-N 1 0 285.343 1.848 20 10 CDCDRO O=C(c1cccc(O)c1O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000126404025 260351567 /nfs/dbraw/zinc/35/15/67/260351567.db2.gz BNEVFHOJQNOANC-GFCCVEGCSA-N 1 0 290.363 1.798 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1cc(C)ccc1O ZINC000291243689 263120957 /nfs/dbraw/zinc/12/09/57/263120957.db2.gz LLNSBFLKDVJOEW-AWEZNQCLSA-N 1 0 265.353 1.938 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368349949 267165314 /nfs/dbraw/zinc/16/53/14/267165314.db2.gz UUPORDKPGJCEMH-WDNDVIMCSA-N 1 0 263.337 1.461 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000371326970 267390502 /nfs/dbraw/zinc/39/05/02/267390502.db2.gz LABQXJVSKQDJTL-DOTOQJQBSA-N 1 0 290.407 1.732 20 10 CDCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CN1CCOCC1 ZINC000297540423 279351024 /nfs/dbraw/zinc/35/10/24/279351024.db2.gz FBCUDQCWBSYTNT-UKRRQHHQSA-N 1 0 290.407 1.937 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c1 ZINC000186220188 329339857 /nfs/dbraw/zinc/33/98/57/329339857.db2.gz AKXVYDLARPKCRD-SNVBAGLBSA-N 1 0 250.342 1.863 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)NC(C)(C)C ZINC000134493406 334092180 /nfs/dbraw/zinc/09/21/80/334092180.db2.gz NROSYMYITLSBJJ-SECBINFHSA-N 1 0 294.351 1.514 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC(=O)NC(C)C)c1 ZINC000135754311 334138078 /nfs/dbraw/zinc/13/80/78/334138078.db2.gz MTWQJKZXGUJNJQ-UHFFFAOYSA-N 1 0 266.341 1.405 20 10 CDCDRO COc1ccc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245928126 334224334 /nfs/dbraw/zinc/22/43/34/334224334.db2.gz OWGLYICCKHQHPC-ZDUSSCGKSA-N 1 0 262.353 1.681 20 10 CDCDRO CCOc1cccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC000226297450 1160334943 /nfs/dbraw/zinc/33/49/43/1160334943.db2.gz JBUBCGNHHCSDIT-YPMHNXCESA-N 1 0 264.369 1.960 20 10 CDCDRO C[N@H+](CCO)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236253072 1161220239 /nfs/dbraw/zinc/22/02/39/1161220239.db2.gz BRCSUPRCBDAFBZ-UHFFFAOYSA-N 1 0 276.380 1.515 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001169497673 1162009671 /nfs/dbraw/zinc/00/96/71/1162009671.db2.gz ZVRVEOIETQMNPF-MRXNPFEDSA-N 1 0 287.407 1.997 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1OC ZINC000274992699 520370516 /nfs/dbraw/zinc/37/05/16/520370516.db2.gz ZFZFKYCWQINEGY-UXIGCNINSA-N 1 0 281.352 1.683 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1F ZINC000265804615 520911442 /nfs/dbraw/zinc/91/14/42/520911442.db2.gz UKSJICNJPVKWDL-ZDUSSCGKSA-N 1 0 293.386 1.992 20 10 CDCDRO CC[N@H+](CCNC(=O)c1c(F)ccc(O)c1O)C1CC1 ZINC000276615998 521069466 /nfs/dbraw/zinc/06/94/66/521069466.db2.gz QDXWTOTWIBHJLC-UHFFFAOYSA-N 1 0 282.315 1.451 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000263789236 521154925 /nfs/dbraw/zinc/15/49/25/521154925.db2.gz XKDKFQKNSAIRPD-NSHDSACASA-N 1 0 264.325 1.111 20 10 CDCDRO CC[C@H](COC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000079735208 522259681 /nfs/dbraw/zinc/25/96/81/522259681.db2.gz GPQODUBJGBLGHC-SNVBAGLBSA-N 1 0 253.298 1.636 20 10 CDCDRO COC1(C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000163814030 522553971 /nfs/dbraw/zinc/55/39/71/522553971.db2.gz ILPNJABEHBZICK-UHFFFAOYSA-N 1 0 291.395 1.137 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccccc1O ZINC000068801425 522856080 /nfs/dbraw/zinc/85/60/80/522856080.db2.gz SEICTMSSDSEJQC-UKRRQHHQSA-N 1 0 277.412 1.679 20 10 CDCDRO C[C@H](CC[NH+](C)C)NC(=O)N(C)Cc1ccccc1O ZINC000299345847 524155760 /nfs/dbraw/zinc/15/57/60/524155760.db2.gz GQDUJHVOUCUYPH-GFCCVEGCSA-N 1 0 279.384 1.874 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000195007500 524528613 /nfs/dbraw/zinc/52/86/13/524528613.db2.gz VAZFAXBPTPCLLY-PELKAZGASA-N 1 0 252.289 1.146 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278366639 524748597 /nfs/dbraw/zinc/74/85/97/524748597.db2.gz KFHSHOXFAJXDDS-UHFFFAOYSA-N 1 0 292.379 1.355 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000279954969 524749070 /nfs/dbraw/zinc/74/90/70/524749070.db2.gz ZVZHMVQCKAKAEJ-UHFFFAOYSA-N 1 0 285.365 1.068 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCCNC2=O)c1 ZINC000036976485 524754077 /nfs/dbraw/zinc/75/40/77/524754077.db2.gz HVXQPLMVJGRNOU-GFCCVEGCSA-N 1 0 264.325 1.159 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c(O)c1 ZINC000280875750 525924910 /nfs/dbraw/zinc/92/49/10/525924910.db2.gz NZQJQXFOUNTIOY-MELADBBJSA-N 1 0 279.380 1.996 20 10 CDCDRO O=C(NCc1ccccc1O)C1CC[NH+](C2CC2)CC1 ZINC000280033519 526754496 /nfs/dbraw/zinc/75/44/96/526754496.db2.gz YZCUMQDQLQOWDG-UHFFFAOYSA-N 1 0 274.364 1.883 20 10 CDCDRO [NH3+]CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000237791138 527179844 /nfs/dbraw/zinc/17/98/44/527179844.db2.gz RMNLBOHWKGNUIE-QPJJXVBHSA-N 1 0 289.379 1.001 20 10 CDCDRO CN(CC[NH+]1CCCC1)C(=O)C1=CC(=O)CS1 ZINC000732286265 575086889 /nfs/dbraw/zinc/08/68/89/575086889.db2.gz DHYNDEOODKIDHB-UHFFFAOYSA-N 1 0 254.355 1.622 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000773753372 575837847 /nfs/dbraw/zinc/83/78/47/575837847.db2.gz HWAYVPGFZRXCPI-OAHLLOKOSA-N 1 0 288.395 1.352 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(NC(C)=O)CC2)c(O)c1 ZINC000769193402 576336887 /nfs/dbraw/zinc/33/68/87/576336887.db2.gz ZPCDAFQTKZYSLB-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000761223917 576561114 /nfs/dbraw/zinc/56/11/14/576561114.db2.gz VCNKQELSMTUBLD-UKRRQHHQSA-N 1 0 281.352 1.684 20 10 CDCDRO C[NH+](C)CC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000748323371 576905618 /nfs/dbraw/zinc/90/56/18/576905618.db2.gz JEMWOBFKTNIRDM-UHFFFAOYSA-N 1 0 268.382 1.868 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1 ZINC000756608261 576997270 /nfs/dbraw/zinc/99/72/70/576997270.db2.gz AATSQFSKTIZDRU-ABAIWWIYSA-N 1 0 275.352 1.818 20 10 CDCDRO Oc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823731669 606216568 /nfs/dbraw/zinc/21/65/68/606216568.db2.gz BGSYBPKLMHNLMC-UHFFFAOYSA-N 1 0 287.348 1.924 20 10 CDCDRO CN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253416 617391625 /nfs/dbraw/zinc/39/16/25/617391625.db2.gz SJDQLENLNUZNGU-AWEZNQCLSA-N 1 0 278.400 1.627 20 10 CDCDRO CN(C)c1ccc([C@@H](CNC(=O)C2(F)CC2)[NH+](C)C)cc1 ZINC000891246035 617391122 /nfs/dbraw/zinc/39/11/22/617391122.db2.gz LNBGMYXAMDPTSO-CQSZACIVSA-N 1 0 293.386 1.974 20 10 CDCDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892078839 617465737 /nfs/dbraw/zinc/46/57/37/617465737.db2.gz TUODXNMVRRYFJX-GWCFXTLKSA-N 1 0 275.352 1.415 20 10 CDCDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892090332 617474831 /nfs/dbraw/zinc/47/48/31/617474831.db2.gz VNTIFDXFCLBYBU-RYUDHWBXSA-N 1 0 275.352 1.687 20 10 CDCDRO CC(C)[NH2+]CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000891987548 617953420 /nfs/dbraw/zinc/95/34/20/617953420.db2.gz BWAHAOYIQPTEPR-UHFFFAOYSA-N 1 0 277.368 1.806 20 10 CDCDRO COc1ccc(C[NH2+]CCc2ccn(C)n2)c(O)c1OC ZINC000893595254 617637395 /nfs/dbraw/zinc/63/73/95/617637395.db2.gz VCCGAUACIHSMBJ-UHFFFAOYSA-N 1 0 291.351 1.475 20 10 CDCDRO COc1ccc(C[NH2+]C2(CO)CC2)c(O)c1OC ZINC000893388664 617774863 /nfs/dbraw/zinc/77/48/63/617774863.db2.gz RSTUUDFNBFHGAE-UHFFFAOYSA-N 1 0 253.298 1.024 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000893985316 618238054 /nfs/dbraw/zinc/23/80/54/618238054.db2.gz BBYYUMUJFPKKGH-NSHDSACASA-N 1 0 251.326 1.523 20 10 CDCDRO COc1cc(C)cc(CNC[C@@H](O)C[NH+]2CCCC2)c1O ZINC000894200149 618688229 /nfs/dbraw/zinc/68/82/29/618688229.db2.gz KBQKKUGCHBCLAE-CQSZACIVSA-N 1 0 294.395 1.256 20 10 CDCDRO Cc1cccc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843056971 618691051 /nfs/dbraw/zinc/69/10/51/618691051.db2.gz DKKYUYPTCPOFSA-WCQYABFASA-N 1 0 250.342 1.249 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000894323925 618771836 /nfs/dbraw/zinc/77/18/36/618771836.db2.gz SHCRLCGCTYAPCM-LBPRGKRZSA-N 1 0 278.352 1.420 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1O ZINC000894500944 618927008 /nfs/dbraw/zinc/92/70/08/618927008.db2.gz SLHLMUYVVNAJIR-MFKMUULPSA-N 1 0 292.379 1.795 20 10 CDCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCNC1=O ZINC000894664740 619008005 /nfs/dbraw/zinc/00/80/05/619008005.db2.gz ZNDGYUFSAHEOMD-LBPRGKRZSA-N 1 0 278.352 1.420 20 10 CDCDRO CCC1(C[NH2+]Cc2ccc(OC)c(OC)c2O)COC1 ZINC000894750773 619043251 /nfs/dbraw/zinc/04/32/51/619043251.db2.gz LTUWRHQXTVJNOS-UHFFFAOYSA-N 1 0 281.352 1.926 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000895344827 619589176 /nfs/dbraw/zinc/58/91/76/619589176.db2.gz QBDSLIZADMRTKP-OCCSQVGLSA-N 1 0 251.326 1.976 20 10 CDCDRO COc1ccc(C[N@H+](C)CC2(C)COC2)c(O)c1OC ZINC000895582626 619745697 /nfs/dbraw/zinc/74/56/97/619745697.db2.gz WDMQNYWDQHBVPD-UHFFFAOYSA-N 1 0 281.352 1.878 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841893773 619863760 /nfs/dbraw/zinc/86/37/60/619863760.db2.gz IZPWJIFTIOHBET-SNVBAGLBSA-N 1 0 286.322 1.830 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1OC ZINC000895925494 619903641 /nfs/dbraw/zinc/90/36/41/619903641.db2.gz BAMZBUUHTPURFI-TXEJJXNPSA-N 1 0 279.336 1.488 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CC[C@H](O)C1CC1)OCO2 ZINC000898207081 621363334 /nfs/dbraw/zinc/36/33/34/621363334.db2.gz ZSDNEMUJUKCGMM-NSHDSACASA-N 1 0 265.309 1.372 20 10 CDCDRO CCn1ccnc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041124 621543450 /nfs/dbraw/zinc/54/34/50/621543450.db2.gz ADCVCIYJBHEBJD-OAHLLOKOSA-N 1 0 287.411 1.759 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCO[C@H]1CCOC1)CC2 ZINC000927082687 621691208 /nfs/dbraw/zinc/69/12/08/621691208.db2.gz HIVRVQIRHPKLMH-STQMWFEESA-N 1 0 263.337 1.775 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2CC)c(O)c1 ZINC000898540804 621786486 /nfs/dbraw/zinc/78/64/86/621786486.db2.gz BDQVNXORHCYJAL-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO C[C@@]1(C(=O)NCc2cccc(Cl)c2O)CC[NH2+]C1 ZINC001573596200 1170701679 /nfs/dbraw/zinc/70/16/79/1170701679.db2.gz GAFZPEVFKICVJL-CYBMUJFWSA-N 1 0 268.744 1.661 20 10 CDCDRO Cc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)c(O)c1O ZINC001579661257 1172236043 /nfs/dbraw/zinc/23/60/43/1172236043.db2.gz RGEXSKCFGHXNHG-HNNXBMFYSA-N 1 0 280.368 1.900 20 10 CDCDRO [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@@]2(C(=O)[O-])C1 ZINC001601204890 1174787256 /nfs/dbraw/zinc/78/72/56/1174787256.db2.gz QGCAEGSTTMIOKA-RWSFTLGLSA-N 1 0 294.326 1.155 20 10 CDCDRO [NH3+][C@H]1C[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001601205941 1174788886 /nfs/dbraw/zinc/78/88/86/1174788886.db2.gz XULNOSVRTOEPNV-WVSHTKLVSA-N 1 0 298.770 1.670 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(C)C2)cc1Cl ZINC000825186089 697650900 /nfs/dbraw/zinc/65/09/00/697650900.db2.gz VYKIRQLKPMKPHK-JTQLQIEISA-N 1 0 268.744 1.674 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000858319592 697730124 /nfs/dbraw/zinc/73/01/24/697730124.db2.gz CLGZRUBOSFXMTG-JTQLQIEISA-N 1 0 264.325 1.119 20 10 CDCDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(N)cc2)CCSC1 ZINC000841299937 697799441 /nfs/dbraw/zinc/79/94/41/697799441.db2.gz MGGXRUAZTWVYRF-CQSZACIVSA-N 1 0 294.424 1.828 20 10 CDCDRO C[NH2+][C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000843344683 697852995 /nfs/dbraw/zinc/85/29/95/697852995.db2.gz QMQSJFPSRDMQCA-GFCCVEGCSA-N 1 0 266.316 1.528 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834697985 697876377 /nfs/dbraw/zinc/87/63/77/697876377.db2.gz SNWLPWCCYAABQT-JHJVBQTASA-N 1 0 274.364 1.884 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000789764193 697887944 /nfs/dbraw/zinc/88/79/44/697887944.db2.gz UKEWMDVUQFPGNZ-CYBMUJFWSA-N 1 0 294.395 1.553 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1OC ZINC000817414602 697897560 /nfs/dbraw/zinc/89/75/60/697897560.db2.gz MAXIQLQPYOWACB-ZYHUDNBSSA-N 1 0 281.352 1.755 20 10 CDCDRO C[NH2+][C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843048510 697906114 /nfs/dbraw/zinc/90/61/14/697906114.db2.gz DLKTZEWFDYRUIP-NSHDSACASA-N 1 0 295.339 1.493 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000128095947 697909493 /nfs/dbraw/zinc/90/94/93/697909493.db2.gz YTJODJUYRQFZQA-NWDGAFQWSA-N 1 0 251.326 1.650 20 10 CDCDRO Oc1ccc(F)cc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229924 697933947 /nfs/dbraw/zinc/93/39/47/697933947.db2.gz IYHONMDRUUPOFN-KBPBESRZSA-N 1 0 250.317 1.906 20 10 CDCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955588 697955174 /nfs/dbraw/zinc/95/51/74/697955174.db2.gz HMCJZQXEOGNFNW-OAHLLOKOSA-N 1 0 290.411 1.595 20 10 CDCDRO CC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000846843442 698017740 /nfs/dbraw/zinc/01/77/40/698017740.db2.gz CMWMBOHDCOTSCW-RYUDHWBXSA-N 1 0 282.384 1.364 20 10 CDCDRO COCCC[N@H+](CCO)Cc1c(O)cccc1OC ZINC000783730945 698066775 /nfs/dbraw/zinc/06/67/75/698066775.db2.gz XFQUJNAXSQBHKK-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000132585772 698091117 /nfs/dbraw/zinc/09/11/17/698091117.db2.gz SPJOQADTPRTVCZ-SWLSCSKDSA-N 1 0 263.385 1.301 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1O ZINC000848919863 698117171 /nfs/dbraw/zinc/11/71/71/698117171.db2.gz UAHCCJZVTOPGPB-UONOGXRCSA-N 1 0 293.363 1.310 20 10 CDCDRO C[NH2+]CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829002532 698133296 /nfs/dbraw/zinc/13/32/96/698133296.db2.gz BOHNQSMJLQPLJL-AWEZNQCLSA-N 1 0 292.379 1.509 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)c(O)c1 ZINC000832178653 698153941 /nfs/dbraw/zinc/15/39/41/698153941.db2.gz VEIGVYKUZZLSFC-JOYOIKCWSA-N 1 0 264.325 1.015 20 10 CDCDRO CN1C(=O)[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]2C1=O ZINC000877720317 698228949 /nfs/dbraw/zinc/22/89/49/698228949.db2.gz NLBICPJYDDIAHL-DTORHVGOSA-N 1 0 294.738 1.092 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2c(C)cccc2O)CCOC1 ZINC000877371516 698284909 /nfs/dbraw/zinc/28/49/09/698284909.db2.gz IYLGMQILJGKWKS-AWEZNQCLSA-N 1 0 251.326 1.596 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883379092 698323988 /nfs/dbraw/zinc/32/39/88/698323988.db2.gz MIJYLTFGDVQMPW-MGCOHNPYSA-N 1 0 285.365 1.066 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000825973799 698331696 /nfs/dbraw/zinc/33/16/96/698331696.db2.gz QONVZUPWGSMPNG-ZBFHGGJFSA-N 1 0 273.380 1.368 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCCOCCO)c1O ZINC000846165571 698392649 /nfs/dbraw/zinc/39/26/49/698392649.db2.gz OVWDPIVCAHRLSN-LLVKDONJSA-N 1 0 269.341 1.450 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1O ZINC000775137038 698393443 /nfs/dbraw/zinc/39/34/43/698393443.db2.gz QOYDMRARHJJPFB-AAEUAGOBSA-N 1 0 265.353 1.830 20 10 CDCDRO COCC1(C)C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000839142786 698400759 /nfs/dbraw/zinc/40/07/59/698400759.db2.gz AYIHPRIMJDRORO-UHFFFAOYSA-N 1 0 281.352 1.878 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000808228323 698589513 /nfs/dbraw/zinc/58/95/13/698589513.db2.gz UAFODRPJZPAZJP-GFCCVEGCSA-N 1 0 262.353 1.706 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)NCC1C[NH2+]C1 ZINC000841709776 698646506 /nfs/dbraw/zinc/64/65/06/698646506.db2.gz MJCVQEJQSUKULW-UHFFFAOYSA-N 1 0 288.395 1.305 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c(O)c1 ZINC000876593930 698656567 /nfs/dbraw/zinc/65/65/67/698656567.db2.gz NGCSYFUEXNPSGS-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000850388807 698754411 /nfs/dbraw/zinc/75/44/11/698754411.db2.gz PWDXXZMTQVNIRH-LBPRGKRZSA-N 1 0 265.353 1.899 20 10 CDCDRO CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccccc1O ZINC000817982538 698821420 /nfs/dbraw/zinc/82/14/20/698821420.db2.gz DZMQYRSDBGJOEE-AAEUAGOBSA-N 1 0 250.342 1.421 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000817955209 698825797 /nfs/dbraw/zinc/82/57/97/698825797.db2.gz SMFANZUUKVSMOA-NWDGAFQWSA-N 1 0 292.379 1.829 20 10 CDCDRO CC(=O)NCCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928995 698828152 /nfs/dbraw/zinc/82/81/52/698828152.db2.gz JXJOVJGZPBAHEQ-UHFFFAOYSA-N 1 0 263.385 1.677 20 10 CDCDRO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1O ZINC000776811612 698842390 /nfs/dbraw/zinc/84/23/90/698842390.db2.gz BGDXFKKIPGENAK-HIFRSBDPSA-N 1 0 281.352 1.302 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000846666196 698848326 /nfs/dbraw/zinc/84/83/26/698848326.db2.gz SEHKXPNYWXKUCO-CYBMUJFWSA-N 1 0 261.369 1.317 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c(O)c1 ZINC000877100216 698852539 /nfs/dbraw/zinc/85/25/39/698852539.db2.gz QSVPCJHKSQZWOC-WFASDCNBSA-N 1 0 264.369 1.509 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H](C)CC[NH+](C)C)c(O)c1 ZINC000792946624 698852900 /nfs/dbraw/zinc/85/29/00/698852900.db2.gz RYHMOOUIOTZBOP-NSHDSACASA-N 1 0 295.383 1.540 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)c1 ZINC000135727166 698853819 /nfs/dbraw/zinc/85/38/19/698853819.db2.gz LLBYJTYLUMPRMZ-UWVGGRQHSA-N 1 0 278.352 1.719 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC000843434047 698863394 /nfs/dbraw/zinc/86/33/94/698863394.db2.gz GYWKOMBIHCKWRI-STQMWFEESA-N 1 0 279.336 1.056 20 10 CDCDRO COc1c([O-])c(C[NH2+]C2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843105071 698865758 /nfs/dbraw/zinc/86/57/58/698865758.db2.gz PWBMQTACWOLXGB-UHFFFAOYSA-N 1 0 295.339 1.669 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168340 698875922 /nfs/dbraw/zinc/87/59/22/698875922.db2.gz SOPKSBXHNJZQML-ZJUUUORDSA-N 1 0 255.314 1.059 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(O)CC2)c1 ZINC000162267153 698882163 /nfs/dbraw/zinc/88/21/63/698882163.db2.gz OYMRMWHTLPPAOQ-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000134700967 698895215 /nfs/dbraw/zinc/89/52/15/698895215.db2.gz GLLVPRUAWYMUFK-MRXNPFEDSA-N 1 0 278.396 1.630 20 10 CDCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1OC)C(=O)NC ZINC000825316141 698899071 /nfs/dbraw/zinc/89/90/71/698899071.db2.gz KRDUNJQIXNQLMC-SNVBAGLBSA-N 1 0 252.314 1.015 20 10 CDCDRO CCc1cccc(C[N@H+](C)CC(=O)NCCCOC)c1O ZINC000848879775 698903171 /nfs/dbraw/zinc/90/31/71/698903171.db2.gz CCSVIFFSDSGNRW-UHFFFAOYSA-N 1 0 294.395 1.539 20 10 CDCDRO COc1ccc(N(C)C[C@@H](O)C[N@H+](C)C2CC2)cc1OC ZINC000809936759 698927242 /nfs/dbraw/zinc/92/72/42/698927242.db2.gz OTGGLJRAGKJUAJ-AWEZNQCLSA-N 1 0 294.395 1.595 20 10 CDCDRO OCC1(C[NH2+]Cc2c(O)cccc2Cl)CCOCC1 ZINC000130059502 698985521 /nfs/dbraw/zinc/98/55/21/698985521.db2.gz UIURIGAPLIVFLV-UHFFFAOYSA-N 1 0 285.771 1.924 20 10 CDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000831177981 699007907 /nfs/dbraw/zinc/00/79/07/699007907.db2.gz HLXNXXSUOMPPFM-GHMZBOCLSA-N 1 0 264.373 1.236 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H](C)CCO)c1O ZINC000097439601 704808009 /nfs/dbraw/zinc/80/80/09/704808009.db2.gz HIMZIKDAWBDQQY-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1OC ZINC000877474802 704843949 /nfs/dbraw/zinc/84/39/49/704843949.db2.gz GJFJSJLMTMQNOJ-OKILXGFUSA-N 1 0 251.326 1.546 20 10 CDCDRO CCCCOCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273020 704850598 /nfs/dbraw/zinc/85/05/98/704850598.db2.gz LJFFDUJPHXDUOR-OAHLLOKOSA-N 1 0 293.411 1.685 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1COCCO1 ZINC000827140555 704869094 /nfs/dbraw/zinc/86/90/94/704869094.db2.gz LHQGSBQBIYBFOH-NSHDSACASA-N 1 0 267.325 1.248 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccccc1O ZINC000717355554 704998944 /nfs/dbraw/zinc/99/89/44/704998944.db2.gz VJEZKOXBXKKGOW-DGCLKSJQSA-N 1 0 252.358 1.355 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000302295166 705045194 /nfs/dbraw/zinc/04/51/94/705045194.db2.gz LXTJNDMNHKSZQF-SECBINFHSA-N 1 0 259.733 1.533 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(O)c1 ZINC000831217626 705146960 /nfs/dbraw/zinc/14/69/60/705146960.db2.gz DBPUELMGUXJEKO-ZJUUUORDSA-N 1 0 281.356 1.326 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858618465 705152174 /nfs/dbraw/zinc/15/21/74/705152174.db2.gz CSVAMDYSPNGZNB-CQSZACIVSA-N 1 0 291.395 1.984 20 10 CDCDRO COc1cc(O)c(C[NH2+]C/C=C\CO)cc1OC ZINC000826937364 705233492 /nfs/dbraw/zinc/23/34/92/705233492.db2.gz LUHZZSIEJCRXMG-ARJAWSKDSA-N 1 0 253.298 1.048 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000925399932 705268725 /nfs/dbraw/zinc/26/87/25/705268725.db2.gz QUVLFATVIBVEQM-OAHLLOKOSA-N 1 0 290.411 1.598 20 10 CDCDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841848150 848075507 /nfs/dbraw/zinc/07/55/07/848075507.db2.gz XPVCXSNLDRMZDI-AWEZNQCLSA-N 1 0 277.412 1.952 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000846162611 848087165 /nfs/dbraw/zinc/08/71/65/848087165.db2.gz IOKMJZRLNBOJCM-JJQCHNSYSA-N 1 0 271.382 1.818 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000204598414 848160572 /nfs/dbraw/zinc/16/05/72/848160572.db2.gz JDRLKEQYCZPDSJ-UHFFFAOYSA-N 1 0 250.342 1.846 20 10 CDCDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CC1)c1ccccc1O ZINC000922981927 848209800 /nfs/dbraw/zinc/20/98/00/848209800.db2.gz VIRJXKDTZACBGP-LLVKDONJSA-N 1 0 277.368 1.847 20 10 CDCDRO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)n1-c1ccccn1 ZINC000877168405 848268704 /nfs/dbraw/zinc/26/87/04/848268704.db2.gz SXCJLTNTIVHSKR-KBPBESRZSA-N 1 0 296.374 1.675 20 10 CDCDRO C[C@@H](c1nnnn1C1CC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350651 848271921 /nfs/dbraw/zinc/27/19/21/848271921.db2.gz RZYIJXWZNODYPY-NSHDSACASA-N 1 0 298.394 1.981 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@@H](O)C2CC2)c1O ZINC000809751485 848289711 /nfs/dbraw/zinc/28/97/11/848289711.db2.gz IGNPHKCXKLPNOT-GFCCVEGCSA-N 1 0 251.326 1.604 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000848913362 848382790 /nfs/dbraw/zinc/38/27/90/848382790.db2.gz UZIRFQQRVTXSEN-LBPRGKRZSA-N 1 0 297.420 1.821 20 10 CDCDRO Fc1cc(C[NH2+]C[C@H]2CCCO2)ccc1N1CCOCC1 ZINC000066969958 848405691 /nfs/dbraw/zinc/40/56/91/848405691.db2.gz DOVJFNITKQYFER-CQSZACIVSA-N 1 0 294.370 1.931 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H](C)C1(CO)CC1 ZINC000850361655 848466851 /nfs/dbraw/zinc/46/68/51/848466851.db2.gz UPCCCSJQEWYJTK-SNVBAGLBSA-N 1 0 251.326 1.651 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000846097605 848487906 /nfs/dbraw/zinc/48/79/06/848487906.db2.gz SRTUJJQIOGCOBG-JTQLQIEISA-N 1 0 266.316 1.489 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC000843120842 848579422 /nfs/dbraw/zinc/57/94/22/848579422.db2.gz WQQGMOATMXXJPU-INIZCTEOSA-N 1 0 276.380 1.976 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000717354926 848585763 /nfs/dbraw/zinc/58/57/63/848585763.db2.gz RNCIQEAZWWPKFZ-NEPJUHHUSA-N 1 0 252.358 1.274 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](C[NH3+])C2)cc1F ZINC000841758323 848586762 /nfs/dbraw/zinc/58/67/62/848586762.db2.gz ANBZVBNAKCJXQE-LBPRGKRZSA-N 1 0 294.374 1.382 20 10 CDCDRO O[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCSC1 ZINC000304682153 848599754 /nfs/dbraw/zinc/59/97/54/848599754.db2.gz ZVYSKBLMJVYDCO-AWEZNQCLSA-N 1 0 265.378 1.579 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH3+])CC2)c1 ZINC000843490040 848635586 /nfs/dbraw/zinc/63/55/86/848635586.db2.gz WAEUWMGGDXKMQS-QMMMGPOBSA-N 1 0 250.298 1.069 20 10 CDCDRO CNC(=O)CN1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876928117 848678879 /nfs/dbraw/zinc/67/88/79/848678879.db2.gz ULAIKVYQFIXYAA-UHFFFAOYSA-N 1 0 291.395 1.001 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1C ZINC000131745967 848789980 /nfs/dbraw/zinc/78/99/80/848789980.db2.gz SXNNFEFUSDHADN-ZDUSSCGKSA-N 1 0 283.393 1.676 20 10 CDCDRO COc1ccc(O)c(CNC(=[NH2+])NC2CCCC2)c1 ZINC000849008949 848829410 /nfs/dbraw/zinc/82/94/10/848829410.db2.gz KUBWNGLMIADQQK-UHFFFAOYSA-N 1 0 263.341 1.957 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252674326 848874534 /nfs/dbraw/zinc/87/45/34/848874534.db2.gz QFTJDBXOORTOFQ-NWDGAFQWSA-N 1 0 296.798 1.998 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)c1O ZINC000846155657 848992586 /nfs/dbraw/zinc/99/25/86/848992586.db2.gz BODYRMWFVGADEE-IINYFYTJSA-N 1 0 267.325 1.203 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000821807244 849041294 /nfs/dbraw/zinc/04/12/94/849041294.db2.gz OXFYISCLLIDUSF-NSHDSACASA-N 1 0 292.379 1.487 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000827699119 849080287 /nfs/dbraw/zinc/08/02/87/849080287.db2.gz FFRGTTWZIBJZOE-NHYWBVRUSA-N 1 0 265.353 1.851 20 10 CDCDRO Cc1cc(Cn2cc(C[NH2+]C3CC3)nn2)ccc1N(C)C ZINC000881377618 849104570 /nfs/dbraw/zinc/10/45/70/849104570.db2.gz REVABKXAIZAHQP-UHFFFAOYSA-N 1 0 285.395 1.953 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1 ZINC000886231910 849119428 /nfs/dbraw/zinc/11/94/28/849119428.db2.gz NEPJTBPZMCSOHH-GDBMZVCRSA-N 1 0 278.396 1.772 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)CO ZINC000929185777 849124223 /nfs/dbraw/zinc/12/42/23/849124223.db2.gz ZDLCPQFPOCBHDP-MRXNPFEDSA-N 1 0 278.396 1.462 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(Cl)cc1O ZINC000858551625 849188131 /nfs/dbraw/zinc/18/81/31/849188131.db2.gz KVSCKVBMTBSYFA-RLCGTCKNSA-N 1 0 271.744 1.846 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000877764804 849308329 /nfs/dbraw/zinc/30/83/29/849308329.db2.gz PMWCQHAQXTXTTE-IYBDPMFKSA-N 1 0 292.423 1.565 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCCNC(C)=O)c1O ZINC000846138052 849340696 /nfs/dbraw/zinc/34/06/96/849340696.db2.gz XRRUTRGGWSNPNP-SNVBAGLBSA-N 1 0 266.341 1.578 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C)c1 ZINC000922575944 849385509 /nfs/dbraw/zinc/38/55/09/849385509.db2.gz QGMJRWNNCZGZJR-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO CC(C)[NH2+]CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000852785889 849415861 /nfs/dbraw/zinc/41/58/61/849415861.db2.gz QZJXAZMOYRROTE-UHFFFAOYSA-N 1 0 275.396 1.901 20 10 CDCDRO CCOc1cccc(C[NH2+]CC(=O)N(CC)CC)c1O ZINC000134492878 849423655 /nfs/dbraw/zinc/42/36/55/849423655.db2.gz LZPCODBQZXRVJG-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2cncn2)c1 ZINC000394320052 849459920 /nfs/dbraw/zinc/45/99/20/849459920.db2.gz CSNAPIBNGNBYMB-SNVBAGLBSA-N 1 0 262.313 1.343 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000237085680 849485208 /nfs/dbraw/zinc/48/52/08/849485208.db2.gz NSQBJHXEZVALMJ-MRXNPFEDSA-N 1 0 275.396 1.677 20 10 CDCDRO C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C[NH3+] ZINC000841857985 849511703 /nfs/dbraw/zinc/51/17/03/849511703.db2.gz XMKUIMGQSTUBFJ-YPMHNXCESA-N 1 0 261.369 1.255 20 10 CDCDRO COc1cccc(CN(C)CCC[NH+](C)C)c1O ZINC000211530028 849512603 /nfs/dbraw/zinc/51/26/03/849512603.db2.gz JPDAVUFSLSJVHL-UHFFFAOYSA-N 1 0 252.358 1.784 20 10 CDCDRO OC[C@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000877780346 849542344 /nfs/dbraw/zinc/54/23/44/849542344.db2.gz NKWJALASYRFCGY-NSHDSACASA-N 1 0 273.785 1.955 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000839648756 849543858 /nfs/dbraw/zinc/54/38/58/849543858.db2.gz DFLAXITWLZFKGM-ZBFHGGJFSA-N 1 0 278.396 1.630 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCc1cnn(C)n1 ZINC000877551163 849559316 /nfs/dbraw/zinc/55/93/16/849559316.db2.gz TXPUEBTYQMOCMM-UHFFFAOYSA-N 1 0 260.341 1.552 20 10 CDCDRO C[NH2+][C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841882336 849694605 /nfs/dbraw/zinc/69/46/05/849694605.db2.gz JKGCNLYWPDAJSK-OCCSQVGLSA-N 1 0 290.411 1.817 20 10 CDCDRO CC[N@H+](CCNC(=O)Cc1ccc(N)cc1)C(C)C ZINC000236860118 849698618 /nfs/dbraw/zinc/69/86/18/849698618.db2.gz PIRJKYJVOPHQIY-UHFFFAOYSA-N 1 0 263.385 1.658 20 10 CDCDRO [O-]c1ccc(Cl)c(F)c1C[N@@H+](CCO)CCCO ZINC000792168052 849730921 /nfs/dbraw/zinc/73/09/21/849730921.db2.gz ZWLXGWWXTJTRFI-UHFFFAOYSA-N 1 0 277.723 1.361 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[NH3+] ZINC000841969735 849778669 /nfs/dbraw/zinc/77/86/69/849778669.db2.gz POEGFVRGMPIPBC-GFCCVEGCSA-N 1 0 278.400 1.631 20 10 CDCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902405 849803532 /nfs/dbraw/zinc/80/35/32/849803532.db2.gz PSAJFGDHOCQEQZ-WFASDCNBSA-N 1 0 276.380 1.478 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000037801145 849810199 /nfs/dbraw/zinc/81/01/99/849810199.db2.gz RGUSBBRUDKSIAA-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)COCC2CC2)cc1 ZINC000832300150 849901904 /nfs/dbraw/zinc/90/19/04/849901904.db2.gz NHHGQTHFDVZHFM-OAHLLOKOSA-N 1 0 291.395 1.295 20 10 CDCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCNC(=O)CC3)ccc21 ZINC000396716560 849933501 /nfs/dbraw/zinc/93/35/01/849933501.db2.gz RMRIBNACHUQEQI-HNNXBMFYSA-N 1 0 287.407 1.827 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccccn2)cc1 ZINC000853096932 849979821 /nfs/dbraw/zinc/97/98/21/849979821.db2.gz QHRBEFQBUMLTLV-INIZCTEOSA-N 1 0 271.364 1.971 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000841063471 850107625 /nfs/dbraw/zinc/10/76/25/850107625.db2.gz KFRARMVDMCFVAP-SECBINFHSA-N 1 0 283.328 1.397 20 10 CDCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(N(C)C)cc1 ZINC000843123172 850109470 /nfs/dbraw/zinc/10/94/70/850109470.db2.gz IOYUNSHWNQWONE-OAHLLOKOSA-N 1 0 291.395 1.090 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[NH2+]C(C)C ZINC000851631927 850112470 /nfs/dbraw/zinc/11/24/70/850112470.db2.gz GQCLWTOLAZMILA-UHFFFAOYSA-N 1 0 263.385 1.675 20 10 CDCDRO O=C1CCCN1CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708454235 850134388 /nfs/dbraw/zinc/13/43/88/850134388.db2.gz NVAUMFDQYRDMCR-UHFFFAOYSA-N 1 0 270.279 1.382 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCNc1cnccn1 ZINC000877086377 850140047 /nfs/dbraw/zinc/14/00/47/850140047.db2.gz XIHYDSIRRDLJPY-UHFFFAOYSA-N 1 0 258.325 1.692 20 10 CDCDRO CC(C)[C@@H](C(=O)NCc1ccccc1O)[C@H](C)[NH3+] ZINC000399493192 850141450 /nfs/dbraw/zinc/14/14/50/850141450.db2.gz HJQRMHBVWILEEA-GXFFZTMASA-N 1 0 250.342 1.628 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH3+])CCCC2)c1 ZINC000843489462 850212724 /nfs/dbraw/zinc/21/27/24/850212724.db2.gz PHFALMNIVPVODU-JTQLQIEISA-N 1 0 278.352 1.850 20 10 CDCDRO C[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000120243018 850226121 /nfs/dbraw/zinc/22/61/21/850226121.db2.gz WQELNKCMRRKLNP-CYBMUJFWSA-N 1 0 251.282 1.390 20 10 CDCDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000711696905 850286321 /nfs/dbraw/zinc/28/63/21/850286321.db2.gz NWCULMIMYHDUBL-KCJUWKMLSA-N 1 0 289.784 1.568 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1C ZINC000835061362 850291593 /nfs/dbraw/zinc/29/15/93/850291593.db2.gz RWSCQMCDXJOFSW-HNNXBMFYSA-N 1 0 262.353 1.767 20 10 CDCDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854654197 850333460 /nfs/dbraw/zinc/33/34/60/850333460.db2.gz JKLVQQVVSKXKNL-HASJVIIQSA-N 1 0 290.363 1.662 20 10 CDCDRO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1c([O-])cccc1F ZINC000886599061 850407825 /nfs/dbraw/zinc/40/78/25/850407825.db2.gz PZMRQNQWLDHDCX-LLVKDONJSA-N 1 0 270.348 1.760 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCNC2=O)c1 ZINC000846843777 850423594 /nfs/dbraw/zinc/42/35/94/850423594.db2.gz HBPXTILCGFCXLC-QWRGUYRKSA-N 1 0 278.352 1.578 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccccc1O ZINC000817982539 850435894 /nfs/dbraw/zinc/43/58/94/850435894.db2.gz DZMQYRSDBGJOEE-DGCLKSJQSA-N 1 0 250.342 1.421 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000694514338 898481899 /nfs/dbraw/zinc/48/18/99/898481899.db2.gz GUFOFJXKSKBJGF-ZDUSSCGKSA-N 1 0 283.393 1.758 20 10 CDCDRO CN1CCOc2cc(CN3CCC[NH2+]CC3)ccc21 ZINC001204667980 901154993 /nfs/dbraw/zinc/15/49/93/901154993.db2.gz QVBAGCDSPDRXEG-UHFFFAOYSA-N 1 0 261.369 1.311 20 10 CDCDRO Cc1cc(Br)c(O)c(CN2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001236020971 914546331 /nfs/dbraw/zinc/54/63/31/914546331.db2.gz ALBLDYKNAQPYAD-ZWNOBZJWSA-N 1 0 297.196 1.996 20 10 CDCDRO CC(C)(C)c1cccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC001143103562 921258857 /nfs/dbraw/zinc/25/88/57/921258857.db2.gz FMSUWTHXNFHPPP-TZMCWYRMSA-N 1 0 279.380 1.475 20 10 CDCDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CO1 ZINC001172266219 911484337 /nfs/dbraw/zinc/48/43/37/911484337.db2.gz HYTPKGZNOMCXCG-ZWNOBZJWSA-N 1 0 267.325 1.288 20 10 CDCDRO CC1(C)C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CO1 ZINC001172271262 911488843 /nfs/dbraw/zinc/48/88/43/911488843.db2.gz KHFWJQQXAZBWQJ-LLVKDONJSA-N 1 0 251.326 1.797 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)ccc1N(C)C ZINC001139669571 936319765 /nfs/dbraw/zinc/31/97/65/936319765.db2.gz BEDUQKCRELTIOH-HIFRSBDPSA-N 1 0 266.360 1.966 20 10 CDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001206431652 916622605 /nfs/dbraw/zinc/62/26/05/916622605.db2.gz AKWJKLTZYJSSPE-IUCAKERBSA-N 1 0 274.723 1.622 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)C[C@@H]1O ZINC001237135578 917325337 /nfs/dbraw/zinc/32/53/37/917325337.db2.gz KBEZHMYQFZQQAI-SKDRFNHKSA-N 1 0 291.269 1.196 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000775130606 920584044 /nfs/dbraw/zinc/58/40/44/920584044.db2.gz MQBKHMUXZRLLCG-STQMWFEESA-N 1 0 283.368 1.457 20 10 CDCDRO C[C@@]1(O)COCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058066 936675237 /nfs/dbraw/zinc/67/52/37/936675237.db2.gz RPWLOBLAXMPUFO-ZDUSSCGKSA-N 1 0 255.289 1.115 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464174 936712819 /nfs/dbraw/zinc/71/28/19/936712819.db2.gz FHEGMTHKYFKPNZ-GFCCVEGCSA-N 1 0 268.744 1.756 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)COCC(=O)N3)c1 ZINC001140619445 936731825 /nfs/dbraw/zinc/73/18/25/936731825.db2.gz CYZMIZXZQSSHAQ-UHFFFAOYSA-N 1 0 290.363 1.182 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660450 936736547 /nfs/dbraw/zinc/73/65/47/936736547.db2.gz RXQNJDQWRURXNB-IUODEOHRSA-N 1 0 294.370 1.617 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001140742470 936748410 /nfs/dbraw/zinc/74/84/10/936748410.db2.gz PLEICSYOAADDQH-JQWIXIFHSA-N 1 0 255.289 1.311 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141030706 936794760 /nfs/dbraw/zinc/79/47/60/936794760.db2.gz HMSWFCQDMFAGOP-UHFFFAOYSA-N 1 0 283.324 1.404 20 10 CDCDRO COc1cc(O)c(C[N@@H+](C)CC(OC)OC)c(OC)c1 ZINC001141029428 936794944 /nfs/dbraw/zinc/79/49/44/936794944.db2.gz RHXBEMUPCZMBMH-UHFFFAOYSA-N 1 0 285.340 1.460 20 10 CDCDRO Oc1cccc(F)c1CN1CC([NH+]2CCCC2)C1 ZINC001137837507 922977458 /nfs/dbraw/zinc/97/74/58/922977458.db2.gz JOANBOKULUODJP-UHFFFAOYSA-N 1 0 250.317 1.811 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160001 936822080 /nfs/dbraw/zinc/82/20/80/936822080.db2.gz OWBGZWKVQLWPKD-LLVKDONJSA-N 1 0 278.352 1.398 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141139831 936818404 /nfs/dbraw/zinc/81/84/04/936818404.db2.gz CUGJMIKVIIYQRM-ZDUSSCGKSA-N 1 0 262.353 1.736 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](O)C3)ccc21 ZINC001141139063 936818614 /nfs/dbraw/zinc/81/86/14/936818614.db2.gz HPLRQMFRPVYLDM-ZDUSSCGKSA-N 1 0 262.353 1.472 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141139830 936819045 /nfs/dbraw/zinc/81/90/45/936819045.db2.gz CUGJMIKVIIYQRM-CYBMUJFWSA-N 1 0 262.353 1.736 20 10 CDCDRO C[N@H+](Cc1cc(O)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001141161304 936822876 /nfs/dbraw/zinc/82/28/76/936822876.db2.gz CYRVWOYMYRYEGL-LBPRGKRZSA-N 1 0 279.336 1.825 20 10 CDCDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236834 923555273 /nfs/dbraw/zinc/55/52/73/923555273.db2.gz RMIJBKNIJFIOKZ-SSDOTTSWSA-N 1 0 272.732 1.431 20 10 CDCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(O)c(O)cc2O)C1 ZINC001205842195 925439162 /nfs/dbraw/zinc/43/91/62/925439162.db2.gz NBKQPAKPDCQIID-MWLCHTKSSA-N 1 0 266.341 1.363 20 10 CDCDRO Cc1cc(C)c(CNC(=O)C[N@@H+](C)C(C)C)c(O)c1 ZINC001142590905 937037079 /nfs/dbraw/zinc/03/70/79/937037079.db2.gz UTWIIVZRFSXDGU-UHFFFAOYSA-N 1 0 264.369 1.965 20 10 CDCDRO Oc1ccc(CNc2cccnc2OC2C[NH2+]C2)cc1O ZINC001169997202 928910087 /nfs/dbraw/zinc/91/00/87/928910087.db2.gz VMOURCWMAGBWBY-UHFFFAOYSA-N 1 0 287.319 1.456 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H]([NH3+])CC(F)(F)C2)c1 ZINC001206117479 931714001 /nfs/dbraw/zinc/71/40/01/931714001.db2.gz PERSINODUPEASM-SNVBAGLBSA-N 1 0 272.295 1.569 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1O ZINC001144499418 931858065 /nfs/dbraw/zinc/85/80/65/931858065.db2.gz GGXJQNORFZEDTL-CABZTGNLSA-N 1 0 267.325 1.396 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@]1(C)O ZINC001144499429 931858437 /nfs/dbraw/zinc/85/84/37/931858437.db2.gz GJHXGDVBDFIGNS-MEBBXXQBSA-N 1 0 281.352 1.786 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c(O)c1 ZINC001144504516 931865615 /nfs/dbraw/zinc/86/56/15/931865615.db2.gz SLWSZDCMXYKAMZ-OAHLLOKOSA-N 1 0 279.336 1.948 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCc3ncccc3C2)c(O)c1 ZINC001144508983 931874253 /nfs/dbraw/zinc/87/42/53/931874253.db2.gz GHLLHWNGRFMXFP-UHFFFAOYSA-N 1 0 272.304 1.757 20 10 CDCDRO CC[NH+]1CCC(N(C)C(=O)c2cccc(O)c2O)CC1 ZINC000126339457 932209947 /nfs/dbraw/zinc/20/99/47/932209947.db2.gz UDNZYTWWEOPCKV-UHFFFAOYSA-N 1 0 278.352 1.654 20 10 CDCDRO CC[C@@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CC[NH2+]C1 ZINC001118196937 937601179 /nfs/dbraw/zinc/60/11/79/937601179.db2.gz GKAFLXZPXINMSQ-BDJLRTHQSA-N 1 0 292.379 1.968 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1Cl ZINC001276372311 935701497 /nfs/dbraw/zinc/70/14/97/935701497.db2.gz OVVXHVIGHPXBDF-ZFWWWQNUSA-N 1 0 296.798 1.869 20 10 CDCDRO Cc1cccc(CNc2ccc(N3CC[NH2+]CC3)nn2)c1O ZINC001160765024 938825817 /nfs/dbraw/zinc/82/58/17/938825817.db2.gz QMIBMNKMWCAWGL-UHFFFAOYSA-N 1 0 299.378 1.512 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)c1 ZINC001203621003 939697118 /nfs/dbraw/zinc/69/71/18/939697118.db2.gz MYPAGMQTSLQAHH-STQMWFEESA-N 1 0 269.316 1.696 20 10 CDCDRO 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VPYJOSGBOPFBMM-GFCCVEGCSA-N 1 0 294.351 1.246 20 10 CDCDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233486735 943595779 /nfs/dbraw/zinc/59/57/79/943595779.db2.gz ZPLZXHGRURHPMJ-ZDUSSCGKSA-N 1 0 267.325 1.539 20 10 CDCDRO OCC1C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233760616 943652236 /nfs/dbraw/zinc/65/22/36/943652236.db2.gz JBVZEFSAWDDNCB-UHFFFAOYSA-N 1 0 277.242 1.715 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235175258 944080434 /nfs/dbraw/zinc/08/04/34/944080434.db2.gz ZJPIJMOUBXPISR-IINYFYTJSA-N 1 0 282.771 1.977 20 10 CDCDRO COc1ccc2ccc(O)c(CN3C[C@H]4C[NH2+]C[C@H]43)c2c1 ZINC001236292240 944451148 /nfs/dbraw/zinc/45/11/48/944451148.db2.gz MYNZHEAPIZGRGZ-MLGOLLRUSA-N 1 0 284.359 1.958 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CO)C2)c(Cl)c1 ZINC001236799753 944573110 /nfs/dbraw/zinc/57/31/10/944573110.db2.gz PXIHSGVBCXGRAF-VIFPVBQESA-N 1 0 271.744 1.868 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC001236807195 944573915 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946924429 /nfs/dbraw/zinc/92/44/29/946924429.db2.gz RLNKKPFSOOMBQD-ABAIWWIYSA-N 1 0 260.337 1.459 20 10 CDCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)c1ccccc1O ZINC001256324331 948272867 /nfs/dbraw/zinc/27/28/67/948272867.db2.gz RJFWAFYESHDONJ-OLZOCXBDSA-N 1 0 292.379 1.680 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC001249177851 949440993 /nfs/dbraw/zinc/44/09/93/949440993.db2.gz KJVSBGSUIZANOU-HNNXBMFYSA-N 1 0 279.336 1.064 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)c(O)c1 ZINC001251238728 950672216 /nfs/dbraw/zinc/67/22/16/950672216.db2.gz AWUQMCXMMMGIOM-CQSZACIVSA-N 1 0 289.331 1.627 20 10 CDCDRO CCOC[C@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252034340 951080328 /nfs/dbraw/zinc/08/03/28/951080328.db2.gz OUCVNYHWCDGONQ-OAHLLOKOSA-N 1 0 266.385 1.582 20 10 CDCDRO C[C@H](NC(=O)NCCCC[NH3+])c1ccc(N(C)C)cc1 ZINC001325366679 953865177 /nfs/dbraw/zinc/86/51/77/953865177.db2.gz NYLSBJMGCITYEX-LBPRGKRZSA-N 1 0 278.400 1.852 20 10 CDCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)[C@@H]1CCOC1 ZINC001308353063 956522250 /nfs/dbraw/zinc/52/22/50/956522250.db2.gz CXXSJHGPGNGRIM-UKRRQHHQSA-N 1 0 288.391 1.974 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CCO)CSC)c1O ZINC001331534321 957124041 /nfs/dbraw/zinc/12/40/41/957124041.db2.gz UBYUODUPKZKATO-GFCCVEGCSA-N 1 0 285.409 1.913 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)C2CC2)c1O ZINC001331552940 957133302 /nfs/dbraw/zinc/13/33/02/957133302.db2.gz LJYZBSQUJPJYKA-HNNXBMFYSA-N 1 0 265.353 1.960 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccnc(N)c2)cc1 ZINC001332047223 957414523 /nfs/dbraw/zinc/41/45/23/957414523.db2.gz HXBULQSWVHGYAN-CQSZACIVSA-N 1 0 299.378 1.160 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC001336238092 960265354 /nfs/dbraw/zinc/26/53/54/960265354.db2.gz BABXUURDQSPTHW-AWEZNQCLSA-N 1 0 276.384 1.586 20 10 CDCDRO C[NH+]1CCC(C)(CNC(=O)NCc2ccc(N)cc2)CC1 ZINC001336290873 960290434 /nfs/dbraw/zinc/29/04/34/960290434.db2.gz VMODJPLIBZCNBL-UHFFFAOYSA-N 1 0 290.411 1.800 20 10 CDCDRO C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC001346739307 965235301 /nfs/dbraw/zinc/23/53/01/965235301.db2.gz PNAAPYQCPLXCQP-DGCLKSJQSA-N 1 0 276.384 1.395 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)cc1C ZINC001348492951 966021567 /nfs/dbraw/zinc/02/15/67/966021567.db2.gz NDGNBHHHPWZWEO-HUUCEWRRSA-N 1 0 292.379 1.169 20 10 CDCDRO Nc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC001356083334 969328481 /nfs/dbraw/zinc/32/84/81/969328481.db2.gz NLRFTEKLSCQBAO-JSGCOSHPSA-N 1 0 250.342 1.146 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)c1ccccc1O ZINC001576900834 1171553681 /nfs/dbraw/zinc/55/36/81/1171553681.db2.gz XDKPOMFSHCQPMQ-GIPNMCIBSA-N 1 0 278.352 1.682 20 10 CDCDRO COc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC000070075173 1171640767 /nfs/dbraw/zinc/64/07/67/1171640767.db2.gz UZXCVFTVUSGHST-PHIMTYICSA-N 1 0 250.342 1.583 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[NH2+]C1 ZINC000178863208 342532809 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199128822 /nfs/dbraw/zinc/12/88/22/199128822.db2.gz BANKEVMDARHYSO-LLVKDONJSA-N 1 0 283.368 1.908 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000192104554 358175390 /nfs/dbraw/zinc/17/53/90/358175390.db2.gz NAJNSQABSQZCKM-RYUDHWBXSA-N 1 0 275.396 1.669 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1O ZINC000019899959 358213849 /nfs/dbraw/zinc/21/38/49/358213849.db2.gz WSWOPARICKAGQD-NSHDSACASA-N 1 0 285.365 1.068 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cccc(OC)c1O ZINC000091986615 358534525 /nfs/dbraw/zinc/53/45/25/358534525.db2.gz DOMKLDNAZRUVPZ-SNVBAGLBSA-N 1 0 267.325 1.642 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H](O)C2)c1O ZINC000294923744 199251479 /nfs/dbraw/zinc/25/14/79/199251479.db2.gz YXEMGDWDURAIDV-GFCCVEGCSA-N 1 0 271.744 1.547 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179894910 365001110 /nfs/dbraw/zinc/00/11/10/365001110.db2.gz HAZXBPBRBLBXFQ-UHFFFAOYSA-N 1 0 266.316 1.489 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)CNC2=O)c(O)c1C ZINC000273710897 365518275 /nfs/dbraw/zinc/51/82/75/365518275.db2.gz KOZKTRKWHUJMKM-NSHDSACASA-N 1 0 291.351 1.211 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000273689852 365518801 /nfs/dbraw/zinc/51/88/01/365518801.db2.gz BFHNILCTSUDXHF-AWEZNQCLSA-N 1 0 289.379 1.737 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)cc1C ZINC000282728638 368011031 /nfs/dbraw/zinc/01/10/31/368011031.db2.gz QUMJMVNNVFNUBA-NSHDSACASA-N 1 0 268.332 1.567 20 10 CDCDRO CN1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000638117844 368499942 /nfs/dbraw/zinc/49/99/42/368499942.db2.gz PEDMLDUXBNXXIR-CYBMUJFWSA-N 1 0 271.364 1.907 20 10 CDCDRO COc1ccc(N2CCCN([C@H]3CCOC3=O)CC2)cc1 ZINC000363213433 369135838 /nfs/dbraw/zinc/13/58/38/369135838.db2.gz UYXRQMOVMGTJHM-HNNXBMFYSA-N 1 0 290.363 1.523 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000163297882 377531058 /nfs/dbraw/zinc/53/10/58/377531058.db2.gz YCCPZARVMXMIJQ-QWRGUYRKSA-N 1 0 251.326 1.915 20 10 CDCDRO COCC[N@H+](CCO)Cc1cc(C)c(C)cc1O ZINC000093005763 390898924 /nfs/dbraw/zinc/89/89/24/390898924.db2.gz DZOVHHKQYXSEDJ-UHFFFAOYSA-N 1 0 253.342 1.450 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@]1(O)CCSC1)CC2 ZINC000297744373 285396833 /nfs/dbraw/zinc/39/68/33/285396833.db2.gz OCYMIBHSDSEVEN-SMDDNHRTSA-N 1 0 265.378 1.837 20 10 CDCDRO CC[C@H](C(=O)NCc1ccc(O)c(O)c1)[NH+](C)C ZINC000182513793 391236589 /nfs/dbraw/zinc/23/65/89/391236589.db2.gz MQWJGIGGQHHRJY-SNVBAGLBSA-N 1 0 252.314 1.054 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000375957540 391208484 /nfs/dbraw/zinc/20/84/84/391208484.db2.gz LUMJARIYMBKUEM-QGZVFWFLSA-N 1 0 295.386 1.815 20 10 CDCDRO COc1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1C ZINC000228722743 393234988 /nfs/dbraw/zinc/23/49/88/393234988.db2.gz CWTJIZKNASKZOP-OAHLLOKOSA-N 1 0 266.385 1.406 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1ccccc1O ZINC000530227801 328718234 /nfs/dbraw/zinc/71/82/34/328718234.db2.gz VWEMXEUIVAHANG-WCQYABFASA-N 1 0 250.342 1.421 20 10 CDCDRO O=C1NCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363243 173152278 /nfs/dbraw/zinc/15/22/78/173152278.db2.gz VMLJXUCBCVIKFZ-CYBMUJFWSA-N 1 0 260.337 1.380 20 10 CDCDRO CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccccc1O ZINC000038047108 174057362 /nfs/dbraw/zinc/05/73/62/174057362.db2.gz FWLPMGPAPIFRDQ-GFCCVEGCSA-N 1 0 271.382 1.868 20 10 CDCDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166462416 261389535 /nfs/dbraw/zinc/38/95/35/261389535.db2.gz UPOAUVRIHDGFCE-GFCCVEGCSA-N 1 0 299.415 1.588 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCSC2)c1 ZINC000185638638 262063507 /nfs/dbraw/zinc/06/35/07/262063507.db2.gz KOMBBFOKVMFHOA-IINYFYTJSA-N 1 0 283.393 1.919 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000186177501 262083007 /nfs/dbraw/zinc/08/30/07/262083007.db2.gz QZFPMJNHPZFZAQ-NOZJJQNGSA-N 1 0 271.744 1.848 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(F)ccc1O ZINC000186178727 262083523 /nfs/dbraw/zinc/08/35/23/262083523.db2.gz WKWJYJPCVAVJCC-ZANVPECISA-N 1 0 255.289 1.333 20 10 CDCDRO CN1CCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)C1=O ZINC000370082140 267288984 /nfs/dbraw/zinc/28/89/84/267288984.db2.gz LSXVXPJVVYAQFO-UHFFFAOYSA-N 1 0 292.354 1.976 20 10 CDCDRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccccc1O ZINC000271150628 328195432 /nfs/dbraw/zinc/19/54/32/328195432.db2.gz UTQFPBXROGAOIV-CYBMUJFWSA-N 1 0 292.379 1.319 20 10 CDCDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000280898840 327595026 /nfs/dbraw/zinc/59/50/26/327595026.db2.gz FQKOHELTOZXLAD-JTQLQIEISA-N 1 0 269.366 1.620 20 10 CDCDRO COc1cccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000219806562 333157353 /nfs/dbraw/zinc/15/73/53/333157353.db2.gz GWIZOQWLXMSAHL-WCQYABFASA-N 1 0 262.353 1.585 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000228356626 1161399429 /nfs/dbraw/zinc/39/94/29/1161399429.db2.gz XUVYCXFYCHLEQT-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000279851724 519553496 /nfs/dbraw/zinc/55/34/96/519553496.db2.gz RWDQKTVOARTJFZ-CYBMUJFWSA-N 1 0 262.353 1.740 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280315870 521150608 /nfs/dbraw/zinc/15/06/08/521150608.db2.gz OVFQZDCUUMITDZ-OCCSQVGLSA-N 1 0 295.379 1.526 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C[NH2+]C ZINC000236732558 521689245 /nfs/dbraw/zinc/68/92/45/521689245.db2.gz PZMGAGITEGWBRV-LBPRGKRZSA-N 1 0 264.369 1.986 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000299492062 522203581 /nfs/dbraw/zinc/20/35/81/522203581.db2.gz GHSDICXUIBCEEC-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccccc1O ZINC000274878211 522628641 /nfs/dbraw/zinc/62/86/41/522628641.db2.gz HANRRHPEPQRAKC-ZFWWWQNUSA-N 1 0 275.352 1.900 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000272612782 522933089 /nfs/dbraw/zinc/93/30/89/522933089.db2.gz KQPFUDIDIVSZEU-UHFFFAOYSA-N 1 0 297.326 1.733 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000289744200 523593380 /nfs/dbraw/zinc/59/33/80/523593380.db2.gz VZDKFFYQPKITTE-STQMWFEESA-N 1 0 262.353 1.739 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000081901613 524608952 /nfs/dbraw/zinc/60/89/52/524608952.db2.gz WJXAUZNSWVLDRW-GFCCVEGCSA-N 1 0 296.436 1.592 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000364972799 524747323 /nfs/dbraw/zinc/74/73/23/524747323.db2.gz LMVKYLSWDGQPGL-PSOPSSQASA-N 1 0 290.363 1.487 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000281010302 524752858 /nfs/dbraw/zinc/75/28/58/524752858.db2.gz YMEILJIZRUDXHW-DGCLKSJQSA-N 1 0 281.352 1.135 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCOC2)O1 ZINC000280241851 524987230 /nfs/dbraw/zinc/98/72/30/524987230.db2.gz KOHNFGLNHMOOSU-IAQYHMDHSA-N 1 0 281.327 1.911 20 10 CDCDRO C[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000093341194 1174437545 /nfs/dbraw/zinc/43/75/45/1174437545.db2.gz KVOBGVINDXVSAS-OAHLLOKOSA-N 1 0 279.336 1.715 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2COCCO2)c(O)c1 ZINC000725846572 574443969 /nfs/dbraw/zinc/44/39/69/574443969.db2.gz IBTBFPSGAXQIIT-ZDUSSCGKSA-N 1 0 267.325 1.296 20 10 CDCDRO COc1cccc(CNC(=O)CCCC[NH+](C)C)c1O ZINC000729858806 574825329 /nfs/dbraw/zinc/82/53/29/574825329.db2.gz CMMJRTKWVRTJSU-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO CN(CC1CC[NH+](C)CC1)C(=O)C1=CC(=O)CS1 ZINC000732287365 575087201 /nfs/dbraw/zinc/08/72/01/575087201.db2.gz VOYJXHRQQFLIIU-UHFFFAOYSA-N 1 0 268.382 1.868 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCOCC2)cc1F ZINC000733327227 575114759 /nfs/dbraw/zinc/11/47/59/575114759.db2.gz QCBUYYZDJNEUSH-UHFFFAOYSA-N 1 0 282.359 1.523 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC000769541640 575358652 /nfs/dbraw/zinc/35/86/52/575358652.db2.gz FBEQQDXINLGANC-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO Cn1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000771828555 575622238 /nfs/dbraw/zinc/62/22/38/575622238.db2.gz YZWXKUOPWCAFMS-UHFFFAOYSA-N 1 0 285.395 1.784 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000768336311 576272214 /nfs/dbraw/zinc/27/22/14/576272214.db2.gz ACZZCOHBYBBITO-CQSZACIVSA-N 1 0 292.379 1.891 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](C)CN2CCOCC2)cc1C ZINC000742367487 576597924 /nfs/dbraw/zinc/59/79/24/576597924.db2.gz WWXKRSQZTJAZLS-CQSZACIVSA-N 1 0 278.396 1.819 20 10 CDCDRO C[N@@H+]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743719612 576652517 /nfs/dbraw/zinc/65/25/17/576652517.db2.gz KYUCWHUHKJBQCH-ZDUSSCGKSA-N 1 0 288.391 1.839 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000762790186 576672762 /nfs/dbraw/zinc/67/27/62/576672762.db2.gz XZZJBQCTCSUADW-SJORKVTESA-N 1 0 291.439 1.860 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(C)(CO)CC1 ZINC000762790837 576672849 /nfs/dbraw/zinc/67/28/49/576672849.db2.gz JLSTWITZOIPXEX-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1CN(C)CCO1 ZINC000756758610 577003305 /nfs/dbraw/zinc/00/33/05/577003305.db2.gz INGXQHLLDKCYRM-RWSFTLGLSA-N 1 0 282.359 1.901 20 10 CDCDRO CC[C@@H](O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893161958 617421844 /nfs/dbraw/zinc/42/18/44/617421844.db2.gz ZXEMKCBFAOJCBP-LLVKDONJSA-N 1 0 269.341 1.660 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000892038951 617434350 /nfs/dbraw/zinc/43/43/50/617434350.db2.gz LQCORIAASRPTIQ-OAHLLOKOSA-N 1 0 290.411 1.724 20 10 CDCDRO C[C@@]1(CNC(=O)N2Cc3cccc(O)c3C2)CCC[NH2+]C1 ZINC000892057912 617452069 /nfs/dbraw/zinc/45/20/69/617452069.db2.gz RYDYHGPZBJSDFJ-MRXNPFEDSA-N 1 0 289.379 1.807 20 10 CDCDRO COc1ccc(CN2CC[NH+](C(C)C)CC2)c(O)c1OC ZINC000891572925 617484271 /nfs/dbraw/zinc/48/42/71/617484271.db2.gz IGBODSGCODOYES-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891588486 617492669 /nfs/dbraw/zinc/49/26/69/617492669.db2.gz CYBSZLBBYPWSDP-HOCLYGCPSA-N 1 0 298.390 1.319 20 10 CDCDRO O=C(NCC12CC(C1)C[NH2+]2)N1Cc2cccc(O)c2C1 ZINC000892263105 617598892 /nfs/dbraw/zinc/59/88/92/617598892.db2.gz YTYYZWDRAMBXRT-UHFFFAOYSA-N 1 0 273.336 1.169 20 10 CDCDRO C[C@H](NC(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000891980554 617932367 /nfs/dbraw/zinc/93/23/67/617932367.db2.gz FTQGLLXYUQZBIH-NWDGAFQWSA-N 1 0 289.379 1.806 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709086 617990440 /nfs/dbraw/zinc/99/04/40/617990440.db2.gz APTNYPHHFZGXPR-CYBMUJFWSA-N 1 0 290.411 1.823 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000893966610 618227238 /nfs/dbraw/zinc/22/72/38/618227238.db2.gz QVKPKBXYVOQSKI-LBPRGKRZSA-N 1 0 278.352 1.420 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CC(C)(C)O)c1O ZINC000894027519 618264609 /nfs/dbraw/zinc/26/46/09/618264609.db2.gz RFQMVAPSDGDXMW-UHFFFAOYSA-N 1 0 253.342 1.912 20 10 CDCDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817889794 618484014 /nfs/dbraw/zinc/48/40/14/618484014.db2.gz VXPHQMWPHMWNCM-CABCVRRESA-N 1 0 293.386 1.632 20 10 CDCDRO COC[C@@]1(CNCc2ccccc2O)CCC[NH2+]1 ZINC000841067915 618680519 /nfs/dbraw/zinc/68/05/19/618680519.db2.gz QOJZIFJOYXMYAY-AWEZNQCLSA-N 1 0 250.342 1.250 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057110 618691288 /nfs/dbraw/zinc/69/12/88/618691288.db2.gz BEYFKKPAIHRKSQ-UWVGGRQHSA-N 1 0 295.339 1.478 20 10 CDCDRO CCOc1ccc(O)c(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843057905 618691741 /nfs/dbraw/zinc/69/17/41/618691741.db2.gz NVMDRHHQUABDDK-NHYWBVRUSA-N 1 0 280.368 1.339 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000877780551 618707180 /nfs/dbraw/zinc/70/71/80/618707180.db2.gz URCMCSUNSQEISP-GFCCVEGCSA-N 1 0 253.367 1.610 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CC2CC(O)C2)c1O ZINC000894534695 618946503 /nfs/dbraw/zinc/94/65/03/618946503.db2.gz UAIZGSJMLJSCCA-UHFFFAOYSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@]2(CCO)CCOC2)c1O ZINC000894575799 618971660 /nfs/dbraw/zinc/97/16/60/618971660.db2.gz KYVAVSMLIWCSPQ-HNNXBMFYSA-N 1 0 281.352 1.340 20 10 CDCDRO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1O ZINC000895118859 619311222 /nfs/dbraw/zinc/31/12/22/619311222.db2.gz QMJMVCVDITVSMJ-GRYCIOLGSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](OC)C2)c1O ZINC000895414459 619648820 /nfs/dbraw/zinc/64/88/20/619648820.db2.gz MWFCLNOOIJIZGC-HAQNSBGRSA-N 1 0 251.326 1.976 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1O ZINC000841746212 620867502 /nfs/dbraw/zinc/86/75/02/620867502.db2.gz DCPXFLGVGNIXQX-WCBMZHEXSA-N 1 0 268.744 1.927 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c(O)c1OC ZINC000897676707 621063328 /nfs/dbraw/zinc/06/33/28/621063328.db2.gz WKHDICZDABVODS-MWLCHTKSSA-N 1 0 267.325 1.222 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000897679709 621066786 /nfs/dbraw/zinc/06/67/86/621066786.db2.gz KXKHNTXPXOHPPS-LDYMZIIASA-N 1 0 282.296 1.122 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2COCC[C@H]2OC)c(O)c1 ZINC000897891739 621196636 /nfs/dbraw/zinc/19/66/36/621196636.db2.gz NZLHHUPXUVBPME-UKRRQHHQSA-N 1 0 281.352 1.684 20 10 CDCDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnc[nH]2)N(C)C)cc1 ZINC000898447173 621744886 /nfs/dbraw/zinc/74/48/86/621744886.db2.gz GCCLPBHKAIIKMD-MRXNPFEDSA-N 1 0 287.411 1.868 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3cncnc3)cc2)CC1 ZINC000902157288 624496378 /nfs/dbraw/zinc/49/63/78/624496378.db2.gz MOFCDIJSBZFPAF-UHFFFAOYSA-N 1 0 283.379 1.841 20 10 CDCDRO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1F ZINC000841087306 628434879 /nfs/dbraw/zinc/43/48/79/628434879.db2.gz UHSUHPCTTHZSAG-ZDUSSCGKSA-N 1 0 281.375 1.360 20 10 CDCDRO Nc1ccc(NC(=O)CCSCCC[NH3+])cc1 ZINC000911659869 629380491 /nfs/dbraw/zinc/38/04/91/629380491.db2.gz GEEUCPDLXKVTBX-UHFFFAOYSA-N 1 0 253.371 1.679 20 10 CDCDRO c1nnc(CC[NH2+]Cc2ccc3c(c2)CCCO3)[nH]1 ZINC000921822652 633322795 /nfs/dbraw/zinc/32/27/95/633322795.db2.gz VNNXLJSMVLAGTE-UHFFFAOYSA-N 1 0 258.325 1.462 20 10 CDCDRO COc1cc(O)c(CN2CC[C@](C)([NH3+])C2)c(OC)c1 ZINC001204784352 1160340560 /nfs/dbraw/zinc/34/05/60/1160340560.db2.gz ZMHRSEBRFIMGAR-AWEZNQCLSA-N 1 0 266.341 1.333 20 10 CDCDRO C[C@H]([NH2+]Cc1cncc(-c2nn[nH]n2)c1)c1ccccc1O ZINC001605440370 1163566342 /nfs/dbraw/zinc/56/63/42/1163566342.db2.gz HBGRVHZFGLILMA-JTQLQIEISA-N 1 0 296.334 1.818 20 10 CDCDRO [NH3+]CC1(C(=O)NCc2c(O)cccc2O)CCCC1 ZINC001574270887 1170936987 /nfs/dbraw/zinc/93/69/87/1170936987.db2.gz YSECYSSPYSXMQT-UHFFFAOYSA-N 1 0 264.325 1.233 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000071269470 1171713342 /nfs/dbraw/zinc/71/33/42/1171713342.db2.gz WCGWGEGZYBTUGD-OAHLLOKOSA-N 1 0 264.369 1.384 20 10 CDCDRO CN(C)c1cc(F)c(CN(C)[C@@H]2CC[NH2+]C2)cc1F ZINC001578422830 1171905495 /nfs/dbraw/zinc/90/54/95/1171905495.db2.gz IBFKEOXCMVUZIT-LLVKDONJSA-N 1 0 269.339 1.825 20 10 CDCDRO COC(=O)C1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC000159236207 1178238110 /nfs/dbraw/zinc/23/81/10/1178238110.db2.gz QHWBGTIPIQOMAC-UHFFFAOYSA-N 1 0 279.336 1.786 20 10 CDCDRO Oc1cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000236551031 1178323155 /nfs/dbraw/zinc/32/31/55/1178323155.db2.gz XEXMXSXSJSMLFH-MRVPVSSYSA-N 1 0 251.204 1.111 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000090074940 710682588 /nfs/dbraw/zinc/68/25/88/710682588.db2.gz ODLXTGBPYOOFBQ-BXUZGUMPSA-N 1 0 261.369 1.634 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1OC ZINC000891393796 710759401 /nfs/dbraw/zinc/75/94/01/710759401.db2.gz RCCLWQHUAYKYQI-LLVKDONJSA-N 1 0 281.352 1.614 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(CO)(CO)CC2)c1 ZINC000877797461 710825511 /nfs/dbraw/zinc/82/55/11/710825511.db2.gz JPEFFIAMNHIHSY-UHFFFAOYSA-N 1 0 265.353 1.267 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000877614654 705337028 /nfs/dbraw/zinc/33/70/28/705337028.db2.gz KTCFGKCLXBQCQY-HNNXBMFYSA-N 1 0 265.353 1.722 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccon2)c1 ZINC000775372642 705339656 /nfs/dbraw/zinc/33/96/56/705339656.db2.gz DYVDVLMHTYPDRH-SECBINFHSA-N 1 0 291.307 1.678 20 10 CDCDRO C[C@@H]1C[C@H](O)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862338983 705353737 /nfs/dbraw/zinc/35/37/37/705353737.db2.gz JASKDNILILZIFG-KOLCDFICSA-N 1 0 270.323 1.986 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1C ZINC000817412304 705393099 /nfs/dbraw/zinc/39/30/99/705393099.db2.gz IOEHEQHSINSJSZ-AWEZNQCLSA-N 1 0 279.380 1.981 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000722782741 705438664 /nfs/dbraw/zinc/43/86/64/705438664.db2.gz HBARGVUWEWXFPH-UHFFFAOYSA-N 1 0 259.353 1.118 20 10 CDCDRO COc1ccc(CNC(=O)C2([NH3+])CCCCC2)c(O)c1 ZINC000843499740 705465095 /nfs/dbraw/zinc/46/50/95/705465095.db2.gz MWVWJXMQJJQDAV-UHFFFAOYSA-N 1 0 278.352 1.679 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])CC3CC3)ccc21 ZINC000884205067 705493977 /nfs/dbraw/zinc/49/39/77/705493977.db2.gz LKYPMGQABXEVIK-HNNXBMFYSA-N 1 0 287.407 1.813 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH3+])CCC2)c1 ZINC000841967574 705516282 /nfs/dbraw/zinc/51/62/82/705516282.db2.gz VGGYKLAMZDMPRP-SNVBAGLBSA-N 1 0 293.367 1.642 20 10 CDCDRO CCN1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000722356436 705526655 /nfs/dbraw/zinc/52/66/55/705526655.db2.gz PPGMXVSZTYNZIS-CHWSQXEVSA-N 1 0 274.364 1.980 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CN(C(C)=O)C[C@@H]2C)cc1C ZINC001054305897 705551940 /nfs/dbraw/zinc/55/19/40/705551940.db2.gz PQLKWRXRNJEORN-WFASDCNBSA-N 1 0 276.380 1.960 20 10 CDCDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(F)ccc1O ZINC000817981284 705559258 /nfs/dbraw/zinc/55/92/58/705559258.db2.gz IKLSAESWJCZRQO-JQWIXIFHSA-N 1 0 268.332 1.560 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000846168311 705671276 /nfs/dbraw/zinc/67/12/76/705671276.db2.gz RYIVIIWDWSDJKM-UWVGGRQHSA-N 1 0 284.331 1.526 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841062437 705688659 /nfs/dbraw/zinc/68/86/59/705688659.db2.gz WRYRXSNPXUPRJQ-PWSUYJOCSA-N 1 0 250.342 1.631 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCC(O)(CO)CC2)cc1C ZINC000827146889 705762404 /nfs/dbraw/zinc/76/24/04/705762404.db2.gz KOZJAUZYPFACLG-UHFFFAOYSA-N 1 0 265.353 1.328 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c1O ZINC000886228990 705770439 /nfs/dbraw/zinc/77/04/39/705770439.db2.gz JERBQJNHKNTBGZ-CHWSQXEVSA-N 1 0 281.352 1.420 20 10 CDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000824708928 705834164 /nfs/dbraw/zinc/83/41/64/705834164.db2.gz LJIZBGPVLVVOQP-IINYFYTJSA-N 1 0 269.316 1.672 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC000783722416 705883161 /nfs/dbraw/zinc/88/31/61/705883161.db2.gz COJCPVUGKBZRTN-UHFFFAOYSA-N 1 0 289.379 1.827 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1 ZINC000815108529 705890007 /nfs/dbraw/zinc/89/00/07/705890007.db2.gz YXZQBGLJRWGSMQ-DOMZBBRYSA-N 1 0 275.396 1.757 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN(C[C@@H](C)O)C[C@H]2C)c1O ZINC000848907890 706051313 /nfs/dbraw/zinc/05/13/13/706051313.db2.gz KGSGNHUQWFKLPY-ZIAGYGMSSA-N 1 0 292.423 1.842 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)c(O)c1 ZINC000877092864 706062018 /nfs/dbraw/zinc/06/20/18/706062018.db2.gz MEYLTAZDDVSXIK-GXTWGEPZSA-N 1 0 265.353 1.984 20 10 CDCDRO CCCC[C@H](C[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841956116 706068494 /nfs/dbraw/zinc/06/84/94/706068494.db2.gz VOFLZKKQLRHMOJ-CQSZACIVSA-N 1 0 278.400 1.628 20 10 CDCDRO CCc1cccc(C[N@H+](C)CC(=O)NC2CC2)c1O ZINC000848879934 706082751 /nfs/dbraw/zinc/08/27/51/706082751.db2.gz HQUPTTJZJKQKNK-UHFFFAOYSA-N 1 0 262.353 1.665 20 10 CDCDRO CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000794649466 706143842 /nfs/dbraw/zinc/14/38/42/706143842.db2.gz LHUMMPAFXKWLFS-ZBFHGGJFSA-N 1 0 293.363 1.819 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000858547005 706178020 /nfs/dbraw/zinc/17/80/20/706178020.db2.gz CERSSNKNQHFJGE-OCCSQVGLSA-N 1 0 282.359 1.639 20 10 CDCDRO C[S@@](=O)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000116918240 706227333 /nfs/dbraw/zinc/22/73/33/706227333.db2.gz HTNWMTKMNMWEDA-KRWDZBQOSA-N 1 0 253.367 1.480 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1O ZINC000126674284 706239641 /nfs/dbraw/zinc/23/96/41/706239641.db2.gz BLSZRVKAFXBMDF-GFCCVEGCSA-N 1 0 299.392 1.458 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1C ZINC000839195621 709505090 /nfs/dbraw/zinc/50/50/90/709505090.db2.gz LVLGOTSTMZFZDY-ZDUSSCGKSA-N 1 0 262.353 1.619 20 10 CDCDRO COc1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)c(O)c1 ZINC000841937611 709665464 /nfs/dbraw/zinc/66/54/64/709665464.db2.gz ANHXNMMDRHIPJL-LLVKDONJSA-N 1 0 293.367 1.200 20 10 CDCDRO COC1(CO)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000775204858 709804526 /nfs/dbraw/zinc/80/45/26/709804526.db2.gz RZWHJMJOXRNARD-UHFFFAOYSA-N 1 0 269.316 1.505 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843362685 709825765 /nfs/dbraw/zinc/82/57/65/709825765.db2.gz NPFXUSHNUFQARO-MWLCHTKSSA-N 1 0 280.343 1.903 20 10 CDCDRO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+](C)C ZINC000845237597 709865094 /nfs/dbraw/zinc/86/50/94/709865094.db2.gz CJCKODPVOXTTNH-VIFPVBQESA-N 1 0 285.775 1.795 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c1 ZINC000249487165 709865569 /nfs/dbraw/zinc/86/55/69/709865569.db2.gz UOFFQJCDZAOOTM-WCQYABFASA-N 1 0 251.326 1.282 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000841955929 709870794 /nfs/dbraw/zinc/87/07/94/709870794.db2.gz RMTPCQUSULSNKK-ZIAGYGMSSA-N 1 0 276.384 1.380 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1cc(OC)ccc1O ZINC000114541508 709874040 /nfs/dbraw/zinc/87/40/40/709874040.db2.gz WASKBKOSFNXWQE-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997386 709936497 /nfs/dbraw/zinc/93/64/97/709936497.db2.gz ZEUAPHFIOHKQLY-CQSZACIVSA-N 1 0 293.363 1.415 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(C)=O)C2)cc1C ZINC001026629853 709969160 /nfs/dbraw/zinc/96/91/60/709969160.db2.gz DRGIZDSUWBZMFA-HNNXBMFYSA-N 1 0 276.380 1.962 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000816660978 710003870 /nfs/dbraw/zinc/00/38/70/710003870.db2.gz XCMRSJXAPRPESB-LBPRGKRZSA-N 1 0 278.352 1.647 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC000799950018 710021498 /nfs/dbraw/zinc/02/14/98/710021498.db2.gz BLHPLFHVDLLBDK-CYBMUJFWSA-N 1 0 283.393 1.628 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c(O)c1 ZINC000877021589 710045468 /nfs/dbraw/zinc/04/54/68/710045468.db2.gz GRVQEPWCIOAOKF-CABCVRRESA-N 1 0 276.380 1.653 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877607395 710109225 /nfs/dbraw/zinc/10/92/25/710109225.db2.gz AFBYTGAUMAIYEL-OLZOCXBDSA-N 1 0 279.336 1.056 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000843489697 710134405 /nfs/dbraw/zinc/13/44/05/710134405.db2.gz RZQJCSVXCUMTEP-ZWNOBZJWSA-N 1 0 278.352 1.720 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468105 710135866 /nfs/dbraw/zinc/13/58/66/710135866.db2.gz YWGAZKSACHRSNX-CXAGYDPISA-N 1 0 290.407 1.603 20 10 CDCDRO C[C@H](NC(=O)NCC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841881656 710139593 /nfs/dbraw/zinc/13/95/93/710139593.db2.gz BGPUIJFGYVVHKF-NSHDSACASA-N 1 0 276.384 1.332 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c1 ZINC000704339055 710171779 /nfs/dbraw/zinc/17/17/79/710171779.db2.gz IHGIBBXIFDQHJI-YPMHNXCESA-N 1 0 262.353 1.972 20 10 CDCDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000394031822 710217015 /nfs/dbraw/zinc/21/70/15/710217015.db2.gz LEXDZJOXPRWJQS-LLVKDONJSA-N 1 0 267.325 1.475 20 10 CDCDRO NC(=O)[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000160305212 710227559 /nfs/dbraw/zinc/22/75/59/710227559.db2.gz YLAJXQDCLYEGEM-SNVBAGLBSA-N 1 0 299.168 1.604 20 10 CDCDRO [NH3+]C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC12CCOCC2 ZINC000843124407 710244006 /nfs/dbraw/zinc/24/40/06/710244006.db2.gz AJLNRKVBUNQHLY-ZDUSSCGKSA-N 1 0 294.370 1.719 20 10 CDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004324 710263951 /nfs/dbraw/zinc/26/39/51/710263951.db2.gz FFCVNCJGBRQLSD-CZUORRHYSA-N 1 0 287.407 1.901 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000846107489 710266758 /nfs/dbraw/zinc/26/67/58/710266758.db2.gz JHFDWFQTCZWYRV-LRDDRELGSA-N 1 0 295.379 1.983 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000851654550 710273245 /nfs/dbraw/zinc/27/32/45/710273245.db2.gz DSPIWPPBPCOHRX-UHFFFAOYSA-N 1 0 278.400 1.631 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H](CO)CC(F)F ZINC000883104097 710288342 /nfs/dbraw/zinc/28/83/42/710288342.db2.gz OZMNZHQOPLIMLI-QMMMGPOBSA-N 1 0 261.268 1.507 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000843104954 710290420 /nfs/dbraw/zinc/29/04/20/710290420.db2.gz NXVJPSMHNFAZQH-CQSZACIVSA-N 1 0 264.369 1.831 20 10 CDCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cccc(OC)c2O)CC1=O ZINC000846208334 710317492 /nfs/dbraw/zinc/31/74/92/710317492.db2.gz IGPFCDDAPBODAV-VXGBXAGGSA-N 1 0 292.379 1.920 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)C2CCOCC2)c1O ZINC000894269936 710331839 /nfs/dbraw/zinc/33/18/39/710331839.db2.gz WPABSNKOHONDOA-CQSZACIVSA-N 1 0 295.379 1.586 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)CCS(C)(=O)=O)c1O ZINC000848898722 710340002 /nfs/dbraw/zinc/34/00/02/710340002.db2.gz GMQHWLVFYBVPTK-LLVKDONJSA-N 1 0 285.409 1.867 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1C ZINC000840962926 710377853 /nfs/dbraw/zinc/37/78/53/710377853.db2.gz OFAIIKXXJPZSNS-HUUCEWRRSA-N 1 0 279.380 1.881 20 10 CDCDRO CC[NH+]1CCC(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000825536154 710383322 /nfs/dbraw/zinc/38/33/22/710383322.db2.gz LHPUHKRIBUNYGB-UHFFFAOYSA-N 1 0 296.342 1.699 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc(C(F)(F)F)c1[O-] ZINC000834897907 710384677 /nfs/dbraw/zinc/38/46/77/710384677.db2.gz XFNIARFJYCVWQH-AVPPRXQKSA-N 1 0 291.269 1.821 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(C)cc1O ZINC000877536353 710468937 /nfs/dbraw/zinc/46/89/37/710468937.db2.gz ZTAHKBBGFVLYHJ-LBPRGKRZSA-N 1 0 282.409 1.658 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1cccc(C)c1O ZINC000840973773 710525804 /nfs/dbraw/zinc/52/58/04/710525804.db2.gz UCQKYAUVWXUDRC-UHFFFAOYSA-N 1 0 271.382 1.615 20 10 CDCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)c2ccc(N)cc2)C1(C)C ZINC000877077280 710533386 /nfs/dbraw/zinc/53/33/86/710533386.db2.gz BIXKDZXCIICQPK-CZUORRHYSA-N 1 0 291.395 1.764 20 10 CDCDRO CCN(CC[NH3+])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863645248 710539087 /nfs/dbraw/zinc/53/90/87/710539087.db2.gz TZNZDMIJCUIMEY-UHFFFAOYSA-N 1 0 273.720 1.734 20 10 CDCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCc1ccc(N)cc1 ZINC000817878005 710549596 /nfs/dbraw/zinc/54/95/96/710549596.db2.gz LJAYXHSWDVXFML-OAHLLOKOSA-N 1 0 290.411 1.547 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000840974820 710556323 /nfs/dbraw/zinc/55/63/23/710556323.db2.gz HVBAGSMOEVVPLF-GDBMZVCRSA-N 1 0 278.396 1.236 20 10 CDCDRO CC1(C(=O)NCc2c(O)ccc3c2CCCC3)C[NH2+]C1 ZINC000817996993 710567253 /nfs/dbraw/zinc/56/72/53/710567253.db2.gz IIRSXZCIMRNSTE-UHFFFAOYSA-N 1 0 274.364 1.497 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C3CCOCC3)cc2)CC1 ZINC000850405870 710569737 /nfs/dbraw/zinc/56/97/37/710569737.db2.gz ILJPOIGJMMFOPP-UHFFFAOYSA-N 1 0 290.407 1.916 20 10 CDCDRO c1cc2c(cc1C[NH2+][C@@H]1CCc3nnnn3CC1)CCCO2 ZINC000922193144 710572388 /nfs/dbraw/zinc/57/23/88/710572388.db2.gz BBQQQLKAOMVAPE-CQSZACIVSA-N 1 0 299.378 1.493 20 10 CDCDRO C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000861620746 710575394 /nfs/dbraw/zinc/57/53/94/710575394.db2.gz LHLGPXDGEWQJSU-NWDGAFQWSA-N 1 0 278.400 1.802 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)Nc1nncs1)c1ccccc1O ZINC000879648304 710578346 /nfs/dbraw/zinc/57/83/46/710578346.db2.gz JHBRFPZNWZQFDB-MRVPVSSYSA-N 1 0 278.337 1.533 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000840957955 710607326 /nfs/dbraw/zinc/60/73/26/710607326.db2.gz NLHIPURACLEVQI-GFCCVEGCSA-N 1 0 292.379 1.701 20 10 CDCDRO CCOC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877655972 710756503 /nfs/dbraw/zinc/75/65/03/710756503.db2.gz RIPHWPMGHPYYRZ-AWEZNQCLSA-N 1 0 265.353 1.938 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000841653321 710830866 /nfs/dbraw/zinc/83/08/66/710830866.db2.gz JIQSWEDNZNXICF-AWEZNQCLSA-N 1 0 290.411 1.694 20 10 CDCDRO C[C@H](NCc1ccc2c(c1)CCO2)c1cnn(C)n1 ZINC000924899456 711358773 /nfs/dbraw/zinc/35/87/73/711358773.db2.gz GDAUIUYKHYUUJX-JTQLQIEISA-N 1 0 258.325 1.601 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc[nH]2)cc1 ZINC000832281948 711482878 /nfs/dbraw/zinc/48/28/78/711482878.db2.gz WAPJAGVKLARZNC-CYBMUJFWSA-N 1 0 272.352 1.511 20 10 CDCDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1O ZINC000843121703 711509399 /nfs/dbraw/zinc/50/93/99/711509399.db2.gz HRUQIQUYMZOLKO-ZDUSSCGKSA-N 1 0 290.342 1.411 20 10 CDCDRO COc1cccc(O)c1CNCC1([NH3+])CCCC1 ZINC000849349748 711536167 /nfs/dbraw/zinc/53/61/67/711536167.db2.gz HYRKNSMKGWLBDF-UHFFFAOYSA-N 1 0 250.342 1.762 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1 ZINC000834908681 711544748 /nfs/dbraw/zinc/54/47/48/711544748.db2.gz LDNUWDMWHKRYBQ-ZUZCIYMTSA-N 1 0 278.352 1.720 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882194 711569911 /nfs/dbraw/zinc/56/99/11/711569911.db2.gz XKIPHRQMZBVGRE-YPMHNXCESA-N 1 0 278.400 1.850 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c1 ZINC000817954174 711576378 /nfs/dbraw/zinc/57/63/78/711576378.db2.gz XCASIOSMCYQDPU-VHSXEESVSA-N 1 0 266.341 1.567 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H]1CCCOC1 ZINC000883203481 711625097 /nfs/dbraw/zinc/62/50/97/711625097.db2.gz DFTGESPHEFICJU-DOMZBBRYSA-N 1 0 295.379 1.932 20 10 CDCDRO CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)[C@H](C)[NH3+] ZINC000818545152 711667063 /nfs/dbraw/zinc/66/70/63/711667063.db2.gz MBOWFKKEASZUPG-SMDDNHRTSA-N 1 0 263.385 1.547 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCCn2cncn2)c1O ZINC000846162958 711667757 /nfs/dbraw/zinc/66/77/57/711667757.db2.gz NIDFEJPNATVPQT-LLVKDONJSA-N 1 0 276.340 1.733 20 10 CDCDRO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1ccccc1O ZINC000886667939 711675228 /nfs/dbraw/zinc/67/52/28/711675228.db2.gz KXZMAUIBFZZNQN-RWMBFGLXSA-N 1 0 265.353 1.973 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c(O)c1 ZINC000385316830 711689315 /nfs/dbraw/zinc/68/93/15/711689315.db2.gz GPVVXLUGEHPUCD-GWCFXTLKSA-N 1 0 251.326 1.915 20 10 CDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000808229245 711717710 /nfs/dbraw/zinc/71/77/10/711717710.db2.gz OSZKAIFIGCBSQA-LBPRGKRZSA-N 1 0 288.391 1.968 20 10 CDCDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000817894915 711729832 /nfs/dbraw/zinc/72/98/32/711729832.db2.gz OWCDFCOVHGJGKK-HZPDHXFCSA-N 1 0 275.396 1.493 20 10 CDCDRO CN(C)c1ccc(CNC[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000818942018 711736689 /nfs/dbraw/zinc/73/66/89/711736689.db2.gz VUZZQYXZGSRSEJ-MRXNPFEDSA-N 1 0 277.412 1.297 20 10 CDCDRO Cc1nc[nH]c1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506955 711753031 /nfs/dbraw/zinc/75/30/31/711753031.db2.gz RSPQUKIZQOVHSZ-CYBMUJFWSA-N 1 0 287.367 1.214 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]2(C)CO)c1 ZINC000789557458 711756149 /nfs/dbraw/zinc/75/61/49/711756149.db2.gz ICCKMRAMMJTZRS-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO OCCOCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000227334465 711773530 /nfs/dbraw/zinc/77/35/30/711773530.db2.gz RYUNQXSOHNOAQM-UHFFFAOYSA-N 1 0 294.395 1.012 20 10 CDCDRO CCCN1C[C@@H](C[NH2+]Cc2cc(OC)ccc2O)CC1=O ZINC000817411539 711777703 /nfs/dbraw/zinc/77/77/03/711777703.db2.gz UIZAMRHPAJNWMV-GFCCVEGCSA-N 1 0 292.379 1.749 20 10 CDCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000824533691 711778448 /nfs/dbraw/zinc/77/84/48/711778448.db2.gz KLWZQYKXIYLBDB-OAHLLOKOSA-N 1 0 278.396 1.726 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000792203736 711780248 /nfs/dbraw/zinc/78/02/48/711780248.db2.gz UJAYPEGYFODEDM-PWSUYJOCSA-N 1 0 279.336 1.832 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NC(C)C)c1 ZINC000228936253 711786747 /nfs/dbraw/zinc/78/67/47/711786747.db2.gz AKXOMYJLNRHRDV-JTQLQIEISA-N 1 0 266.341 1.404 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876660384 711787110 /nfs/dbraw/zinc/78/71/10/711787110.db2.gz SCVHFBBBAOPRPP-OAHLLOKOSA-N 1 0 290.407 1.462 20 10 CDCDRO O=CN1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000827871847 711796838 /nfs/dbraw/zinc/79/68/38/711796838.db2.gz JOUUDSTYYJGADG-UHFFFAOYSA-N 1 0 268.744 1.710 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000706804022 711801900 /nfs/dbraw/zinc/80/19/00/711801900.db2.gz AUEKMLDEBVDHAT-QMMMGPOBSA-N 1 0 290.157 1.252 20 10 CDCDRO CC[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(C)cc1O ZINC000794811682 711812364 /nfs/dbraw/zinc/81/23/64/711812364.db2.gz XWCBFVLPBUYHAS-JSGCOSHPSA-N 1 0 266.385 1.664 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CC(=O)NC)c1 ZINC000825067713 711813225 /nfs/dbraw/zinc/81/32/25/711813225.db2.gz DUHUDTGXISEFTP-SNVBAGLBSA-N 1 0 266.341 1.405 20 10 CDCDRO C[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)S(C)(=O)=O ZINC000819096812 711817712 /nfs/dbraw/zinc/81/77/12/711817712.db2.gz VDENWXLXHMZSOZ-CYBMUJFWSA-N 1 0 294.420 1.586 20 10 CDCDRO CS(=O)(=O)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310759320 711819687 /nfs/dbraw/zinc/81/96/87/711819687.db2.gz AOCZLJDDOAWTMI-NSHDSACASA-N 1 0 269.366 1.404 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c(O)c1 ZINC000788630084 711824215 /nfs/dbraw/zinc/82/42/15/711824215.db2.gz FKSUMLMDBRQWDW-WDEREUQCSA-N 1 0 250.342 1.924 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CC[S@@](C)=O ZINC000877088229 711824616 /nfs/dbraw/zinc/82/46/16/711824616.db2.gz DHOGUKDYUIPSMZ-PIGZYNQJSA-N 1 0 255.383 1.947 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCc3nnnn3CC2)c1O ZINC000848918251 711832801 /nfs/dbraw/zinc/83/28/01/711832801.db2.gz UHEAOYIOKGBWNX-CYBMUJFWSA-N 1 0 287.367 1.436 20 10 CDCDRO Oc1ccc(CN2CCCC[C@@]23CC[NH2+]C3)cc1O ZINC001235122599 914037205 /nfs/dbraw/zinc/03/72/05/914037205.db2.gz HKVSRAGTNWNZTF-HNNXBMFYSA-N 1 0 262.353 1.816 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC001140747720 898172435 /nfs/dbraw/zinc/17/24/35/898172435.db2.gz JLRKMPABAQDWNH-UHFFFAOYSA-N 1 0 291.347 1.935 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)c1O ZINC001172164464 911410998 /nfs/dbraw/zinc/41/09/98/911410998.db2.gz ZUHNQZDEPRIAFM-KBPBESRZSA-N 1 0 274.364 1.944 20 10 CDCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001172596313 911763634 /nfs/dbraw/zinc/76/36/34/911763634.db2.gz YHPOKJIHOQPAEH-QWHCGFSZSA-N 1 0 293.363 1.962 20 10 CDCDRO COc1cccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c1O ZINC001206406404 916100832 /nfs/dbraw/zinc/10/08/32/916100832.db2.gz XTIBIEBNROXJBG-WDEREUQCSA-N 1 0 254.305 1.272 20 10 CDCDRO Cc1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1N(C)C ZINC001139670183 936331503 /nfs/dbraw/zinc/33/15/03/936331503.db2.gz ZBPOFGBLDKEGIJ-AWEZNQCLSA-N 1 0 275.396 1.758 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1OC ZINC001206445237 916921831 /nfs/dbraw/zinc/92/18/31/916921831.db2.gz NXTNVCMKCXTGRF-QWRGUYRKSA-N 1 0 284.331 1.281 20 10 CDCDRO C[C@]1(CO)C[N@H+](Cc2c([O-])cccc2F)CC[C@@H]1O ZINC001137832914 936417996 /nfs/dbraw/zinc/41/79/96/936417996.db2.gz MBEODSZJSGLMER-UONOGXRCSA-N 1 0 269.316 1.097 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)cc(O)c1O ZINC001204343413 917914131 /nfs/dbraw/zinc/91/41/31/917914131.db2.gz PNYGJNQZWJLXHG-BONVTDFDSA-N 1 0 281.352 1.699 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c(O)c1 ZINC001272767174 919204908 /nfs/dbraw/zinc/20/49/08/919204908.db2.gz XYFKMSLBYYOUBQ-MRXNPFEDSA-N 1 0 290.363 1.134 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000832292482 936572315 /nfs/dbraw/zinc/57/23/15/936572315.db2.gz HPVXOVHHXVJYDQ-MRXNPFEDSA-N 1 0 298.390 1.886 20 10 CDCDRO COc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054145 919365619 /nfs/dbraw/zinc/36/56/19/919365619.db2.gz FKMHLUFWIRVZGT-NEPJUHHUSA-N 1 0 262.353 1.727 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CC(C)(F)C3)cc2)CC1 ZINC001139407804 936618143 /nfs/dbraw/zinc/61/81/43/936618143.db2.gz DVZIHWHUUHLKTI-UHFFFAOYSA-N 1 0 277.387 1.982 20 10 CDCDRO Cc1cc(C[N@@H+]2CCCN(C)C(=O)C2)ccc1N(C)C ZINC001139673730 936634710 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ZINC001140947770 936782554 /nfs/dbraw/zinc/78/25/54/936782554.db2.gz FIMHXPPJVPTCPH-CYBMUJFWSA-N 1 0 267.369 1.654 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(O)c1 ZINC001140951067 936783167 /nfs/dbraw/zinc/78/31/67/936783167.db2.gz XANVDOVXOMQVFL-HNNXBMFYSA-N 1 0 276.336 1.775 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)c(O)c1 ZINC001140950560 936783388 /nfs/dbraw/zinc/78/33/88/936783388.db2.gz YRFGOEZKOOKKIT-FOLVSLTJSA-N 1 0 288.391 1.903 20 10 CDCDRO COc1cc(O)c(CN2CC([NH+]3CCCC3)C2)c(OC)c1 ZINC001141028337 936794261 /nfs/dbraw/zinc/79/42/61/936794261.db2.gz LAFKYWKSSNCVET-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO Oc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c1 ZINC001141156584 936821598 /nfs/dbraw/zinc/82/15/98/936821598.db2.gz NXFXCUHOEGSVFL-DGCLKSJQSA-N 1 0 255.289 1.393 20 10 CDCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162322 936823119 /nfs/dbraw/zinc/82/31/19/936823119.db2.gz PGMFSYWFLOGXNA-ZDUSSCGKSA-N 1 0 262.353 1.766 20 10 CDCDRO 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ZINC001254321632 947361479 /nfs/dbraw/zinc/36/14/79/947361479.db2.gz JZMUKVLCHFAJHN-NSHDSACASA-N 1 0 269.366 1.286 20 10 CDCDRO O=C1C[C@H]2C[C@H]([NH2+]Cc3cccc(O)c3O)C[C@H]2C1 ZINC001254929884 947659036 /nfs/dbraw/zinc/65/90/36/947659036.db2.gz ZYNHDODUAYGXDH-GDNZZTSVSA-N 1 0 261.321 1.945 20 10 CDCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001255198885 947777183 /nfs/dbraw/zinc/77/71/83/947777183.db2.gz CORHGSATODTBLT-JKSUJKDBSA-N 1 0 276.380 1.214 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246250765 948056134 /nfs/dbraw/zinc/05/61/34/948056134.db2.gz YDVVOULQJUOQBR-CMPLNLGQSA-N 1 0 250.342 1.370 20 10 CDCDRO CCOC(=O)CC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258473898 948860735 /nfs/dbraw/zinc/86/07/35/948860735.db2.gz YPBNKQZAXFPTPT-YGRLFVJLSA-N 1 0 297.351 1.453 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCOCC2)c(O)c1 ZINC001249173037 949443769 /nfs/dbraw/zinc/44/37/69/949443769.db2.gz QCFPARGXUIPMSS-UHFFFAOYSA-N 1 0 279.336 1.330 20 10 CDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249217112 949461990 /nfs/dbraw/zinc/46/19/90/949461990.db2.gz MWMKJEUOWXAEBH-CYBMUJFWSA-N 1 0 279.336 1.328 20 10 CDCDRO CCOC[C@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252028776 951068076 /nfs/dbraw/zinc/06/80/76/951068076.db2.gz JNICYRKMGBDVPC-CYBMUJFWSA-N 1 0 281.352 1.243 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCSC2)c(O)c1OC ZINC001333697735 953989068 /nfs/dbraw/zinc/98/90/68/953989068.db2.gz KTEZXKRCELKDDK-CQSZACIVSA-N 1 0 299.392 1.367 20 10 CDCDRO C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC001326473278 954397811 /nfs/dbraw/zinc/39/78/11/954397811.db2.gz IIUIGSHALRADPL-QWRGUYRKSA-N 1 0 280.368 1.685 20 10 CDCDRO C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001327480710 954900796 /nfs/dbraw/zinc/90/07/96/954900796.db2.gz MVIQJCAFENKAQK-QWHCGFSZSA-N 1 0 292.427 1.968 20 10 CDCDRO C[NH+]1CCC(C(=O)NCc2cc(O)ccc2O)CC1 ZINC001303225936 956068354 /nfs/dbraw/zinc/06/83/54/956068354.db2.gz SYCPJOXUTSTHDY-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2=NOCC2)c1 ZINC001307629393 956424730 /nfs/dbraw/zinc/42/47/30/956424730.db2.gz RFJKZCPFWRYKQE-SECBINFHSA-N 1 0 250.298 1.828 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)C[S@@](C)=O)cc1OC ZINC001308636107 956556552 /nfs/dbraw/zinc/55/65/52/956556552.db2.gz YLNCLTQKRKCGNP-ZRNGKTOUSA-N 1 0 287.381 1.266 20 10 CDCDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334773912 959346356 /nfs/dbraw/zinc/34/63/56/959346356.db2.gz AYSVRIIXBRBYOU-HNNXBMFYSA-N 1 0 264.369 1.896 20 10 CDCDRO COCCOC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336286983 960288040 /nfs/dbraw/zinc/28/80/40/960288040.db2.gz VGJFOFDASYBFSF-UHFFFAOYSA-N 1 0 264.369 1.896 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC001336844388 960652493 /nfs/dbraw/zinc/65/24/93/960652493.db2.gz GMMVKARBXUKRGN-BXUZGUMPSA-N 1 0 288.395 1.693 20 10 CDCDRO Cn1cnc(/C=C/C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC001343685817 964095118 /nfs/dbraw/zinc/09/51/18/964095118.db2.gz HUELEEDEGLIHEJ-KTRBRXNASA-N 1 0 282.347 1.350 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC001352087433 967090835 /nfs/dbraw/zinc/09/08/35/967090835.db2.gz SOMYERDYJDSOGS-KOLCDFICSA-N 1 0 293.319 1.552 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3F)cc2)CC1 ZINC001528572922 968877261 /nfs/dbraw/zinc/87/72/61/968877261.db2.gz XHFSDOHSUYAZII-GJZGRUSLSA-N 1 0 291.370 1.413 20 10 CDCDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(N)cc1 ZINC001355270730 969106859 /nfs/dbraw/zinc/10/68/59/969106859.db2.gz WMXPXNZMKUKBMQ-INIZCTEOSA-N 1 0 289.423 2.000 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC000848918196 969354822 /nfs/dbraw/zinc/35/48/22/969354822.db2.gz SAEDCIZEZWRWOP-KBPBESRZSA-N 1 0 265.353 1.130 20 10 CDCDRO COCC[C@H]([NH3+])C(=O)NCc1c(O)ccc2ccccc21 ZINC001573974405 1170848056 /nfs/dbraw/zinc/84/80/56/1170848056.db2.gz GLVQXNOMSANLMQ-AWEZNQCLSA-N 1 0 288.347 1.525 20 10 CDCDRO COc1cccc(C[NH2+]CC[C@H](C)CCO)c1O ZINC000295112554 199350608 /nfs/dbraw/zinc/35/06/08/199350608.db2.gz LWWFDCSEXPUOLU-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N(C)C)cc1 ZINC000293747630 198756581 /nfs/dbraw/zinc/75/65/81/198756581.db2.gz QAQBIULHYFASLN-WQVCFCJDSA-N 1 0 278.396 1.943 20 10 CDCDRO COc1ccc(C[NH2+]CCC(=O)N(C)C)cc1C ZINC000037752054 356924915 /nfs/dbraw/zinc/92/49/15/356924915.db2.gz AOAWRYFZSAQKCD-UHFFFAOYSA-N 1 0 250.342 1.572 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576702 356900276 /nfs/dbraw/zinc/90/02/76/356900276.db2.gz CVSRTVLGTLYWNJ-AAEUAGOBSA-N 1 0 262.353 1.868 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1OC ZINC000187985164 357830961 /nfs/dbraw/zinc/83/09/61/357830961.db2.gz PWOBOMTUGHFZMW-ZYHUDNBSSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC[C@@H](C)CCO)c1 ZINC000294685973 199134796 /nfs/dbraw/zinc/13/47/96/199134796.db2.gz BLINLXFFJNFWEI-LLVKDONJSA-N 1 0 253.342 1.899 20 10 CDCDRO COc1cccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1O ZINC000092703348 358560997 /nfs/dbraw/zinc/56/09/97/358560997.db2.gz WXGYLWFWEPDFRR-STQMWFEESA-N 1 0 290.363 1.644 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCN2CCC(O)CC2)c1 ZINC000294924800 199252433 /nfs/dbraw/zinc/25/24/33/199252433.db2.gz UCPISCAHJVNKPH-UHFFFAOYSA-N 1 0 294.395 1.337 20 10 CDCDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880390 358983504 /nfs/dbraw/zinc/98/35/04/358983504.db2.gz QBOROEOTEKLUMR-NSHDSACASA-N 1 0 267.325 1.618 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296897372 200028943 /nfs/dbraw/zinc/02/89/43/200028943.db2.gz OSPIYKLEHFFAKG-VXGBXAGGSA-N 1 0 251.326 1.367 20 10 CDCDRO OCCCN1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297193897 200111026 /nfs/dbraw/zinc/11/10/26/200111026.db2.gz FOZHBGDDIRMHIB-CABCVRRESA-N 1 0 290.407 1.816 20 10 CDCDRO C[N@@H+]1CCCC12CCN(C(=O)c1cccc(O)c1O)CC2 ZINC000365759119 360326347 /nfs/dbraw/zinc/32/63/47/360326347.db2.gz RHQZWTCEDOWPAH-UHFFFAOYSA-N 1 0 290.363 1.798 20 10 CDCDRO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccccc1O ZINC000282421702 364097495 /nfs/dbraw/zinc/09/74/95/364097495.db2.gz SRTNNNUDQYIAOH-DYZYQPBXSA-N 1 0 253.367 1.954 20 10 CDCDRO CCC[N@H+](CCCS(N)(=O)=O)Cc1ccccc1O ZINC000170914729 365164608 /nfs/dbraw/zinc/16/46/08/365164608.db2.gz HALYHRAYBZTKEY-UHFFFAOYSA-N 1 0 286.397 1.283 20 10 CDCDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(F)ccc1O ZINC000230991666 367538371 /nfs/dbraw/zinc/53/83/71/367538371.db2.gz FZVWDYQIIABODD-SECBINFHSA-N 1 0 290.360 1.073 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000281702440 367676021 /nfs/dbraw/zinc/67/60/21/367676021.db2.gz STTUCNDNAGZJOV-RYUDHWBXSA-N 1 0 253.342 1.749 20 10 CDCDRO O=C1N[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]2CO1 ZINC000369720148 369863670 /nfs/dbraw/zinc/86/36/70/369863670.db2.gz FKEMCRGVKRCKLD-SKDRFNHKSA-N 1 0 296.754 1.976 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(=O)N2CCOCC2)c(O)c1 ZINC000294860371 371099217 /nfs/dbraw/zinc/09/92/17/371099217.db2.gz SXZAQXSTXIMVOB-ZDUSSCGKSA-N 1 0 292.379 1.518 20 10 CDCDRO [NH3+]CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294910558 371104752 /nfs/dbraw/zinc/10/47/52/371104752.db2.gz CDINAHCDAZHCDZ-ZDUSSCGKSA-N 1 0 278.352 1.249 20 10 CDCDRO O=C(NCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccco1 ZINC000295773878 371449419 /nfs/dbraw/zinc/44/94/19/371449419.db2.gz ALZUMPDJZGJWBB-LBPRGKRZSA-N 1 0 286.331 1.992 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C3([NH3+])CCC3)ccc21 ZINC000296166772 371639176 /nfs/dbraw/zinc/63/91/76/371639176.db2.gz WWJPKWUDXCEAEZ-UHFFFAOYSA-N 1 0 273.380 1.567 20 10 CDCDRO CCCNC(=O)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770899 390648028 /nfs/dbraw/zinc/64/80/28/390648028.db2.gz VSIOPXHQKPWMOD-UHFFFAOYSA-N 1 0 279.340 1.060 20 10 CDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000133040338 390900804 /nfs/dbraw/zinc/90/08/04/390900804.db2.gz CZUCFRPIEHOUKP-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000178712558 391190605 /nfs/dbraw/zinc/19/06/05/391190605.db2.gz YFYBUVVKVYTJKH-HNNXBMFYSA-N 1 0 291.395 1.137 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000179569372 391211328 /nfs/dbraw/zinc/21/13/28/391211328.db2.gz HSXXMFGHBBZUNV-HNNXBMFYSA-N 1 0 290.407 1.936 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccccc1O ZINC000183671741 391268270 /nfs/dbraw/zinc/26/82/70/391268270.db2.gz UWGWSHWAWWLUFN-CHWSQXEVSA-N 1 0 293.363 1.965 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@](C)(C(N)=O)C(C)C)c1O ZINC000289261384 391611821 /nfs/dbraw/zinc/61/18/21/391611821.db2.gz DEGCQPUAVNMNNT-HNNXBMFYSA-N 1 0 296.342 1.724 20 10 CDCDRO CCN1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000038097905 174112238 /nfs/dbraw/zinc/11/22/38/174112238.db2.gz AKBNIXGSCRIZML-UHFFFAOYSA-N 1 0 250.342 1.672 20 10 CDCDRO CC(C)C(=O)NCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000092104339 260492431 /nfs/dbraw/zinc/49/24/31/260492431.db2.gz ATZSTXOSAASMPJ-UHFFFAOYSA-N 1 0 294.351 1.325 20 10 CDCDRO C[C@H]([NH2+]CCOCCO)c1ccc(N2CCOCC2)cc1 ZINC000159088863 261177519 /nfs/dbraw/zinc/17/75/19/261177519.db2.gz AUYNLSNMKPDZTE-AWEZNQCLSA-N 1 0 294.395 1.183 20 10 CDCDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000276829274 263038279 /nfs/dbraw/zinc/03/82/79/263038279.db2.gz QVHMVBLNVFYXMG-CYBMUJFWSA-N 1 0 260.337 1.589 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000188486942 263959917 /nfs/dbraw/zinc/95/99/17/263959917.db2.gz JRGMZPUJSUUTPU-LBPRGKRZSA-N 1 0 263.385 1.709 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1F ZINC000370397758 267316474 /nfs/dbraw/zinc/31/64/74/267316474.db2.gz FJBYTFPWWLNEEF-UONOGXRCSA-N 1 0 296.386 1.599 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268870739 328075226 /nfs/dbraw/zinc/07/52/26/328075226.db2.gz UIZHOOZHMLLITG-AAEUAGOBSA-N 1 0 261.369 1.634 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377785869 329029367 /nfs/dbraw/zinc/02/93/67/329029367.db2.gz XUCFVXJWQTZYES-UONOGXRCSA-N 1 0 274.364 1.644 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(O)c1O ZINC000177680709 329188979 /nfs/dbraw/zinc/18/89/79/329188979.db2.gz IRWAGSLBIOACEZ-GFCCVEGCSA-N 1 0 290.363 1.717 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cccc(C)c1O ZINC000224915647 329248500 /nfs/dbraw/zinc/24/85/00/329248500.db2.gz IXFJMEUNZNMXAS-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000187549352 329358995 /nfs/dbraw/zinc/35/89/95/329358995.db2.gz GBYCKWOFQALOGF-MRXNPFEDSA-N 1 0 276.380 1.744 20 10 CDCDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000230672168 329368248 /nfs/dbraw/zinc/36/82/48/329368248.db2.gz IUCYUJBPUAZWJP-MWLCHTKSSA-N 1 0 257.305 1.843 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000188496713 329369465 /nfs/dbraw/zinc/36/94/65/329369465.db2.gz MAGZVHDHXFJZHC-MNOVXSKESA-N 1 0 250.342 1.910 20 10 CDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COCCN2)c1O ZINC000530222891 333528967 /nfs/dbraw/zinc/52/89/67/333528967.db2.gz IFRSVMLDUNUISP-JQWIXIFHSA-N 1 0 284.787 1.993 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000234867178 522303196 /nfs/dbraw/zinc/30/31/96/522303196.db2.gz JZWSCKHUYUQJOK-SNVBAGLBSA-N 1 0 275.732 1.151 20 10 CDCDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)OC ZINC000290808194 522547375 /nfs/dbraw/zinc/54/73/75/522547375.db2.gz FWEYGCVNFCXEDA-NSHDSACASA-N 1 0 269.341 1.924 20 10 CDCDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(O)c1O ZINC000790667420 1162165116 /nfs/dbraw/zinc/16/51/16/1162165116.db2.gz AEPYKXNHMNKAQI-NSHDSACASA-N 1 0 276.336 1.312 20 10 CDCDRO CC(C)[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC000274962688 519809860 /nfs/dbraw/zinc/80/98/60/519809860.db2.gz UGOBLHYRKMKWMA-IAQYHMDHSA-N 1 0 294.395 1.731 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC)cc1 ZINC000291905914 520289356 /nfs/dbraw/zinc/28/93/56/520289356.db2.gz MEDRMNDPBLLFCC-RYUDHWBXSA-N 1 0 263.385 1.928 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c(O)c1 ZINC000292514934 520368952 /nfs/dbraw/zinc/36/89/52/520368952.db2.gz DJWBMSMEDGLPNP-CABCVRRESA-N 1 0 295.379 1.811 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000263782992 520373987 /nfs/dbraw/zinc/37/39/87/520373987.db2.gz WBTBLCJQPTVPKK-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1F ZINC000278355236 520896101 /nfs/dbraw/zinc/89/61/01/520896101.db2.gz IZTOYJAMFRUJGT-HUUCEWRRSA-N 1 0 282.359 1.209 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](COC)OC)c1O ZINC000227704997 521364135 /nfs/dbraw/zinc/36/41/35/521364135.db2.gz ARZLFAYLYZVTRG-LBPRGKRZSA-N 1 0 269.341 1.542 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000280346587 521364459 /nfs/dbraw/zinc/36/44/59/521364459.db2.gz RXVZSJPUMVPPRC-KGLIPLIRSA-N 1 0 295.379 1.526 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000068800168 521364808 /nfs/dbraw/zinc/36/48/08/521364808.db2.gz FAGDUGHSUJFAEC-CQSZACIVSA-N 1 0 293.411 1.126 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000193693967 521376582 /nfs/dbraw/zinc/37/65/82/521376582.db2.gz IVGFXLPJLQSBPU-GXFFZTMASA-N 1 0 278.352 1.405 20 10 CDCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880273 522152417 /nfs/dbraw/zinc/15/24/17/522152417.db2.gz FHTSLVNVUFITAI-SNVBAGLBSA-N 1 0 294.351 1.515 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1O ZINC000234915329 522536687 /nfs/dbraw/zinc/53/66/87/522536687.db2.gz IYPWABMOQZDZKB-AWEZNQCLSA-N 1 0 298.770 1.752 20 10 CDCDRO CC[C@H](C(=O)N(C)Cc1ccccc1O)[NH+](C)C ZINC000126437591 523752831 /nfs/dbraw/zinc/75/28/31/523752831.db2.gz HRIAORDBGCWLQH-GFCCVEGCSA-N 1 0 250.342 1.691 20 10 CDCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000278308304 523932478 /nfs/dbraw/zinc/93/24/78/523932478.db2.gz SQXZVYKVWZCNEZ-HNNXBMFYSA-N 1 0 291.395 1.267 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000290305193 524010089 /nfs/dbraw/zinc/01/00/89/524010089.db2.gz ZEMAVTXOHHCWRO-JKOKRWQUSA-N 1 0 251.326 1.765 20 10 CDCDRO COCCOCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617987 524010416 /nfs/dbraw/zinc/01/04/16/524010416.db2.gz VMQNCSHZGYNASJ-JTQLQIEISA-N 1 0 257.305 1.845 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000276754788 524743900 /nfs/dbraw/zinc/74/39/00/524743900.db2.gz FZWPHYMSYWGNTH-CYBMUJFWSA-N 1 0 290.363 1.598 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCCNC2=O)c1 ZINC000036976487 524755858 /nfs/dbraw/zinc/75/58/58/524755858.db2.gz HVXQPLMVJGRNOU-LBPRGKRZSA-N 1 0 264.325 1.159 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC2CC2)c1 ZINC000036782390 524760637 /nfs/dbraw/zinc/76/06/37/524760637.db2.gz GZIDFNYUNKJBTN-SECBINFHSA-N 1 0 264.325 1.330 20 10 CDCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+]1CC(C)(C)O ZINC000188896934 524988127 /nfs/dbraw/zinc/98/81/27/524988127.db2.gz CPRGRIMERUPZTB-GFCCVEGCSA-N 1 0 296.386 1.808 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)CC(=O)N2CCOCC2)cc1C ZINC000078639340 525311545 /nfs/dbraw/zinc/31/15/45/525311545.db2.gz JQZSSFKDDFNYNC-UHFFFAOYSA-N 1 0 292.379 1.300 20 10 CDCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000130771816 525781718 /nfs/dbraw/zinc/78/17/18/525781718.db2.gz TXLCVECVHQDLSO-CYBMUJFWSA-N 1 0 264.369 1.336 20 10 CDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000727644639 574592802 /nfs/dbraw/zinc/59/28/02/574592802.db2.gz NXVRZCVRDDTTOZ-CYBMUJFWSA-N 1 0 285.395 1.839 20 10 CDCDRO OC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCOCC1 ZINC000112717276 1174847129 /nfs/dbraw/zinc/84/71/29/1174847129.db2.gz BDUXHNHAGJDNAU-UHFFFAOYSA-N 1 0 290.407 1.918 20 10 CDCDRO C[N@H+](CCCN1CCCC1=O)Cc1ccccc1O ZINC000731843552 575065646 /nfs/dbraw/zinc/06/56/46/575065646.db2.gz QESBSIWSXZGGPA-UHFFFAOYSA-N 1 0 262.353 1.837 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732263838 575084695 /nfs/dbraw/zinc/08/46/95/575084695.db2.gz WGYHDRYPEPPFLK-VIFPVBQESA-N 1 0 254.355 1.668 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000769540296 575357959 /nfs/dbraw/zinc/35/79/59/575357959.db2.gz LBGCCIQQNDHGMM-VXGBXAGGSA-N 1 0 292.379 1.890 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000773810875 575839348 /nfs/dbraw/zinc/83/93/48/575839348.db2.gz CMGMNPVAYIROPP-MRXNPFEDSA-N 1 0 287.407 1.949 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCSCC1)[C@@H](O)CO2 ZINC000768439795 576282433 /nfs/dbraw/zinc/28/24/33/576282433.db2.gz NJGAPWJYIMNRSD-LBPRGKRZSA-N 1 0 267.350 1.367 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC)cc1 ZINC000741754085 576571114 /nfs/dbraw/zinc/57/11/14/576571114.db2.gz IHLOAIAQAVVNFN-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCC[S@@](C)=O)cc1C ZINC000742372128 576598458 /nfs/dbraw/zinc/59/84/58/576598458.db2.gz RJYCPTIAWZKQSI-QGZVFWFLSA-N 1 0 255.383 1.867 20 10 CDCDRO CC(=O)OC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000753794576 576859469 /nfs/dbraw/zinc/85/94/69/576859469.db2.gz CFPQGDRMIIJASE-UHFFFAOYSA-N 1 0 293.319 1.648 20 10 CDCDRO C[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000750015939 576972277 /nfs/dbraw/zinc/97/22/77/576972277.db2.gz WXXVUDLGDLFTPG-LBPRGKRZSA-N 1 0 263.385 1.661 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c(O)c1C ZINC000756662268 576999175 /nfs/dbraw/zinc/99/91/75/576999175.db2.gz ZNHIRPAPSPTUMK-MWLCHTKSSA-N 1 0 250.342 1.924 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1O ZINC000892076691 617464545 /nfs/dbraw/zinc/46/45/45/617464545.db2.gz CKRLPSBNGQPUHL-GVXVVHGQSA-N 1 0 277.368 1.750 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000892562965 617506269 /nfs/dbraw/zinc/50/62/69/617506269.db2.gz PDICFLMXYXOMOY-MXWKQRLJSA-N 1 0 293.367 1.498 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000892562963 617506447 /nfs/dbraw/zinc/50/64/47/617506447.db2.gz PDICFLMXYXOMOY-GARJFASQSA-N 1 0 293.367 1.498 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)CCO)c(O)c1OC ZINC000893004849 618043821 /nfs/dbraw/zinc/04/38/21/618043821.db2.gz MZNQNGFARINRIM-SECBINFHSA-N 1 0 255.314 1.270 20 10 CDCDRO COc1ccc(N2CC[NH+](CCC[C@@H](C)O)CC2)cc1 ZINC000045619324 617593559 /nfs/dbraw/zinc/59/35/59/617593559.db2.gz UROFLIRSLJPVKP-CQSZACIVSA-N 1 0 278.396 1.978 20 10 CDCDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893351969 617642947 /nfs/dbraw/zinc/64/29/47/617642947.db2.gz WCHKPHQAFNJUIX-UHFFFAOYSA-N 1 0 297.351 1.841 20 10 CDCDRO COc1ccc(C[NH2+]CCc2ccnn2C)c(O)c1OC ZINC000893607631 617657455 /nfs/dbraw/zinc/65/74/55/617657455.db2.gz YZNCCNHDKNIFKZ-UHFFFAOYSA-N 1 0 291.351 1.475 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCO2)c(O)c1OC ZINC000892432709 618194726 /nfs/dbraw/zinc/19/47/26/618194726.db2.gz UYQQFWFEPQEYSU-LLVKDONJSA-N 1 0 267.325 1.678 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c(O)c1 ZINC000877326284 618605859 /nfs/dbraw/zinc/60/58/59/618605859.db2.gz VRAVKTMQJYERJF-PIGZYNQJSA-N 1 0 255.383 1.899 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894251871 618758003 /nfs/dbraw/zinc/75/80/03/618758003.db2.gz SDVJIJWOMBIDCD-CQSZACIVSA-N 1 0 269.341 1.196 20 10 CDCDRO COc1ccc(N2CC[C@H](Nc3cc[nH+]cc3CO)C2)cc1 ZINC000894487391 618914276 /nfs/dbraw/zinc/91/42/76/618914276.db2.gz SLKJNHJCJDMUCE-AWEZNQCLSA-N 1 0 299.374 1.695 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H](C)O ZINC000894736275 619033959 /nfs/dbraw/zinc/03/39/59/619033959.db2.gz SPPRQYCDAVABON-ONGXEEELSA-N 1 0 269.341 1.658 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CC(O)(C(C)C)C2)c1O ZINC000894971436 619168449 /nfs/dbraw/zinc/16/84/49/619168449.db2.gz YPBXOHVAZARKLJ-UHFFFAOYSA-N 1 0 265.353 1.912 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c1O ZINC000895328495 619567667 /nfs/dbraw/zinc/56/76/67/619567667.db2.gz GPVVOMXBSPBBLH-TZMCWYRMSA-N 1 0 251.326 1.018 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000895749286 619823349 /nfs/dbraw/zinc/82/33/49/619823349.db2.gz QHRUAYUPEFYTPA-KGLIPLIRSA-N 1 0 265.353 1.720 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCN2CCNC2=O)cc1Cl ZINC000895813256 619857051 /nfs/dbraw/zinc/85/70/51/619857051.db2.gz AYKOGMPDUHTDLD-UHFFFAOYSA-N 1 0 283.759 1.469 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(F)ccc1O ZINC000896621479 620170455 /nfs/dbraw/zinc/17/04/55/620170455.db2.gz PXRIYVBDKVUIKO-AWEZNQCLSA-N 1 0 282.359 1.732 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc(C)c(C)cc1O ZINC000897710516 621083986 /nfs/dbraw/zinc/08/39/86/621083986.db2.gz VEFIVCWIDKEPNJ-UHFFFAOYSA-N 1 0 264.369 1.967 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000035134284 621312487 /nfs/dbraw/zinc/31/24/87/621312487.db2.gz YPXJDYKWGLHDIL-ZDUSSCGKSA-N 1 0 291.395 1.137 20 10 CDCDRO CNC(=S)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899724284 622386616 /nfs/dbraw/zinc/38/66/16/622386616.db2.gz LXAFACTXANPEOQ-ZDUSSCGKSA-N 1 0 280.441 1.449 20 10 CDCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]2CO)c1 ZINC000902631186 625060765 /nfs/dbraw/zinc/06/07/65/625060765.db2.gz VCQJCPKJXSPUGT-LBPRGKRZSA-N 1 0 265.353 1.962 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000905694895 626940969 /nfs/dbraw/zinc/94/09/69/626940969.db2.gz KMWZDUPBYNSXMA-LBPRGKRZSA-N 1 0 293.363 1.904 20 10 CDCDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841087654 628479155 /nfs/dbraw/zinc/47/91/55/628479155.db2.gz UVKHKDKBKQBVAI-MRXNPFEDSA-N 1 0 289.423 1.753 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC000691527922 1162655593 /nfs/dbraw/zinc/65/55/93/1162655593.db2.gz VNWYHGYFISIUNG-BMLIUANNSA-N 1 0 255.383 1.811 20 10 CDCDRO COc1ccc2c(c1)CCCN2C[C@@H](O)C[N@H+](C)C1CC1 ZINC000809934148 1163119675 /nfs/dbraw/zinc/11/96/75/1163119675.db2.gz JJKMDMMITXCSRD-HNNXBMFYSA-N 1 0 290.407 1.903 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001604338460 1163155855 /nfs/dbraw/zinc/15/58/55/1163155855.db2.gz OKXNQVKLCZSEEH-JQWIXIFHSA-N 1 0 294.351 1.120 20 10 CDCDRO [NH3+][C@H]1Cc2ccccc2N(c2cc3c(cn2)NC(=O)C3)C1 ZINC001155297309 1167119042 /nfs/dbraw/zinc/11/90/42/1167119042.db2.gz CJFXSVSBSZBBSO-LBPRGKRZSA-N 1 0 280.331 1.598 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC001578496792 1171935377 /nfs/dbraw/zinc/93/53/77/1171935377.db2.gz TYWRQKYRMXSANQ-WCQYABFASA-N 1 0 277.368 1.661 20 10 CDCDRO O=C(NCc1ccc2cccnc2c1O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001580718579 1172521972 /nfs/dbraw/zinc/52/19/72/1172521972.db2.gz UYYPNZDADHAMEP-DYVFJYSZSA-N 1 0 297.358 1.699 20 10 CDCDRO Oc1cccc(C[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000236516499 1178310932 /nfs/dbraw/zinc/31/09/32/1178310932.db2.gz XEXMXSXSJSMLFH-QMMMGPOBSA-N 1 0 251.204 1.111 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCO[C@@H]1CCOC1)OCO2 ZINC000922939257 711868753 /nfs/dbraw/zinc/86/87/53/711868753.db2.gz MTOGIZXGGLPWRG-LLVKDONJSA-N 1 0 281.308 1.016 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000829764833 711869540 /nfs/dbraw/zinc/86/95/40/711869540.db2.gz YOTBWWUQNSXDCZ-AWEZNQCLSA-N 1 0 275.396 1.675 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000707630455 711873088 /nfs/dbraw/zinc/87/30/88/711873088.db2.gz DKKHNYXRLDSZFD-DKTWLAJQSA-N 1 0 271.744 1.915 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)CC[S@](C)=O)c(O)c1 ZINC000877090653 711877710 /nfs/dbraw/zinc/87/77/10/711877710.db2.gz WXBLEQULVJAUOU-DIFFPNOSSA-N 1 0 255.383 1.947 20 10 CDCDRO COCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020142861 711885751 /nfs/dbraw/zinc/88/57/51/711885751.db2.gz VVJAEFUDHLLYDY-UHFFFAOYSA-N 1 0 264.369 1.649 20 10 CDCDRO CSC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130715338 711891904 /nfs/dbraw/zinc/89/19/04/711891904.db2.gz QBIMSTBJOBBBCY-MRVPVSSYSA-N 1 0 255.339 1.962 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841966285 711919253 /nfs/dbraw/zinc/91/92/53/711919253.db2.gz BECXHLKQPQUSMX-GFCCVEGCSA-N 1 0 278.400 1.631 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000179905381 711930584 /nfs/dbraw/zinc/93/05/84/711930584.db2.gz RSJBUIFATFNESD-GFCCVEGCSA-N 1 0 292.379 1.878 20 10 CDCDRO O[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000865736547 711964941 /nfs/dbraw/zinc/96/49/41/711964941.db2.gz JSDCGCLNJZXWHU-HOCLYGCPSA-N 1 0 294.370 1.665 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000877037298 711971895 /nfs/dbraw/zinc/97/18/95/711971895.db2.gz ZQEJEXICOGAAOO-AAEUAGOBSA-N 1 0 292.379 1.938 20 10 CDCDRO C[NH+](C)CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000864624023 711989055 /nfs/dbraw/zinc/98/90/55/711989055.db2.gz SLNOLXZAHGHYMG-UHFFFAOYSA-N 1 0 275.356 1.391 20 10 CDCDRO CCOCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097782 711996510 /nfs/dbraw/zinc/99/65/10/711996510.db2.gz MEQGJZVMEAIPNF-OAHLLOKOSA-N 1 0 293.411 1.508 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(C)cccc1O ZINC000877119152 712024146 /nfs/dbraw/zinc/02/41/46/712024146.db2.gz BSHVCVTZCQJGGI-AAEUAGOBSA-N 1 0 262.353 1.705 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000092953817 712085913 /nfs/dbraw/zinc/08/59/13/712085913.db2.gz BANZFHINKVVVQL-DOMZBBRYSA-N 1 0 275.396 1.709 20 10 CDCDRO CCc1cccc(C[NH2+]CCC(=O)N2CCOCC2)c1O ZINC000848894754 712100123 /nfs/dbraw/zinc/10/01/23/712100123.db2.gz OGNHRTXHRADDSF-UHFFFAOYSA-N 1 0 292.379 1.293 20 10 CDCDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1c([O-])cccc1F ZINC000886611045 712106611 /nfs/dbraw/zinc/10/66/11/712106611.db2.gz REUQNHUSJMIWHV-JTQLQIEISA-N 1 0 271.332 1.969 20 10 CDCDRO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)[C@H](C)C1 ZINC000793586079 712137702 /nfs/dbraw/zinc/13/77/02/712137702.db2.gz FRPWFWKHTAXWKD-NEPJUHHUSA-N 1 0 298.814 1.933 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000877459780 712158438 /nfs/dbraw/zinc/15/84/38/712158438.db2.gz MSKUSFMLQFKPKT-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO OCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000076275569 712192161 /nfs/dbraw/zinc/19/21/61/712192161.db2.gz XUXOJZNSWKGTGX-UHFFFAOYSA-N 1 0 264.369 1.120 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000817896936 712201015 /nfs/dbraw/zinc/20/10/15/712201015.db2.gz ZMWBXGMGTLYLOY-IRXDYDNUSA-N 1 0 289.423 1.609 20 10 CDCDRO CCOc1ccc(C[NH2+]CCN2CCC(O)CC2)c(O)c1 ZINC000825110336 712212146 /nfs/dbraw/zinc/21/21/46/712212146.db2.gz FBADAWIZMNYSQB-UHFFFAOYSA-N 1 0 294.395 1.337 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnc(N)s2)cc1 ZINC000843126697 712225587 /nfs/dbraw/zinc/22/55/87/712225587.db2.gz UNXMJYVYODGNOI-CYBMUJFWSA-N 1 0 291.424 1.581 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000389661136 712228157 /nfs/dbraw/zinc/22/81/57/712228157.db2.gz BQUBXFXJCGPWLP-SNVBAGLBSA-N 1 0 264.325 1.312 20 10 CDCDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825510787 712259334 /nfs/dbraw/zinc/25/93/34/712259334.db2.gz IUHOZPINFXKMCE-VIFPVBQESA-N 1 0 282.315 1.309 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000182447145 712263947 /nfs/dbraw/zinc/26/39/47/712263947.db2.gz LAZHNNWFVCVNIV-VXGBXAGGSA-N 1 0 291.351 1.309 20 10 CDCDRO CN(C)C(=O)CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858112279 712265015 /nfs/dbraw/zinc/26/50/15/712265015.db2.gz ARXYENLEMMFJRL-UHFFFAOYSA-N 1 0 299.365 1.989 20 10 CDCDRO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000776521303 712267523 /nfs/dbraw/zinc/26/75/23/712267523.db2.gz VYRORVOUDGAVMI-HNNXBMFYSA-N 1 0 299.342 1.714 20 10 CDCDRO C[C@@H](O)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877484709 712267710 /nfs/dbraw/zinc/26/77/10/712267710.db2.gz LUXICDXBWNBQAX-CQSZACIVSA-N 1 0 292.423 1.898 20 10 CDCDRO CNC(=O)CCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846141719 712283232 /nfs/dbraw/zinc/28/32/32/712283232.db2.gz MXZCCDWRERCYOM-SNVBAGLBSA-N 1 0 266.341 1.578 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1CO ZINC000857061738 712338341 /nfs/dbraw/zinc/33/83/41/712338341.db2.gz UUAKSLZIXGZNLN-JQWIXIFHSA-N 1 0 279.336 1.571 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000092953816 712345412 /nfs/dbraw/zinc/34/54/12/712345412.db2.gz BANZFHINKVVVQL-SWLSCSKDSA-N 1 0 275.396 1.709 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c1O ZINC000848918032 712357336 /nfs/dbraw/zinc/35/73/36/712357336.db2.gz NHTUKHWPHFIOAN-AWEZNQCLSA-N 1 0 279.380 1.926 20 10 CDCDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000312032294 712361197 /nfs/dbraw/zinc/36/11/97/712361197.db2.gz YDKKRKYJEHZNGF-WFASDCNBSA-N 1 0 266.385 1.801 20 10 CDCDRO CN(C)C(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020125979 712374608 /nfs/dbraw/zinc/37/46/08/712374608.db2.gz VLBKQGKQZKKPQN-UHFFFAOYSA-N 1 0 291.439 1.953 20 10 CDCDRO C[NH+]1CCC(ONC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000854358158 712376105 /nfs/dbraw/zinc/37/61/05/712376105.db2.gz QKBADGGISFJHAP-HYXAFXHYSA-N 1 0 292.335 1.253 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000828667135 712384602 /nfs/dbraw/zinc/38/46/02/712384602.db2.gz MWQVZAVVJYAZHJ-MNOVXSKESA-N 1 0 278.352 1.720 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000709431855 712409649 /nfs/dbraw/zinc/40/96/49/712409649.db2.gz NTTKNOSMOPQAJH-LLVKDONJSA-N 1 0 283.393 1.479 20 10 CDCDRO CCOC[C@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877655541 712415220 /nfs/dbraw/zinc/41/52/20/712415220.db2.gz BMTHROKDGMZKIF-CYBMUJFWSA-N 1 0 265.353 1.938 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(O)c1 ZINC000877352519 712429019 /nfs/dbraw/zinc/42/90/19/712429019.db2.gz HBBIUSOWJALIMA-CQSZACIVSA-N 1 0 289.379 1.737 20 10 CDCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850568405 712460555 /nfs/dbraw/zinc/46/05/55/712460555.db2.gz WZFHZSJOANIOMW-ZDUSSCGKSA-N 1 0 278.396 1.508 20 10 CDCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nccn1C ZINC000817940287 712461516 /nfs/dbraw/zinc/46/15/16/712461516.db2.gz FPYZGPSRQCZWOD-WFASDCNBSA-N 1 0 287.411 1.837 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)[C@H](C)O1 ZINC000817943298 712462299 /nfs/dbraw/zinc/46/22/99/712462299.db2.gz UCWRQSWAMTWZDC-KNPMLCFXSA-N 1 0 277.412 1.908 20 10 CDCDRO C[NH2+]CCCC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666884 712469229 /nfs/dbraw/zinc/46/92/29/712469229.db2.gz JNWNPEUEYSFQPD-JTQLQIEISA-N 1 0 266.341 1.578 20 10 CDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853122901 712505631 /nfs/dbraw/zinc/50/56/31/712505631.db2.gz VMRMVVLRFRFWKF-OAHLLOKOSA-N 1 0 278.396 1.508 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3CCC[NH2+]3)ccc21 ZINC000113807460 712512091 /nfs/dbraw/zinc/51/20/91/712512091.db2.gz QASWXKQCVVEOCQ-CQSZACIVSA-N 1 0 273.380 1.437 20 10 CDCDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cccc(F)c1O)C2 ZINC000857226404 712538879 /nfs/dbraw/zinc/53/88/79/712538879.db2.gz NDFLKVSOGLFNAK-BXUZGUMPSA-N 1 0 250.317 1.845 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846157964 712679167 /nfs/dbraw/zinc/67/91/67/712679167.db2.gz QKJBBOFLAWJORN-QWRGUYRKSA-N 1 0 269.341 1.449 20 10 CDCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922074085 712699895 /nfs/dbraw/zinc/69/98/95/712699895.db2.gz RGICJZZEPLVBDY-WBMJQRKESA-N 1 0 277.364 1.641 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000865706833 712726472 /nfs/dbraw/zinc/72/64/72/712726472.db2.gz IINOQDZGNFYEBT-UHFFFAOYSA-N 1 0 286.397 1.038 20 10 CDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000832178443 712738812 /nfs/dbraw/zinc/73/88/12/712738812.db2.gz SCUHKVGKCYACOT-RNCFNFMXSA-N 1 0 266.341 1.390 20 10 CDCDRO CCCOc1ccc(C[NH2+]CC(=O)N(C)C)cc1C ZINC000873007771 712748278 /nfs/dbraw/zinc/74/82/78/712748278.db2.gz FEOWQJZXCZSINR-UHFFFAOYSA-N 1 0 264.369 1.962 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c(O)c1 ZINC000840825327 712748614 /nfs/dbraw/zinc/74/86/14/712748614.db2.gz DWHHFRDGZMTSJF-NWDGAFQWSA-N 1 0 262.353 1.877 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC2(C)C)cc1 ZINC000832267674 712776524 /nfs/dbraw/zinc/77/65/24/712776524.db2.gz YZUIWMCVNCPKLR-ZIAGYGMSSA-N 1 0 275.396 1.915 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000062973472 712797962 /nfs/dbraw/zinc/79/79/62/712797962.db2.gz YGHCFBDLFGSCDB-MRXNPFEDSA-N 1 0 287.407 1.898 20 10 CDCDRO CN(Cc1nc(C(C)(C)[NH3+])no1)c1ccc(N)cc1 ZINC000863555886 1164490675 /nfs/dbraw/zinc/49/06/75/1164490675.db2.gz JUXFVHDXGRHNRF-UHFFFAOYSA-N 1 0 261.329 1.482 20 10 CDCDRO COc1ccc(C[NH2+]CCCO)cc1Cn1cccn1 ZINC000873007294 1165502769 /nfs/dbraw/zinc/50/27/69/1165502769.db2.gz KFNPVRYNIVQNOL-UHFFFAOYSA-N 1 0 275.352 1.412 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCNC(=O)C2)cc1F ZINC000876989569 1165954828 /nfs/dbraw/zinc/95/48/28/1165954828.db2.gz YLVQJVJNIFZPHT-LBPRGKRZSA-N 1 0 279.359 1.650 20 10 CDCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1 ZINC000876995565 1165956343 /nfs/dbraw/zinc/95/63/43/1165956343.db2.gz GPSCMZPVZWFYFM-CYBMUJFWSA-N 1 0 260.337 1.380 20 10 CDCDRO CC[C@](C)(CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877143698 1165981413 /nfs/dbraw/zinc/98/14/13/1165981413.db2.gz WILFGRDIAMUCAU-QGZVFWFLSA-N 1 0 292.423 1.898 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCNC3=O)CC2)c1 ZINC000877783400 1166099508 /nfs/dbraw/zinc/09/95/08/1166099508.db2.gz RNOUQXRRSAWNNM-UHFFFAOYSA-N 1 0 274.364 1.803 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2COC(C)(C)O2)c1 ZINC000230204743 912290329 /nfs/dbraw/zinc/29/03/29/912290329.db2.gz QLBMXWSVQPWNQF-LBPRGKRZSA-N 1 0 251.326 1.942 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000231606406 912477748 /nfs/dbraw/zinc/47/77/48/912477748.db2.gz NKXVHXUILGCAAO-LLVKDONJSA-N 1 0 259.733 1.533 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1O ZINC001233483464 912826210 /nfs/dbraw/zinc/82/62/10/912826210.db2.gz ZXUBGDLEJVPWCB-CQSZACIVSA-N 1 0 265.309 1.416 20 10 CDCDRO COc1ccc(C[NH2+]CCCNC(C)=O)cc1C ZINC000074231235 894428131 /nfs/dbraw/zinc/42/81/31/894428131.db2.gz MMQJOKOKXPLXGE-UHFFFAOYSA-N 1 0 250.342 1.619 20 10 CDCDRO Cc1ccc(C)c(CN2CCn3nncc3C2)c1O ZINC001140184501 895214780 /nfs/dbraw/zinc/21/47/80/895214780.db2.gz WWVAVNDJWXJOGU-UHFFFAOYSA-N 1 0 258.325 1.616 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC001140742801 898164398 /nfs/dbraw/zinc/16/43/98/898164398.db2.gz ZTRHIXPJWAKEQL-QWRGUYRKSA-N 1 0 255.289 1.311 20 10 CDCDRO C[C@@H]1[C@H]([NH2+]Cc2c(O)cccc2Cl)CCS1(=O)=O ZINC000311238195 898698941 /nfs/dbraw/zinc/69/89/41/898698941.db2.gz XMZFVJFLJXCWRV-LDYMZIIASA-N 1 0 289.784 1.711 20 10 CDCDRO CCNC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000228324173 899582842 /nfs/dbraw/zinc/58/28/42/899582842.db2.gz BWLVDKBTTFKNKG-LBPRGKRZSA-N 1 0 263.385 1.929 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000130457088 914497843 /nfs/dbraw/zinc/49/78/43/914497843.db2.gz PBKFOQKUGUAKKM-OAHLLOKOSA-N 1 0 291.395 1.518 20 10 CDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1ccc(Cl)cc1O)C2 ZINC001235998698 914526143 /nfs/dbraw/zinc/52/61/43/914526143.db2.gz YZAIIOKUHAJEML-MFKMUULPSA-N 1 0 252.745 1.969 20 10 CDCDRO Cc1cc(O)c(CN2CC(C)([NH3+])C2)cc1Br ZINC001204994033 905768919 /nfs/dbraw/zinc/76/89/19/905768919.db2.gz PODYXTNKDGUMSK-UHFFFAOYSA-N 1 0 285.185 1.996 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CCO1 ZINC001168078153 906731055 /nfs/dbraw/zinc/73/10/55/906731055.db2.gz KOQWUPIJIUUILP-PWSUYJOCSA-N 1 0 251.326 1.797 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCO1 ZINC001168088075 906882359 /nfs/dbraw/zinc/88/23/59/906882359.db2.gz NVKLUGWPKGLFLX-ONGXEEELSA-N 1 0 265.309 1.438 20 10 CDCDRO CCC[NH2+]CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841653199 907744506 /nfs/dbraw/zinc/74/45/06/907744506.db2.gz HXMXLKPHZMMLSK-UHFFFAOYSA-N 1 0 278.400 1.551 20 10 CDCDRO COc1cccc(C[NH2+]Cc2cccc(C(N)=O)c2)c1O ZINC000036902866 909862173 /nfs/dbraw/zinc/86/21/73/909862173.db2.gz CGZHJMYIGVEMLY-UHFFFAOYSA-N 1 0 286.331 1.790 20 10 CDCDRO O=C1C[C@@H]([NH2+]Cc2ccccc2O)CCN1C1CC1 ZINC001172001138 911063323 /nfs/dbraw/zinc/06/33/23/911063323.db2.gz YAMCHJHIGPVJAM-LBPRGKRZSA-N 1 0 260.337 1.635 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC001172164466 911411329 /nfs/dbraw/zinc/41/13/29/911411329.db2.gz ZUHNQZDEPRIAFM-UONOGXRCSA-N 1 0 274.364 1.944 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180000 911436710 /nfs/dbraw/zinc/43/67/10/911436710.db2.gz QGDCHIXZUNPASO-UONOGXRCSA-N 1 0 274.364 1.977 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1(CO)CC1 ZINC000696064218 911638536 /nfs/dbraw/zinc/63/85/36/911638536.db2.gz SUJHKDANZSOOSU-VIFPVBQESA-N 1 0 265.309 1.372 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001173165374 912204291 /nfs/dbraw/zinc/20/42/91/912204291.db2.gz GMFVNYYYLJZBIZ-DRCTWCGVSA-N 1 0 267.325 1.288 20 10 CDCDRO C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1C[NH3+] ZINC000237701346 915279451 /nfs/dbraw/zinc/27/94/51/915279451.db2.gz OGNBILOKKYCIJL-FZMZJTMJSA-N 1 0 261.369 1.397 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1 ZINC001206404039 916044404 /nfs/dbraw/zinc/04/44/04/916044404.db2.gz KEJAUTOQSQYUQS-CHWSQXEVSA-N 1 0 251.349 1.624 20 10 CDCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000096811404 935041480 /nfs/dbraw/zinc/04/14/80/935041480.db2.gz FXXWMIXXJOAPTM-ZDUSSCGKSA-N 1 0 264.369 1.384 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H]([NH3+])C[C@H](F)C1 ZINC001206432154 916619633 /nfs/dbraw/zinc/61/96/33/916619633.db2.gz BHMWQCSULOLMKN-QWHCGFSZSA-N 1 0 281.375 1.632 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c1 ZINC001181507178 917112224 /nfs/dbraw/zinc/11/22/24/917112224.db2.gz ZMDKKRMZDHSCRO-QMTHXVAHSA-N 1 0 251.326 1.604 20 10 CDCDRO CCOCCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001124704807 917580533 /nfs/dbraw/zinc/58/05/33/917580533.db2.gz TYBTVLVUNWJYAY-UHFFFAOYSA-N 1 0 294.395 1.636 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000076275563 917607776 /nfs/dbraw/zinc/60/77/76/917607776.db2.gz VKWARKRSAKDUEJ-GFCCVEGCSA-N 1 0 264.369 1.118 20 10 CDCDRO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCc2cccc(O)c2C1 ZINC001182013616 917616309 /nfs/dbraw/zinc/61/63/09/917616309.db2.gz RVEBWXHURHCGTL-OAHLLOKOSA-N 1 0 286.375 1.619 20 10 CDCDRO CC(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000184921625 917738550 /nfs/dbraw/zinc/73/85/50/917738550.db2.gz OWRUXYPHFSPUDV-LLVKDONJSA-N 1 0 250.342 1.877 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)c(O)c1 ZINC000832178650 936563428 /nfs/dbraw/zinc/56/34/28/936563428.db2.gz VEIGVYKUZZLSFC-BXKDBHETSA-N 1 0 264.325 1.015 20 10 CDCDRO CO[C@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832282011 936571741 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COc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(O)c1 ZINC001203628498 919788349 /nfs/dbraw/zinc/78/83/49/919788349.db2.gz BMQMZSAGXHVQDX-HNNXBMFYSA-N 1 0 292.335 1.475 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000827812146 936607917 /nfs/dbraw/zinc/60/79/17/936607917.db2.gz DPFVAIOEVJGQQA-HAQNSBGRSA-N 1 0 280.343 1.933 20 10 CDCDRO COc1cc(CN2CCCCO2)cc(C[NH+](C)C)c1O ZINC001139252960 936611899 /nfs/dbraw/zinc/61/18/99/936611899.db2.gz GZWAVKIRJFFPRM-UHFFFAOYSA-N 1 0 280.368 1.990 20 10 CDCDRO COc1cc(Cl)cc(CN(C)[C@@H](C)C[NH3+])c1O ZINC000382999498 936616879 /nfs/dbraw/zinc/61/68/79/936616879.db2.gz PHCYEHFGQZHSIT-QMMMGPOBSA-N 1 0 258.749 1.833 20 10 CDCDRO CC(C)(C)c1cccc(CN2C[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205358545 920102045 /nfs/dbraw/zinc/10/20/45/920102045.db2.gz XODRVEXTVZPGBO-CHWSQXEVSA-N 1 0 264.369 1.194 20 10 CDCDRO CCCN1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000389557564 936647564 /nfs/dbraw/zinc/64/75/64/936647564.db2.gz SGQMEKMGYUQJEQ-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1O ZINC000775131854 920578123 /nfs/dbraw/zinc/57/81/23/920578123.db2.gz XJKGOHFJMJTKDM-LLVKDONJSA-N 1 0 271.382 1.868 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)c1O ZINC001140184107 936684767 /nfs/dbraw/zinc/68/47/67/936684767.db2.gz NDJZMUQSYWCOEJ-ZDUSSCGKSA-N 1 0 290.363 1.052 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1O ZINC001140181228 936685056 /nfs/dbraw/zinc/68/50/56/936685056.db2.gz QSPTZJOYRBIZHQ-NUEKZKHPSA-N 1 0 291.391 1.981 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1C ZINC000835061896 936715792 /nfs/dbraw/zinc/71/57/92/936715792.db2.gz VUKREBKMDKUITB-OAHLLOKOSA-N 1 0 262.353 1.762 20 10 CDCDRO COCCN1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140744400 936748897 /nfs/dbraw/zinc/74/88/97/936748897.db2.gz WIIYVAOYTUVUBO-UHFFFAOYSA-N 1 0 280.368 1.170 20 10 CDCDRO CO[C@H](C)C1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749521 936749889 /nfs/dbraw/zinc/74/98/89/936749889.db2.gz COIREGMIRNVJGM-SNVBAGLBSA-N 1 0 251.326 1.873 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC001140921340 936776124 /nfs/dbraw/zinc/77/61/24/936776124.db2.gz AXUIKIIAJWISQD-IUODEOHRSA-N 1 0 298.814 1.581 20 10 CDCDRO CCN1CCO[C@@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140949833 936783356 /nfs/dbraw/zinc/78/33/56/936783356.db2.gz IDAPJAMFZXGYIN-DOTOQJQBSA-N 1 0 290.407 1.853 20 10 CDCDRO Cc1ccc(CN2CCOC[C@@H]2C[NH+](C)C)c(O)c1 ZINC001140958157 936784051 /nfs/dbraw/zinc/78/40/51/936784051.db2.gz SRSNAMXVUOMOQG-AWEZNQCLSA-N 1 0 264.369 1.463 20 10 CDCDRO CC[N@H+](Cc1c(O)cc(OC)cc1OC)C1CN(C)C1 ZINC001141030732 936794676 /nfs/dbraw/zinc/79/46/76/936794676.db2.gz IVSHSIRSFSVKHW-UHFFFAOYSA-N 1 0 280.368 1.545 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000710920326 923260532 /nfs/dbraw/zinc/26/05/32/923260532.db2.gz GKJORKOZWMJERY-NILFDRSVSA-N 1 0 264.369 1.553 20 10 CDCDRO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)CC[C@H]21 ZINC001141163197 936823536 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ZINC000841792183 937015309 /nfs/dbraw/zinc/01/53/09/937015309.db2.gz AYVKJAJYUWLCEJ-UHFFFAOYSA-N 1 0 290.411 1.681 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC[NH2+]C1CC1 ZINC000841829309 937016525 /nfs/dbraw/zinc/01/65/25/937016525.db2.gz ZKRRJYNSHQBAIE-UHFFFAOYSA-N 1 0 290.411 1.612 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205880447 925987640 /nfs/dbraw/zinc/98/76/40/925987640.db2.gz HILZUAAQGAPHBQ-DOMZBBRYSA-N 1 0 277.412 1.930 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCCO[C@H](C[NH3+])C2)c1O ZINC000842479431 937058786 /nfs/dbraw/zinc/05/87/86/937058786.db2.gz SCCMKWTYZNCVOX-CYBMUJFWSA-N 1 0 296.342 1.284 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843048225 937107158 /nfs/dbraw/zinc/10/71/58/937107158.db2.gz CIURSHGWGOPEJN-SECBINFHSA-N 1 0 281.312 1.090 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843412167 937146903 /nfs/dbraw/zinc/14/69/03/937146903.db2.gz CAZJNLJRFHJWMP-NHAGDIPZSA-N 1 0 274.364 1.596 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c(O)c1 ZINC000776522007 927541107 /nfs/dbraw/zinc/54/11/07/927541107.db2.gz YFCAVZXPEKNSOY-NSPYISDASA-N 1 0 285.409 1.990 20 10 CDCDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001168986144 927567760 /nfs/dbraw/zinc/56/77/60/927567760.db2.gz WPGNLNWRIZDPFR-QWRGUYRKSA-N 1 0 266.297 1.633 20 10 CDCDRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001169576040 928195436 /nfs/dbraw/zinc/19/54/36/928195436.db2.gz GWVJEBTVTALENM-HNNXBMFYSA-N 1 0 274.364 1.722 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(C)C2)cc1F ZINC000858127587 928807102 /nfs/dbraw/zinc/80/71/02/928807102.db2.gz JLIMWTPYADIKBT-NSHDSACASA-N 1 0 269.339 1.825 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1 ZINC000858281449 928829227 /nfs/dbraw/zinc/82/92/27/928829227.db2.gz JWUCHYHXNXNYFP-ZWNOBZJWSA-N 1 0 299.392 1.456 20 10 CDCDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@H]21 ZINC000861912855 929353127 /nfs/dbraw/zinc/35/31/27/929353127.db2.gz TYIJIRIXBJIRLT-OGHDWDKZSA-N 1 0 288.347 1.129 20 10 CDCDRO COC(=O)CN1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000862476636 929418938 /nfs/dbraw/zinc/41/89/38/929418938.db2.gz WZQHFBOFYRLTFH-UHFFFAOYSA-N 1 0 292.379 1.428 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC34CC4)cc2)CC1 ZINC000881853268 929907648 /nfs/dbraw/zinc/90/76/48/929907648.db2.gz OXOSKKUZVSHMNF-MRXNPFEDSA-N 1 0 299.418 1.855 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000799348712 937386487 /nfs/dbraw/zinc/38/64/87/937386487.db2.gz LOUGFDZNAYJIRG-GOSISDBHSA-N 1 0 269.366 1.402 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CCOC)cc1 ZINC000884194058 930475840 /nfs/dbraw/zinc/47/58/40/930475840.db2.gz YDTXIQBKLOBXFN-HNNXBMFYSA-N 1 0 293.411 1.513 20 10 CDCDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccccc1NC ZINC001170875382 930583864 /nfs/dbraw/zinc/58/38/64/930583864.db2.gz WVBHKGZUWKSLIF-ZWNOBZJWSA-N 1 0 263.341 1.291 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c(O)c1 ZINC000818000056 930652482 /nfs/dbraw/zinc/65/24/82/930652482.db2.gz DURAFLFDANLFGS-YGRLFVJLSA-N 1 0 280.368 1.636 20 10 CDCDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817979642 930655651 /nfs/dbraw/zinc/65/56/51/930655651.db2.gz CINCVFCBHITNRV-CZUORRHYSA-N 1 0 277.412 1.782 20 10 CDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818942329 930739496 /nfs/dbraw/zinc/73/94/96/930739496.db2.gz YZXSFKVCOAWYJI-HNNXBMFYSA-N 1 0 266.385 1.630 20 10 CDCDRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccccc1O ZINC000886229556 930831926 /nfs/dbraw/zinc/83/19/26/930831926.db2.gz ROCAYSMPNDEALI-STQMWFEESA-N 1 0 251.326 1.412 20 10 CDCDRO O=C(CC[N@@H+]1CC[C@@H](F)C1)NCc1cc(O)ccc1O ZINC001153885506 937481090 /nfs/dbraw/zinc/48/10/90/937481090.db2.gz PNGDMYJJNKRKDU-LLVKDONJSA-N 1 0 282.315 1.148 20 10 CDCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000824708045 931480814 /nfs/dbraw/zinc/48/08/14/931480814.db2.gz CXDLVMAYVDHTQX-IUODEOHRSA-N 1 0 265.353 1.842 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000825196459 931496264 /nfs/dbraw/zinc/49/62/64/931496264.db2.gz HBJLNAWLDBCVTB-IAQYHMDHSA-N 1 0 297.351 1.303 20 10 CDCDRO CC[NH2+]CC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000844183399 931552834 /nfs/dbraw/zinc/55/28/34/931552834.db2.gz YYOPCSJNDJEFNA-UHFFFAOYSA-N 1 0 281.375 1.898 20 10 CDCDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1cn[nH]c1 ZINC000844191034 931554312 /nfs/dbraw/zinc/55/43/12/931554312.db2.gz OTBGRACUGQTDPD-UHFFFAOYSA-N 1 0 258.325 1.448 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)CSC)cc1 ZINC000844402290 931595622 /nfs/dbraw/zinc/59/56/22/931595622.db2.gz SEPUCMREHXHORY-AWEZNQCLSA-N 1 0 298.452 1.787 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCN(C3CCC3)CC2)c(O)c1 ZINC001144500113 931858030 /nfs/dbraw/zinc/85/80/30/931858030.db2.gz PEEZANYNJGUWFD-UHFFFAOYSA-N 1 0 278.352 1.474 20 10 CDCDRO CC[N@H+](CCN(C)C)Cc1c(O)cc(O)cc1O ZINC001144499812 931858684 /nfs/dbraw/zinc/85/86/84/931858684.db2.gz JUFUTLBHHQGUGR-UHFFFAOYSA-N 1 0 254.330 1.187 20 10 CDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514986 931878736 /nfs/dbraw/zinc/87/87/36/931878736.db2.gz AANLHEZWXBVGDJ-SECBINFHSA-N 1 0 251.282 1.214 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c1 ZINC001144515627 931880849 /nfs/dbraw/zinc/88/08/49/931880849.db2.gz SZPFRDLUGLWNCK-OTYXRUKQSA-N 1 0 265.309 1.414 20 10 CDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)ccc1O)C2 ZINC001275907381 932122471 /nfs/dbraw/zinc/12/24/71/932122471.db2.gz UFYUMZQCKNOFGJ-MFKMUULPSA-N 1 0 250.317 1.667 20 10 CDCDRO C[NH+](C)CCN1CCC12CN(Cc1cc(F)ccc1O)C2 ZINC001275912620 932124856 /nfs/dbraw/zinc/12/48/56/932124856.db2.gz DCHXIPAUDXHYIJ-UHFFFAOYSA-N 1 0 293.386 1.353 20 10 CDCDRO CC(C)(C)[NH2+]CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000934938635 934003663 /nfs/dbraw/zinc/00/36/63/934003663.db2.gz HRQUAAOSLLLBSV-UHFFFAOYSA-N 1 0 280.368 1.535 20 10 CDCDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(F)ccc2O)N1 ZINC000077472088 934513637 /nfs/dbraw/zinc/51/36/37/934513637.db2.gz UGBHWQIHUWXUAQ-ZDUSSCGKSA-N 1 0 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YSBOZSBRFZPXDT-LLVKDONJSA-N 1 0 250.298 1.275 20 10 CDCDRO Cc1cc(C[N@H+](C)CCn2cnnc2)ccc1N(C)C ZINC001308051768 956461457 /nfs/dbraw/zinc/46/14/57/956461457.db2.gz LPSBVNOZSSGJHO-UHFFFAOYSA-N 1 0 273.384 1.785 20 10 CDCDRO CC(C)(CC[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001335738023 959998799 /nfs/dbraw/zinc/99/87/99/959998799.db2.gz UUUBWLPSSNTBSY-UHFFFAOYSA-N 1 0 250.346 1.195 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC001336918400 960739000 /nfs/dbraw/zinc/73/90/00/960739000.db2.gz LDPGZKLJRFLQBN-ZDUSSCGKSA-N 1 0 262.357 1.210 20 10 CDCDRO C[NH2+]C1(C(=O)NCc2ccc(OC)cc2O)CCC1 ZINC001343659481 964084415 /nfs/dbraw/zinc/08/44/15/964084415.db2.gz JQRGNZCOVVZKTN-UHFFFAOYSA-N 1 0 264.325 1.159 20 10 CDCDRO C[C@H](C(=O)NCc1cccc(O)c1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001348048631 965800082 /nfs/dbraw/zinc/80/00/82/965800082.db2.gz VYKVYZPATFJBQY-GRYCIOLGSA-N 1 0 292.379 1.975 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001348111444 965825500 /nfs/dbraw/zinc/82/55/00/965825500.db2.gz WKPGWUCSEBWKLC-CYBMUJFWSA-N 1 0 291.395 1.785 20 10 CDCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cccc(O)c1O ZINC001352658348 967408712 /nfs/dbraw/zinc/40/87/12/967408712.db2.gz SVBXCHUSOXKTSA-QWRGUYRKSA-N 1 0 278.352 1.587 20 10 CDCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(N)cc2)C[C@H]1C ZINC001353539891 968056201 /nfs/dbraw/zinc/05/62/01/968056201.db2.gz PUYQRBZXEZEPJO-CHWSQXEVSA-N 1 0 290.411 1.893 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2F)cc1 ZINC001521145489 970263294 /nfs/dbraw/zinc/26/32/94/970263294.db2.gz VZGIOQITWUPVAG-JHJVBQTASA-N 1 0 265.332 1.227 20 10 CDCDRO C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C[NH2+]1 ZINC001576666345 1171483765 /nfs/dbraw/zinc/48/37/65/1171483765.db2.gz MOMBSSSLJRMVTC-MWLCHTKSSA-N 1 0 297.786 1.985 20 10 CDCDRO CCOC(=O)CN(Cc1ccccc1O)CC(C)(C)[NH3+] ZINC001577951347 1171777998 /nfs/dbraw/zinc/77/79/98/1171777998.db2.gz MRIFZNQRXFTHIS-UHFFFAOYSA-N 1 0 280.368 1.495 20 10 CDCDRO O=C(NCC[NH+]1CCCCC1)c1cccc(O)c1O ZINC000126322665 260350237 /nfs/dbraw/zinc/35/02/37/260350237.db2.gz WHHNLQAKAWSGOV-UHFFFAOYSA-N 1 0 264.325 1.314 20 10 CDCDRO C[C@H]([NH3+])CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001579477432 1172192873 /nfs/dbraw/zinc/19/28/73/1172192873.db2.gz ASLVKRQPEOJVIV-ZDUSSCGKSA-N 1 0 275.396 1.983 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000036795325 356884620 /nfs/dbraw/zinc/88/46/20/356884620.db2.gz MIRMYGNTVKUYMZ-GHMZBOCLSA-N 1 0 250.342 1.876 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180727845 357286711 /nfs/dbraw/zinc/28/67/11/357286711.db2.gz JJSYVBIJPXLJHB-ZDUSSCGKSA-N 1 0 257.305 1.408 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000180175208 357249701 /nfs/dbraw/zinc/24/97/01/357249701.db2.gz QAHUOPCXORWUSE-AWEZNQCLSA-N 1 0 265.353 1.674 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000180259097 357255699 /nfs/dbraw/zinc/25/56/99/357255699.db2.gz GRGJFSZYVCZWMW-UHFFFAOYSA-N 1 0 281.327 1.913 20 10 CDCDRO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N1CC[NH+](C)CC1 ZINC000185364255 357536497 /nfs/dbraw/zinc/53/64/97/357536497.db2.gz MHWWTYPFBQYYNT-CHWSQXEVSA-N 1 0 295.402 1.818 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1 ZINC000191181259 358118169 /nfs/dbraw/zinc/11/81/69/358118169.db2.gz IHPQFXDYBIKFGK-ZWNOBZJWSA-N 1 0 251.326 1.604 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c(O)c1 ZINC000294911970 199243540 /nfs/dbraw/zinc/24/35/40/199243540.db2.gz WOAFGCRPZUIHNT-WFASDCNBSA-N 1 0 265.353 1.811 20 10 CDCDRO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000179099779 366514693 /nfs/dbraw/zinc/51/46/93/366514693.db2.gz BHXKSIFUGUOGRU-AWEZNQCLSA-N 1 0 298.390 1.923 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297326847 200150281 /nfs/dbraw/zinc/15/02/81/200150281.db2.gz NRZKRUKGVYYTNV-GFCCVEGCSA-N 1 0 283.393 1.792 20 10 CDCDRO CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000171937064 365433334 /nfs/dbraw/zinc/43/33/34/365433334.db2.gz TVKRLTJQHSEFIG-LLVKDONJSA-N 1 0 250.342 1.739 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000183359170 365433399 /nfs/dbraw/zinc/43/33/99/365433399.db2.gz QLSCANNIEAUUKI-CYBMUJFWSA-N 1 0 291.395 1.262 20 10 CDCDRO CC[C@H]([NH2+][C@H](CO)COC)c1ccc(C)cc1O ZINC000281230435 367610157 /nfs/dbraw/zinc/61/01/57/367610157.db2.gz URNAZVVVFJGFGT-YPMHNXCESA-N 1 0 253.342 1.749 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282829541 368058125 /nfs/dbraw/zinc/05/81/25/368058125.db2.gz ZFUJIODWZZBXGB-LLVKDONJSA-N 1 0 267.348 1.316 20 10 CDCDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C)CO ZINC000293569081 378575513 /nfs/dbraw/zinc/57/55/13/378575513.db2.gz GXDVPWKJGWNMHW-VIFPVBQESA-N 1 0 284.312 1.512 20 10 CDCDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1C1CC1 ZINC000296785679 296343820 /nfs/dbraw/zinc/34/38/20/296343820.db2.gz KWTUHXGNJCPQPS-DGCLKSJQSA-N 1 0 272.348 1.732 20 10 CDCDRO CCC[N@H+](CCNS(C)(=O)=O)Cc1ccccc1O ZINC000107300433 390571880 /nfs/dbraw/zinc/57/18/80/390571880.db2.gz MLLRQNCBRLLJJD-UHFFFAOYSA-N 1 0 286.397 1.153 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1c(O)cccc1Cl ZINC000120213782 390866336 /nfs/dbraw/zinc/86/63/36/390866336.db2.gz AFBDBALIGIESBN-UHFFFAOYSA-N 1 0 270.760 1.907 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(OC)ccc1O ZINC000133414735 390902896 /nfs/dbraw/zinc/90/28/96/390902896.db2.gz YEADORAXCHNHPT-UHFFFAOYSA-N 1 0 269.341 1.496 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@](C)(O)c2ccco2)c1O ZINC000174531476 391123750 /nfs/dbraw/zinc/12/37/50/391123750.db2.gz ZDKIMGCLDWOSME-OAHLLOKOSA-N 1 0 277.320 1.991 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000179444423 391205580 /nfs/dbraw/zinc/20/55/80/391205580.db2.gz POWFHNUYDCOMMM-GFCCVEGCSA-N 1 0 294.395 1.793 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000179562252 391210458 /nfs/dbraw/zinc/21/04/58/391210458.db2.gz LPQUINVTVHRJFE-HNNXBMFYSA-N 1 0 276.380 1.689 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000193674542 391343960 /nfs/dbraw/zinc/34/39/60/391343960.db2.gz LVPQLTGFFHQNIK-LKFCYVNXSA-N 1 0 262.353 1.623 20 10 CDCDRO COc1cc(O)c(C[N@H+](CCO)C2CCC2)cc1OC ZINC000276082831 286239019 /nfs/dbraw/zinc/23/90/19/286239019.db2.gz UZSFRNOULWSEDT-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC000007340291 170277721 /nfs/dbraw/zinc/27/77/21/170277721.db2.gz UJLLUQGCZIYYCG-UHFFFAOYSA-N 1 0 261.369 1.465 20 10 CDCDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000186137699 262081180 /nfs/dbraw/zinc/08/11/80/262081180.db2.gz NGSVGDLZNGZKMC-JTQLQIEISA-N 1 0 264.325 1.802 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000188490794 262157255 /nfs/dbraw/zinc/15/72/55/262157255.db2.gz HSNFBXVHNPOTGI-LLVKDONJSA-N 1 0 250.342 1.657 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000187831257 263269938 /nfs/dbraw/zinc/26/99/38/263269938.db2.gz PVGKBRIJOXPROF-WLRWDXFRSA-N 1 0 285.409 1.990 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1OC ZINC000367838993 267121022 /nfs/dbraw/zinc/12/10/22/267121022.db2.gz IWWMTKLNKYQZFZ-GDNZZTSVSA-N 1 0 279.336 1.080 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000192124457 279410282 /nfs/dbraw/zinc/41/02/82/279410282.db2.gz DFQBCRJBBXOKLG-QWRGUYRKSA-N 1 0 277.368 1.461 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1O ZINC000272900313 328201265 /nfs/dbraw/zinc/20/12/65/328201265.db2.gz UYLMZRSTROEWSA-NHYWBVRUSA-N 1 0 265.353 1.830 20 10 CDCDRO CCCC[N@H+](CC(N)=O)Cc1cc(OCC)ccc1O ZINC000091950506 327187764 /nfs/dbraw/zinc/18/77/64/327187764.db2.gz RQWXZLUWNZPSRW-UHFFFAOYSA-N 1 0 280.368 1.878 20 10 CDCDRO Cc1cccc(C[NH2+]CCSCCCO)c1O ZINC000224792598 329246347 /nfs/dbraw/zinc/24/63/47/329246347.db2.gz SHRXMUWGTIEJJO-UHFFFAOYSA-N 1 0 255.383 1.906 20 10 CDCDRO O=C(CC[NH2+]Cc1c(O)cccc1Cl)N1CCOCC1 ZINC000134652706 334099233 /nfs/dbraw/zinc/09/92/33/334099233.db2.gz LCQYYJOBQNOMMW-UHFFFAOYSA-N 1 0 298.770 1.384 20 10 CDCDRO CCCNC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617115 519880197 /nfs/dbraw/zinc/88/01/97/519880197.db2.gz KUQHDSIDGYZWQH-VIFPVBQESA-N 1 0 254.305 1.708 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1OC ZINC000790936376 1162176226 /nfs/dbraw/zinc/17/62/26/1162176226.db2.gz FNJOCKQQTHFCFJ-AWEZNQCLSA-N 1 0 281.352 1.612 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCN(CCOC)C2)c1O ZINC000264647397 521372041 /nfs/dbraw/zinc/37/20/41/521372041.db2.gz WMLUWIMLXSDQHD-CQSZACIVSA-N 1 0 294.395 1.601 20 10 CDCDRO COc1c(O)c(C[N@H+]2CC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000278151231 521873206 /nfs/dbraw/zinc/87/32/06/521873206.db2.gz CGAWOFSPXHCKNM-JTQLQIEISA-N 1 0 282.296 1.530 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000071267956 522805205 /nfs/dbraw/zinc/80/52/05/522805205.db2.gz CQSPSABOYXBIHX-SMDDNHRTSA-N 1 0 252.358 1.411 20 10 CDCDRO C[N@H+](Cc1c(O)cccc1Cl)CC(C)(CO)CO ZINC000128061808 523158470 /nfs/dbraw/zinc/15/84/70/523158470.db2.gz VRXWSUKKIDSQLJ-UHFFFAOYSA-N 1 0 273.760 1.468 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1cccc(OC)c1O ZINC000061375431 523607178 /nfs/dbraw/zinc/60/71/78/523607178.db2.gz WQBWOFVFVJFIQM-UHFFFAOYSA-N 1 0 268.357 1.069 20 10 CDCDRO COCCN(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000061375649 523610232 /nfs/dbraw/zinc/61/02/32/523610232.db2.gz IWYKDWUTUYAOCU-LBPRGKRZSA-N 1 0 252.358 1.621 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)CC[NH+](C)C)cc1 ZINC000083058679 524060274 /nfs/dbraw/zinc/06/02/74/524060274.db2.gz UCSRPMMHAGPOIJ-UHFFFAOYSA-N 1 0 278.400 1.456 20 10 CDCDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000237677889 524108965 /nfs/dbraw/zinc/10/89/65/524108965.db2.gz JILCEFFORSYIRB-CYBMUJFWSA-N 1 0 275.396 1.802 20 10 CDCDRO C[C@H](CNC(=O)NCc1ccccc1O)[N@H+](C)C1CC1 ZINC000264302474 524418370 /nfs/dbraw/zinc/41/83/70/524418370.db2.gz OIQDUOUPCOPXGK-LLVKDONJSA-N 1 0 277.368 1.674 20 10 CDCDRO C[C@@H](CNC(=O)NCc1ccccc1O)C[NH+]1CCCC1 ZINC000299498714 524685808 /nfs/dbraw/zinc/68/58/08/524685808.db2.gz LEYYZVKBAWFPHO-ZDUSSCGKSA-N 1 0 291.395 1.923 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000279569611 525308019 /nfs/dbraw/zinc/30/80/19/525308019.db2.gz AILKJOXFBMQEJR-HNNXBMFYSA-N 1 0 279.336 1.858 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1C ZINC000292734252 525321864 /nfs/dbraw/zinc/32/18/64/525321864.db2.gz QFOGUQWMACOVAB-KGLIPLIRSA-N 1 0 265.353 1.639 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280306634 525349272 /nfs/dbraw/zinc/34/92/72/525349272.db2.gz NYXFYEVFMVBJKY-TZMCWYRMSA-N 1 0 265.353 1.435 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000038083400 525419095 /nfs/dbraw/zinc/41/90/95/525419095.db2.gz ILYMOGJWYUVPTK-QWHCGFSZSA-N 1 0 296.436 1.838 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c(O)c1C ZINC000273517862 525722199 /nfs/dbraw/zinc/72/21/99/525722199.db2.gz SVLBJHHOFYCOSC-CYBMUJFWSA-N 1 0 292.379 1.518 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@](F)(CO)C2)c1O ZINC000289915163 525941817 /nfs/dbraw/zinc/94/18/17/525941817.db2.gz VIUPPOQYGYAAJX-CQSZACIVSA-N 1 0 269.316 1.697 20 10 CDCDRO COc1cccc(C[NH2+]CCCc2cnn(C)n2)c1O ZINC000293109162 526016396 /nfs/dbraw/zinc/01/63/96/526016396.db2.gz YJEDTBAOIPLSAD-UHFFFAOYSA-N 1 0 276.340 1.252 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCCN1CCOCC1 ZINC000083551202 526362253 /nfs/dbraw/zinc/36/22/53/526362253.db2.gz BXZPCZIYZJWPST-UHFFFAOYSA-N 1 0 284.787 1.858 20 10 CDCDRO Oc1ccccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277683988 526372288 /nfs/dbraw/zinc/37/22/88/526372288.db2.gz PXEQSQUJUIFOOT-UHFFFAOYSA-N 1 0 284.363 1.941 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000730818588 575013194 /nfs/dbraw/zinc/01/31/94/575013194.db2.gz ZKGDEKGYYNXNPL-GFCCVEGCSA-N 1 0 280.368 1.211 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC000771929219 575637835 /nfs/dbraw/zinc/63/78/35/575637835.db2.gz VDFBZPFIZPOULA-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000773764126 575838191 /nfs/dbraw/zinc/83/81/91/575838191.db2.gz XNNXGTQEOQBANW-JQWIXIFHSA-N 1 0 278.352 1.097 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1OC ZINC000765794531 576055958 /nfs/dbraw/zinc/05/59/58/576055958.db2.gz DBYUWEQVNRPQIZ-PWSUYJOCSA-N 1 0 278.352 1.405 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCCCO1 ZINC000768442599 576283171 /nfs/dbraw/zinc/28/31/71/576283171.db2.gz MHRZRFJEGKCEAP-DOMZBBRYSA-N 1 0 293.363 1.819 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000761222492 576561052 /nfs/dbraw/zinc/56/10/52/576561052.db2.gz JMTCSJRTPRTJQD-UONOGXRCSA-N 1 0 265.353 1.984 20 10 CDCDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000758143122 577075160 /nfs/dbraw/zinc/07/51/60/577075160.db2.gz DVRWSKWOTVIJFS-MRXNPFEDSA-N 1 0 296.370 1.808 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000758505023 577112330 /nfs/dbraw/zinc/11/23/30/577112330.db2.gz KEJHZZPZVISVOA-NSHDSACASA-N 1 0 273.336 1.771 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000892039176 617434038 /nfs/dbraw/zinc/43/40/38/617434038.db2.gz RIDCDKVLHKBOKS-CTYIDZIISA-N 1 0 290.411 1.628 20 10 CDCDRO COc1ccc(C[N@H+](C)CC[C@@H](C)O)c(O)c1OC ZINC000892065646 617457545 /nfs/dbraw/zinc/45/75/45/617457545.db2.gz OQJQMTJKXOTXJB-SNVBAGLBSA-N 1 0 269.341 1.612 20 10 CDCDRO COc1ccc(C[NH2+][C@@](C)(CO)C2CC2)c(O)c1OC ZINC000893368785 617712416 /nfs/dbraw/zinc/71/24/16/617712416.db2.gz ZWGOGWFXXIUBHP-HNNXBMFYSA-N 1 0 281.352 1.660 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000892791964 617752056 /nfs/dbraw/zinc/75/20/56/617752056.db2.gz BWZHTIDCXNDRIB-SMDDNHRTSA-N 1 0 295.404 1.534 20 10 CDCDRO CCOCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000893428597 617873851 /nfs/dbraw/zinc/87/38/51/617873851.db2.gz WEVBTFVBOJUNAP-UHFFFAOYSA-N 1 0 269.341 1.878 20 10 CDCDRO CCOc1ccc(CN[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000841043904 618678607 /nfs/dbraw/zinc/67/86/07/618678607.db2.gz YZMXHKDNNFFIAI-LBPRGKRZSA-N 1 0 250.342 1.633 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000894198753 618687701 /nfs/dbraw/zinc/68/77/01/618687701.db2.gz HIWBQCMFUZLJSJ-CYBMUJFWSA-N 1 0 264.369 1.893 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000894210545 618724567 /nfs/dbraw/zinc/72/45/67/618724567.db2.gz DCBKEROHLVROHI-LLVKDONJSA-N 1 0 264.325 1.030 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](CO)C(C)C)c1O ZINC000894320428 618766710 /nfs/dbraw/zinc/76/67/10/618766710.db2.gz LOLLNCLAEFMOLZ-GFCCVEGCSA-N 1 0 253.342 1.816 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000894554110 618961740 /nfs/dbraw/zinc/96/17/40/618961740.db2.gz UMPNTQVWCMULEY-JTQLQIEISA-N 1 0 266.341 1.276 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2([C@H](C)O)CC2)c1O ZINC000895336823 619579941 /nfs/dbraw/zinc/57/99/41/619579941.db2.gz USGSELFNWYZQOA-JTQLQIEISA-N 1 0 251.326 1.712 20 10 CDCDRO Cc1ccc(C[NH2+]CC2CC3(C2)OCCO3)c(O)c1 ZINC000896909672 620299042 /nfs/dbraw/zinc/29/90/42/620299042.db2.gz WTFWUJRADHUNKK-UHFFFAOYSA-N 1 0 263.337 1.943 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000897679706 621065998 /nfs/dbraw/zinc/06/59/98/621065998.db2.gz KXKHNTXPXOHPPS-GZMMTYOYSA-N 1 0 282.296 1.122 20 10 CDCDRO [NH3+][C@H](CNCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841049640 621595608 /nfs/dbraw/zinc/59/56/08/621595608.db2.gz MPLURLNEHYFNDV-MRXNPFEDSA-N 1 0 275.396 1.350 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]Cc1cccnc1)OCO2 ZINC000042879503 626218283 /nfs/dbraw/zinc/21/82/83/626218283.db2.gz MDNXAODWCBVNEP-UHFFFAOYSA-N 1 0 258.277 1.806 20 10 CDCDRO [NH3+]C1(CNCc2ccc(N3CCOCC3)cc2)CC1 ZINC000904450814 626300877 /nfs/dbraw/zinc/30/08/77/626300877.db2.gz SXXQJONXTRFYKD-UHFFFAOYSA-N 1 0 261.369 1.104 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)CCOC2)cc1 ZINC000911667932 629387267 /nfs/dbraw/zinc/38/72/67/629387267.db2.gz UNKLDIXERKPFGR-GDBMZVCRSA-N 1 0 291.395 1.295 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000152881907 631416743 /nfs/dbraw/zinc/41/67/43/631416743.db2.gz KJDWFGFMLAEMIZ-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO c1ncn(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921605477 633098064 /nfs/dbraw/zinc/09/80/64/633098064.db2.gz BLTAHXVVGMGUKF-UHFFFAOYSA-N 1 0 258.325 1.393 20 10 CDCDRO C[S@](=O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921751837 633266427 /nfs/dbraw/zinc/26/64/27/633266427.db2.gz LCPFGIJSHPEYQG-SFHVURJKSA-N 1 0 267.394 1.870 20 10 CDCDRO CC[C@@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCO1 ZINC001170176922 1162293280 /nfs/dbraw/zinc/29/32/80/1162293280.db2.gz CXVDZQZEJDZTKU-VXGBXAGGSA-N 1 0 279.336 1.828 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000793229683 1162402075 /nfs/dbraw/zinc/40/20/75/1162402075.db2.gz BSEGDKCSHJQJRO-LRDDRELGSA-N 1 0 293.363 1.781 20 10 CDCDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2O)[nH]1 ZINC000793389029 1162417558 /nfs/dbraw/zinc/41/75/58/1162417558.db2.gz SZTYCFDWQUSICX-UHFFFAOYSA-N 1 0 290.319 1.805 20 10 CDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](O)CN(C)C)c1O ZINC000808693996 1162902509 /nfs/dbraw/zinc/90/25/09/1162902509.db2.gz XHULROOXHYNYJO-CMPLNLGQSA-N 1 0 286.803 1.927 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c1O ZINC000697615205 1160685574 /nfs/dbraw/zinc/68/55/74/1160685574.db2.gz YLBBRAQMBSZHMX-SNVBAGLBSA-N 1 0 287.381 1.314 20 10 CDCDRO Cn1nccc1CCN1CCCc2cc(C[NH3+])ccc21 ZINC000700898433 1161506961 /nfs/dbraw/zinc/50/69/61/1161506961.db2.gz GULXWLYOPKEOMM-UHFFFAOYSA-N 1 0 270.380 1.874 20 10 CDCDRO CS(=O)(=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037740860 1165788520 /nfs/dbraw/zinc/78/85/20/1165788520.db2.gz NFCSREJFBQJADH-UHFFFAOYSA-N 1 0 282.409 1.421 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000877000182 1165957621 /nfs/dbraw/zinc/95/76/21/1165957621.db2.gz LGYGKGVSKUWILO-CYBMUJFWSA-N 1 0 265.353 1.578 20 10 CDCDRO CCCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825913 1165980107 /nfs/dbraw/zinc/98/01/07/1165980107.db2.gz GPUWKWBNVBSSKD-CQSZACIVSA-N 1 0 263.385 1.886 20 10 CDCDRO Cc1ccc(C[NH2+]CCN2CCOC[C@@H]2C)c(O)c1 ZINC000877150243 1165983581 /nfs/dbraw/zinc/98/35/81/1165983581.db2.gz MVBVGBPWWLZQQH-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877178009 1165988910 /nfs/dbraw/zinc/98/89/10/1165988910.db2.gz YUDJRRYDLOLECH-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001576245004 1171370705 /nfs/dbraw/zinc/37/07/05/1171370705.db2.gz NEZCERYCQUFYKD-GHMZBOCLSA-N 1 0 279.340 1.778 20 10 CDCDRO [NH3+]Cc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001580343726 1172409443 /nfs/dbraw/zinc/40/94/43/1172409443.db2.gz JPYJUKKJSVIWNO-UHFFFAOYSA-N 1 0 286.331 1.415 20 10 CDCDRO Cc1cc(NCc2c(O)cccc2O)c(-c2nn[nH]n2)c[nH+]1 ZINC001592052638 1173788495 /nfs/dbraw/zinc/78/84/95/1173788495.db2.gz RFMOHSPHOPKDMN-UHFFFAOYSA-N 1 0 298.306 1.015 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2ccc(OC)cc2O)CC1 ZINC000155361375 1178160661 /nfs/dbraw/zinc/16/06/61/1178160661.db2.gz NZANNUJSQYPXIK-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000866457318 1164783750 /nfs/dbraw/zinc/78/37/50/1164783750.db2.gz MECFJIAOLYRQME-VIFPVBQESA-N 1 0 290.360 1.121 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)c2c1c(F)ccc2O ZINC000872141221 1165383853 /nfs/dbraw/zinc/38/38/53/1165383853.db2.gz QYQDHCQDEOQGLF-UORFTKCHSA-N 1 0 281.327 1.819 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000876653376 1165886745 /nfs/dbraw/zinc/88/67/45/1165886745.db2.gz YTJCLVXLIQZASL-KGLIPLIRSA-N 1 0 274.364 1.944 20 10 CDCDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877048648 1165965049 /nfs/dbraw/zinc/96/50/49/1165965049.db2.gz NRAZQAPSEHQUMZ-GXFFZTMASA-N 1 0 255.383 1.903 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)c(O)c1 ZINC000877330388 1166018461 /nfs/dbraw/zinc/01/84/61/1166018461.db2.gz BQIBSQAXXPFHBN-CQSZACIVSA-N 1 0 262.353 1.217 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000877472182 1166045325 /nfs/dbraw/zinc/04/53/25/1166045325.db2.gz MEFBDOHVRTWSGF-CYBMUJFWSA-N 1 0 274.364 1.897 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)cc1OC ZINC000877811101 1166105139 /nfs/dbraw/zinc/10/51/39/1166105139.db2.gz CYGKMJCKLQOFQZ-HOMQSWHASA-N 1 0 267.325 1.270 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)ccc1N(C)C ZINC000878982274 1166279061 /nfs/dbraw/zinc/27/90/61/1166279061.db2.gz YPTJDKUVAWXTSM-ZBFHGGJFSA-N 1 0 278.396 1.379 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173769533 912830153 /nfs/dbraw/zinc/83/01/53/912830153.db2.gz NBGYLACBUMDKLX-KBPBESRZSA-N 1 0 287.367 1.994 20 10 CDCDRO O=C(NCc1cccc(Cl)c1O)C12CC[NH+](CC1)C2 ZINC000890761514 894776601 /nfs/dbraw/zinc/77/66/01/894776601.db2.gz UOXGSJXKDJMHNC-UHFFFAOYSA-N 1 0 280.755 1.758 20 10 CDCDRO C[C@@]1(O)COCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337728 895815708 /nfs/dbraw/zinc/81/57/08/895815708.db2.gz BEHMXIWABQBNKF-ZDUSSCGKSA-N 1 0 271.744 1.629 20 10 CDCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000235437002 898057839 /nfs/dbraw/zinc/05/78/39/898057839.db2.gz KBCZLPMPKXCBGL-CYBMUJFWSA-N 1 0 268.744 1.743 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000382544464 898672888 /nfs/dbraw/zinc/67/28/88/898672888.db2.gz CJACSTMKOQSRBE-QMTHXVAHSA-N 1 0 269.341 1.449 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(Cl)c1 ZINC001140922101 898880965 /nfs/dbraw/zinc/88/09/65/898880965.db2.gz HHAFIDOHZNISGH-WFASDCNBSA-N 1 0 298.814 1.581 20 10 CDCDRO CCN(CC[NH+](C)C)Cc1ccc2c(c1)OCCN2C ZINC001141139032 899775095 /nfs/dbraw/zinc/77/50/95/899775095.db2.gz GZVVNLNCUZIPGU-UHFFFAOYSA-N 1 0 277.412 1.899 20 10 CDCDRO C[NH2+]CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002534 901159308 /nfs/dbraw/zinc/15/93/08/901159308.db2.gz BOHNQSMJLQPLJL-CQSZACIVSA-N 1 0 292.379 1.509 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cccc(OC(F)(F)F)c1O)C2 ZINC001236020905 914547063 /nfs/dbraw/zinc/54/70/63/914547063.db2.gz ABVCHWOOQKAJAK-CABZTGNLSA-N 1 0 288.269 1.824 20 10 CDCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC000092705832 902206662 /nfs/dbraw/zinc/20/66/62/902206662.db2.gz NVRGTCCEEVPGAJ-CYBMUJFWSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1 ZINC000249781510 902484225 /nfs/dbraw/zinc/48/42/25/902484225.db2.gz CYWPBHSFQUMRHU-ZWNOBZJWSA-N 1 0 251.326 1.604 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC(C)(C)[NH3+])cc1F ZINC000237056486 902632942 /nfs/dbraw/zinc/63/29/42/902632942.db2.gz QTZWFDRPSRDZSS-UHFFFAOYSA-N 1 0 267.348 1.635 20 10 CDCDRO CC1([NH3+])CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001204974268 905251625 /nfs/dbraw/zinc/25/16/25/905251625.db2.gz QNKYLQWVDUEIPS-UHFFFAOYSA-N 1 0 261.369 1.056 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921948075 921182242 /nfs/dbraw/zinc/18/22/42/921182242.db2.gz MZYITBDOXCRKBY-AWEZNQCLSA-N 1 0 265.353 1.499 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CCO1 ZINC001168078151 906733047 /nfs/dbraw/zinc/73/30/47/906733047.db2.gz KOQWUPIJIUUILP-CMPLNLGQSA-N 1 0 251.326 1.797 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922166828 921306394 /nfs/dbraw/zinc/30/63/94/921306394.db2.gz JVLGYFOWVYJFDF-GDBMZVCRSA-N 1 0 277.364 1.905 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH3+])cc1 ZINC000841719295 908126393 /nfs/dbraw/zinc/12/63/93/908126393.db2.gz IEYIIYQDFCVXRU-UHFFFAOYSA-N 1 0 264.373 1.291 20 10 CDCDRO Nc1ccc(CCNC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000841923164 908816720 /nfs/dbraw/zinc/81/67/20/908816720.db2.gz YQXKUMAOUYFNRM-UHFFFAOYSA-N 1 0 290.411 1.772 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000841943964 908828222 /nfs/dbraw/zinc/82/82/22/908828222.db2.gz RXCRAVSUONXAJF-GWCFXTLKSA-N 1 0 295.383 1.744 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841999750 908850485 /nfs/dbraw/zinc/85/04/85/908850485.db2.gz JIQRORNYVDOLBV-FICVDOATSA-N 1 0 288.395 1.112 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1ccccc1O ZINC000323032892 909042903 /nfs/dbraw/zinc/04/29/03/909042903.db2.gz MSXRYVBJQAFVHM-CMPLNLGQSA-N 1 0 250.342 1.958 20 10 CDCDRO O[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922306850 921501093 /nfs/dbraw/zinc/50/10/93/921501093.db2.gz CDSZRVXYULGSCN-ZIAGYGMSSA-N 1 0 263.337 1.251 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000037267759 910655141 /nfs/dbraw/zinc/65/51/41/910655141.db2.gz FBFQDOKRBYBIGF-NWDGAFQWSA-N 1 0 263.385 1.880 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228937322 912012875 /nfs/dbraw/zinc/01/28/75/912012875.db2.gz FFIRQFPHNPDYJO-NSHDSACASA-N 1 0 262.353 1.624 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[C@H](C[NH3+])C2)c1O ZINC000229102653 912065291 /nfs/dbraw/zinc/06/52/91/912065291.db2.gz YILYBYQZBRBXMC-SECBINFHSA-N 1 0 270.760 1.835 20 10 CDCDRO COc1cc(Cl)cc(CN2CCN(C)C[C@@H]2C[NH3+])c1O ZINC000229104529 912066408 /nfs/dbraw/zinc/06/64/08/912066408.db2.gz DIJZQZYJPLADPQ-LBPRGKRZSA-N 1 0 299.802 1.129 20 10 CDCDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001172925367 912068877 /nfs/dbraw/zinc/06/88/77/912068877.db2.gz XWCXLJCHHWWMTM-NWDGAFQWSA-N 1 0 281.352 1.893 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](C)[NH3+])c1 ZINC000828666156 936383096 /nfs/dbraw/zinc/38/30/96/936383096.db2.gz ATAQORDWBOPCAP-DTWKUNHWSA-N 1 0 252.314 1.315 20 10 CDCDRO [NH3+]C1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000830597449 936464154 /nfs/dbraw/zinc/46/41/54/936464154.db2.gz JEXKAVHPCOUHEF-UHFFFAOYSA-N 1 0 274.364 1.769 20 10 CDCDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004332 936472925 /nfs/dbraw/zinc/47/29/25/936472925.db2.gz FNXUSCQMJOMQML-ZDUSSCGKSA-N 1 0 297.349 1.886 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000827001391 936471743 /nfs/dbraw/zinc/47/17/43/936471743.db2.gz VMYAYNFUYZPDDN-AWEZNQCLSA-N 1 0 290.363 1.981 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(O)c1 ZINC000831037798 936488574 /nfs/dbraw/zinc/48/85/74/936488574.db2.gz CQNGTMPQPLTNCS-ZWNOBZJWSA-N 1 0 278.352 1.357 20 10 CDCDRO COc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000832178029 936563319 /nfs/dbraw/zinc/56/33/19/936563319.db2.gz LAUSWFYUYANZPV-NSHDSACASA-N 1 0 264.325 1.159 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000827700013 936604632 /nfs/dbraw/zinc/60/46/32/936604632.db2.gz NXJGWVWPNUUKOU-XHDPSFHLSA-N 1 0 265.353 1.851 20 10 CDCDRO O=C1OCCN1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000827741627 936605817 /nfs/dbraw/zinc/60/58/17/936605817.db2.gz XZPSKVXOMZAPLQ-UHFFFAOYSA-N 1 0 276.336 1.809 20 10 CDCDRO COc1cc(CN2CC(C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139253046 936611792 /nfs/dbraw/zinc/61/17/92/936611792.db2.gz JWJOCWPYQNYULT-UHFFFAOYSA-N 1 0 280.368 1.029 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1O ZINC000384563458 936621362 /nfs/dbraw/zinc/62/13/62/936621362.db2.gz ICMGKCAIUOJERD-FICVDOATSA-N 1 0 292.354 1.726 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000775108864 920450547 /nfs/dbraw/zinc/45/05/47/920450547.db2.gz OUZGPUISIMPLGS-SKDRFNHKSA-N 1 0 296.323 1.512 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140180133 936684275 /nfs/dbraw/zinc/68/42/75/936684275.db2.gz SUJCLSBUAKMPJK-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@H](CO)C2)c1O ZINC001140178268 936684291 /nfs/dbraw/zinc/68/42/91/936684291.db2.gz GGRYEDKNMIIXTM-LBPRGKRZSA-N 1 0 251.326 1.202 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1O ZINC001140182732 936685041 /nfs/dbraw/zinc/68/50/41/936685041.db2.gz YJOWWEJOVZGUOR-JSGCOSHPSA-N 1 0 274.364 1.577 20 10 CDCDRO CN1CCO[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]21 ZINC001140462902 936712774 /nfs/dbraw/zinc/71/27/74/936712774.db2.gz NRAVYOPECSCELC-OCCSQVGLSA-N 1 0 282.771 1.560 20 10 CDCDRO CC(C)[C@H](C(=O)NCc1ccccc1O)[C@H](C)[NH3+] ZINC000399493188 936715137 /nfs/dbraw/zinc/71/51/37/936715137.db2.gz HJQRMHBVWILEEA-GWCFXTLKSA-N 1 0 250.342 1.628 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCc1cnc(C)cn1 ZINC000835060110 936715699 /nfs/dbraw/zinc/71/56/99/936715699.db2.gz AMUMMMIZFJAFKC-UHFFFAOYSA-N 1 0 273.336 1.832 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@](C)(O)C2)c1 ZINC001140619352 936731526 /nfs/dbraw/zinc/73/15/26/936731526.db2.gz BSRLLMKKOWOSDR-AWEZNQCLSA-N 1 0 251.326 1.284 20 10 CDCDRO COC[C@H]1CCN1Cc1ccc(N2CCOCC2)cc1F ZINC001140667509 936736930 /nfs/dbraw/zinc/73/69/30/936736930.db2.gz VOSVJEBYSOZOEI-OAHLLOKOSA-N 1 0 294.370 1.883 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744457 936748867 /nfs/dbraw/zinc/74/88/67/936748867.db2.gz YAJJPCULGSFMDE-NSHDSACASA-N 1 0 265.309 1.401 20 10 CDCDRO Cc1c(O)ccc(CN2CCC[C@H]([NH+](C)C)C2)c1O ZINC001140746061 936748873 /nfs/dbraw/zinc/74/88/73/936748873.db2.gz UEMVZXUSHNKZML-ZDUSSCGKSA-N 1 0 264.369 1.932 20 10 CDCDRO Cc1c(O)ccc(CN2CC[NH+](CC(C)(C)O)CC2)c1O ZINC001140750897 936750297 /nfs/dbraw/zinc/75/02/97/936750297.db2.gz BLPNMAZYPYNYQW-UHFFFAOYSA-N 1 0 294.395 1.295 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1C ZINC000704343259 922870428 /nfs/dbraw/zinc/87/04/28/922870428.db2.gz SWVAXEUDWZGQTQ-ZDUSSCGKSA-N 1 0 262.353 1.714 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@H]2C)c(OC)c1 ZINC001141028966 936794357 /nfs/dbraw/zinc/79/43/57/936794357.db2.gz FTIAQOYOXNPTPE-MNOVXSKESA-N 1 0 281.352 1.755 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843413552 923276416 /nfs/dbraw/zinc/27/64/16/923276416.db2.gz SQKUOJAIQUNCQV-BETUJISGSA-N 1 0 262.353 1.868 20 10 CDCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141161873 936823258 /nfs/dbraw/zinc/82/32/58/936823258.db2.gz HBBYKXUNERQQJK-GFCCVEGCSA-N 1 0 278.352 1.588 20 10 CDCDRO CC1(CO)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839144888 936906655 /nfs/dbraw/zinc/90/66/55/936906655.db2.gz CDGPGYZJPHFTNL-UHFFFAOYSA-N 1 0 276.380 1.337 20 10 CDCDRO COCC1(C)C[NH+](Cc2cccc(OC)c2O)C1 ZINC000839145963 936906713 /nfs/dbraw/zinc/90/67/13/936906713.db2.gz XPOVIRYGBYXUHT-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCNC2=O)c1 ZINC000839196720 936908714 /nfs/dbraw/zinc/90/87/14/936908714.db2.gz XRYWPPWVROSHBC-JTQLQIEISA-N 1 0 264.325 1.017 20 10 CDCDRO C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000775638436 924467189 /nfs/dbraw/zinc/46/71/89/924467189.db2.gz DERPXKKUYSQLGO-QMMMGPOBSA-N 1 0 258.724 1.978 20 10 CDCDRO [NH3+][C@@H]1CCN(c2ccc3c(c2)C(=O)N(C2CC2)C3)C1 ZINC001164281400 924744629 /nfs/dbraw/zinc/74/46/29/924744629.db2.gz AWNOHSYIHMTHBI-LLVKDONJSA-N 1 0 257.337 1.342 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000840913172 936967234 /nfs/dbraw/zinc/96/72/34/936967234.db2.gz STOARYONUNXARU-INIZCTEOSA-N 1 0 287.407 1.868 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(C)(CO)CO ZINC000840918658 936968090 /nfs/dbraw/zinc/96/80/90/936968090.db2.gz XHSUUTICVFWNNY-UHFFFAOYSA-N 1 0 280.412 1.484 20 10 CDCDRO [NH3+]CC[C@H](NCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000841090212 936975359 /nfs/dbraw/zinc/97/53/59/936975359.db2.gz GXIRIYGUFFUWPF-LBPRGKRZSA-N 1 0 274.286 1.991 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OC ZINC000841050165 936973789 /nfs/dbraw/zinc/97/37/89/936973789.db2.gz YOXPGTVECZIYED-GFCCVEGCSA-N 1 0 266.385 1.916 20 10 CDCDRO CCOCc1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC ZINC000841077160 936974815 /nfs/dbraw/zinc/97/48/15/936974815.db2.gz BRMVYPOFTVSUQM-FOLVSLTJSA-N 1 0 276.380 1.539 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000841079192 936974934 /nfs/dbraw/zinc/97/49/34/936974934.db2.gz MUKFYHLKBUPJDT-QWRGUYRKSA-N 1 0 254.305 1.190 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000841828530 937016134 /nfs/dbraw/zinc/01/61/34/937016134.db2.gz VAWJZXFJHROHFU-OAHLLOKOSA-N 1 0 292.427 1.844 20 10 CDCDRO CC(C)(C[NH3+])NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841832732 937016943 /nfs/dbraw/zinc/01/69/43/937016943.db2.gz RNLDTDQXRVPZGU-UHFFFAOYSA-N 1 0 288.395 1.599 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000841938680 937023910 /nfs/dbraw/zinc/02/39/10/937023910.db2.gz GUBHSRKYYQBXCO-ZDUSSCGKSA-N 1 0 277.368 1.676 20 10 CDCDRO CCC([NH3+])(CC)CNC(=O)NCCc1ccc(N)cc1 ZINC000841950688 937024422 /nfs/dbraw/zinc/02/44/22/937024422.db2.gz BLWQSMRXFRBYCT-UHFFFAOYSA-N 1 0 278.400 1.628 20 10 CDCDRO CC[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000378803816 925778823 /nfs/dbraw/zinc/77/88/23/925778823.db2.gz VQFSOWKBJSOTFK-AWEZNQCLSA-N 1 0 265.309 1.780 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC[C@H]2OC)c1 ZINC000842752731 937077226 /nfs/dbraw/zinc/07/72/26/937077226.db2.gz SXJMEWMJHFMENO-TZMCWYRMSA-N 1 0 267.325 1.294 20 10 CDCDRO C[NH2+][C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000843348604 937141322 /nfs/dbraw/zinc/14/13/22/937141322.db2.gz SMVXNCFGHUSTJM-ZDUSSCGKSA-N 1 0 280.343 1.918 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843390120 937144696 /nfs/dbraw/zinc/14/46/96/937144696.db2.gz HPNRJMKQXVGKCX-ZDUSSCGKSA-N 1 0 278.352 1.119 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843433833 937149345 /nfs/dbraw/zinc/14/93/45/937149345.db2.gz DZSRJBXOVYCMKW-KBPBESRZSA-N 1 0 293.363 1.365 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843488047 937155597 /nfs/dbraw/zinc/15/55/97/937155597.db2.gz OECMBNCJTHMIOS-BMFZPTHFSA-N 1 0 287.407 1.852 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850287117 927408547 /nfs/dbraw/zinc/40/85/47/927408547.db2.gz SVSZXDINVIZVBK-GFCCVEGCSA-N 1 0 297.395 1.795 20 10 CDCDRO COc1cc(C[NH2+]C[C@@H](O)CO)c(O)c(C(C)(C)C)c1 ZINC000850282209 927408979 /nfs/dbraw/zinc/40/89/79/927408979.db2.gz RTXJEJYPZFQVJF-LLVKDONJSA-N 1 0 283.368 1.141 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000109771000 927521963 /nfs/dbraw/zinc/52/19/63/927521963.db2.gz GDSZZUAIAGXRKT-UHFFFAOYSA-N 1 0 274.320 1.733 20 10 CDCDRO C[C@H]([NH2+]CCc1cn[nH]n1)c1ccc(N(C)C)cc1 ZINC000851949833 927671574 /nfs/dbraw/zinc/67/15/74/927671574.db2.gz JXDFXHTVBGRESS-NSHDSACASA-N 1 0 259.357 1.764 20 10 CDCDRO CCC(F)(F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791609 927873068 /nfs/dbraw/zinc/87/30/68/927873068.db2.gz KOVRZGZXLFERPA-GFCCVEGCSA-N 1 0 285.338 1.914 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000780787247 937204712 /nfs/dbraw/zinc/20/47/12/937204712.db2.gz TWOHPQDKDGQOPD-WDEREUQCSA-N 1 0 251.326 1.604 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)CC1=CCCOC1 ZINC000853561434 928043012 /nfs/dbraw/zinc/04/30/12/928043012.db2.gz CQJSBPANSHDJRM-UHFFFAOYSA-N 1 0 277.320 1.899 20 10 CDCDRO CCc1cccc(C[NH2+]CC(C)(C)C(=O)NC)c1O ZINC000691435157 928621541 /nfs/dbraw/zinc/62/15/41/928621541.db2.gz NYHBIFQHZNTZTO-UHFFFAOYSA-N 1 0 264.369 1.816 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCn2cncn2)cc1F ZINC000858112400 928806522 /nfs/dbraw/zinc/80/65/22/928806522.db2.gz LJUMJFIHQNQCMQ-UHFFFAOYSA-N 1 0 281.310 1.412 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1=O ZINC000858173278 928814979 /nfs/dbraw/zinc/81/49/79/928814979.db2.gz YAVZNOIDRDBAAI-NSHDSACASA-N 1 0 297.349 1.741 20 10 CDCDRO CCn1nncc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000858440628 928864799 /nfs/dbraw/zinc/86/47/99/928864799.db2.gz ZQOXAPWJTDTSQI-JTQLQIEISA-N 1 0 276.340 1.863 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000858602397 928894817 /nfs/dbraw/zinc/89/48/17/928894817.db2.gz YGOPQKISAWKLLZ-STQMWFEESA-N 1 0 264.369 1.418 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccccc1O ZINC000858602402 928895027 /nfs/dbraw/zinc/89/50/27/928895027.db2.gz YJQSJHWTQCSTOA-JSGCOSHPSA-N 1 0 264.369 1.500 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCC[S@@](C)=O)cc1F ZINC000116919528 929054856 /nfs/dbraw/zinc/05/48/56/929054856.db2.gz CWCNJSWJWLYTEX-SFHVURJKSA-N 1 0 272.389 1.750 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000784621381 937305672 /nfs/dbraw/zinc/30/56/72/937305672.db2.gz OYYLCRAGMCTFIV-LLVKDONJSA-N 1 0 299.392 1.458 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)CC1(C)COC1 ZINC000862476547 929418396 /nfs/dbraw/zinc/41/83/96/929418396.db2.gz CUKPZJNNXGHQJZ-UHFFFAOYSA-N 1 0 265.309 1.589 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000211419257 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COC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000884485342 930580731 /nfs/dbraw/zinc/58/07/31/930580731.db2.gz VCSVESHOUKPVOO-ZDUSSCGKSA-N 1 0 278.352 1.939 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CCO1 ZINC000817944306 930641194 /nfs/dbraw/zinc/64/11/94/930641194.db2.gz ZAZRVSYAPNGRNO-XPKDYRNWSA-N 1 0 277.412 1.910 20 10 CDCDRO C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817967622 930653942 /nfs/dbraw/zinc/65/39/42/930653942.db2.gz KPWNNAUPQDDHPW-SNVBAGLBSA-N 1 0 277.324 1.871 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCO2)c(O)c1C ZINC000817983603 930657548 /nfs/dbraw/zinc/65/75/48/930657548.db2.gz OOFIKZGLGXPUEF-OLZOCXBDSA-N 1 0 264.369 1.648 20 10 CDCDRO O=C1NCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000886323590 930860211 /nfs/dbraw/zinc/86/02/11/930860211.db2.gz AKPYWQPCPASSMT-UHFFFAOYSA-N 1 0 269.732 1.160 20 10 CDCDRO C[NH+](C)CC1(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000821061866 931003123 /nfs/dbraw/zinc/00/31/23/931003123.db2.gz 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294.351 1.207 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@H+]1CCC(=O)N(C)CC1 ZINC001231853866 943030804 /nfs/dbraw/zinc/03/08/04/943030804.db2.gz SOXZKMQJYDUHAA-UHFFFAOYSA-N 1 0 291.395 1.425 20 10 CDCDRO C[N@@H+](Cc1cc(Cl)c(O)cc1O)CC1COC1 ZINC001232266981 943197647 /nfs/dbraw/zinc/19/76/47/943197647.db2.gz GWHVJQXQDHYPHA-UHFFFAOYSA-N 1 0 257.717 1.829 20 10 CDCDRO CCC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232834684 943413130 /nfs/dbraw/zinc/41/31/30/943413130.db2.gz JMCRXIHMUVZZBZ-UHFFFAOYSA-N 1 0 291.395 1.512 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001232835784 943414618 /nfs/dbraw/zinc/41/46/18/943414618.db2.gz IAUFXGQGRYUXMZ-INIZCTEOSA-N 1 0 289.379 1.170 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418666 943581387 /nfs/dbraw/zinc/58/13/87/943581387.db2.gz QDDMNMDBGXBWOB-SECBINFHSA-N 1 0 288.269 1.718 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCCO1 ZINC001233482993 943591286 /nfs/dbraw/zinc/59/12/86/943591286.db2.gz 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/nfs/dbraw/zinc/45/80/63/944458063.db2.gz USDRKAOTAZYJOV-GXSJLCMTSA-N 1 0 268.744 1.458 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC([C@@H](C)OC)C2)cc1OC ZINC001236753043 944558142 /nfs/dbraw/zinc/55/81/42/944558142.db2.gz GEBWWHUSOFGWES-SNVBAGLBSA-N 1 0 281.352 1.876 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(O)c1 ZINC001236784631 944567313 /nfs/dbraw/zinc/56/73/13/944567313.db2.gz XLCFOVOEZNGZDJ-HIFRSBDPSA-N 1 0 265.353 1.130 20 10 CDCDRO CC[N@H+](Cc1c(C)cc(OC)cc1O)C1COC1 ZINC001236810140 944574989 /nfs/dbraw/zinc/57/49/89/944574989.db2.gz CIKFZVQIFYHRNO-UHFFFAOYSA-N 1 0 251.326 1.930 20 10 CDCDRO COc1cc(C)c(C[NH+]2CC(N3CC[C@H](F)C3)C2)c(O)c1 ZINC001236811652 944577156 /nfs/dbraw/zinc/57/71/56/944577156.db2.gz UXBLMKQVEQTALC-LBPRGKRZSA-N 1 0 294.370 1.937 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1c(C)cc(OC)cc1O ZINC001236813353 944577868 /nfs/dbraw/zinc/57/78/68/944577868.db2.gz IVZYLOWMKUGLOY-UHFFFAOYSA-N 1 0 266.341 1.407 20 10 CDCDRO O=C1CN(Cc2cc3ccccc3cc2O)CCN1 ZINC001236841293 944590639 /nfs/dbraw/zinc/59/06/39/944590639.db2.gz YADZKCJNNDPOBJ-UHFFFAOYSA-N 1 0 256.305 1.477 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1cc(O)c(Br)cc1O ZINC001236909013 944613765 /nfs/dbraw/zinc/61/37/65/944613765.db2.gz NUJPXAHDQLUZCQ-ZETCQYMHSA-N 1 0 289.173 1.639 20 10 CDCDRO Nc1ccc(CN2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001236980698 944630983 /nfs/dbraw/zinc/63/09/83/944630983.db2.gz KBQOVEZIOXATFW-LLVKDONJSA-N 1 0 259.275 1.605 20 10 CDCDRO COC[C@@H]1COCCN1Cc1cc(F)cc(C)c1O ZINC001238066081 945048670 /nfs/dbraw/zinc/04/86/70/945048670.db2.gz HQJMJJWFKJHMGY-CYBMUJFWSA-N 1 0 269.316 1.687 20 10 CDCDRO COC(=O)[C@H]1CN(C)CCN1Cc1cc(F)cc(C)c1O ZINC001238065839 945049440 /nfs/dbraw/zinc/04/94/40/945049440.db2.gz FRADAECBBGZOTO-CYBMUJFWSA-N 1 0 296.342 1.129 20 10 CDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000841026024 945828378 /nfs/dbraw/zinc/82/83/78/945828378.db2.gz QBHRMDGZLUDCRB-CZUORRHYSA-N 1 0 275.396 1.445 20 10 CDCDRO Cn1ccc(-c2cnc3[nH]cc(C[NH+](C)C)c3c2)cc1=O ZINC001240996352 946137589 /nfs/dbraw/zinc/13/75/89/946137589.db2.gz WFSNSPXAWOFGFH-UHFFFAOYSA-N 1 0 282.347 1.990 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCc3cc(C(N)=O)[nH]c3C2)c1O ZINC001278354642 946921981 /nfs/dbraw/zinc/92/19/81/946921981.db2.gz NCHDLOHCDPVHJL-UHFFFAOYSA-N 1 0 299.374 1.994 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+]C2Cc3ccccc3C2)cc1O ZINC001255010625 947690507 /nfs/dbraw/zinc/69/05/07/947690507.db2.gz GDOKJGAPBZWCDP-KRWDZBQOSA-N 1 0 285.343 1.888 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001257035553 948490837 /nfs/dbraw/zinc/49/08/37/948490837.db2.gz CLVJLVIWRIFJLA-QWHCGFSZSA-N 1 0 293.363 1.962 20 10 CDCDRO O=C(C[NH2+][C@@H]1CCCSC1)c1ccc(O)c(O)c1 ZINC001257663438 948620675 /nfs/dbraw/zinc/62/06/75/948620675.db2.gz ZAQHFPXZVFPPNK-SNVBAGLBSA-N 1 0 267.350 1.766 20 10 CDCDRO CCOC[C@@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001252029225 951069903 /nfs/dbraw/zinc/06/99/03/951069903.db2.gz PMCIYEWYQLSENI-ZDUSSCGKSA-N 1 0 253.342 1.612 20 10 CDCDRO CC(C)(C)[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253741810 952076942 /nfs/dbraw/zinc/07/69/42/952076942.db2.gz JPPFOCNOPBYTKT-ZDUSSCGKSA-N 1 0 253.342 1.637 20 10 CDCDRO COC(=O)NC1CN(Cc2cc(C)c(C)cc2O)C1 ZINC001325502966 953934123 /nfs/dbraw/zinc/93/41/23/953934123.db2.gz XKNSERVYMTWBNO-UHFFFAOYSA-N 1 0 264.325 1.549 20 10 CDCDRO C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001325743051 954054353 /nfs/dbraw/zinc/05/43/53/954054353.db2.gz ITSKDHCZFLZOAH-VHSXEESVSA-N 1 0 267.329 1.949 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(OC)cc1O ZINC001326134572 954231878 /nfs/dbraw/zinc/23/18/78/954231878.db2.gz ZDVDXRYBGKINEP-JTQLQIEISA-N 1 0 281.356 1.198 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1Cl ZINC001328759369 955458799 /nfs/dbraw/zinc/45/87/99/955458799.db2.gz RTXRJPGCHRLYNA-LLVKDONJSA-N 1 0 296.758 1.096 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1COC[C@@H]1O ZINC001329375121 955860149 /nfs/dbraw/zinc/86/01/49/955860149.db2.gz JENYJBAVVXDNEL-KQXIARHKSA-N 1 0 263.337 1.598 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308180390 956491302 /nfs/dbraw/zinc/49/13/02/956491302.db2.gz CGJVSIQWKKLDEU-LBPRGKRZSA-N 1 0 281.375 1.048 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(C(C)C)ccc1O ZINC001308699450 956563492 /nfs/dbraw/zinc/56/34/92/956563492.db2.gz PYQAYLMQQYXKES-ZIAGYGMSSA-N 1 0 293.363 1.624 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001332237570 957488829 /nfs/dbraw/zinc/48/88/29/957488829.db2.gz KMVQUILXWRGEFF-CWRNSKLLSA-N 1 0 287.407 1.709 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@]1(O)CCN(C)C1 ZINC001320514175 959215697 /nfs/dbraw/zinc/21/56/97/959215697.db2.gz OSSWJTQQXMPPEV-IGCXYCKISA-N 1 0 290.407 1.905 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001336225978 960261031 /nfs/dbraw/zinc/26/10/31/960261031.db2.gz UWTPEXNLEGZIIE-GJZGRUSLSA-N 1 0 288.395 1.695 20 10 CDCDRO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001336290045 960290506 /nfs/dbraw/zinc/29/05/06/960290506.db2.gz GHJPBUFTITZILN-ZDUSSCGKSA-N 1 0 262.357 1.162 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C)C(=O)O2)c1 ZINC001324266325 961273898 /nfs/dbraw/zinc/27/38/98/961273898.db2.gz KKVJFEDRLAKNBZ-ONGXEEELSA-N 1 0 280.324 1.502 20 10 CDCDRO CCC[N@H+](Cc1ccc(N)cc1)[C@H]1CC(=O)N(C)C1=O ZINC001345160684 964611055 /nfs/dbraw/zinc/61/10/55/964611055.db2.gz XRZDVIJSAODHHO-ZDUSSCGKSA-N 1 0 275.352 1.238 20 10 CDCDRO CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(N)cc1 ZINC001346738783 965234053 /nfs/dbraw/zinc/23/40/53/965234053.db2.gz KWXZGFIHBZRPML-UHFFFAOYSA-N 1 0 276.384 1.504 20 10 CDCDRO CO[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001350136085 966589596 /nfs/dbraw/zinc/58/95/96/966589596.db2.gz LZMXFJJZOILWOV-CYBMUJFWSA-N 1 0 295.402 1.702 20 10 CDCDRO C[N@H+](Cc1ccc(N)cc1)C(C)(C)CN1CCOCC1 ZINC001352791095 967485019 /nfs/dbraw/zinc/48/50/19/967485019.db2.gz UXUBLHHEZVBOHH-UHFFFAOYSA-N 1 0 277.412 1.811 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000848414262 969079479 /nfs/dbraw/zinc/07/94/79/969079479.db2.gz XMBYCGLHEADNAN-LBPRGKRZSA-N 1 0 291.395 1.388 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000848914754 969350191 /nfs/dbraw/zinc/35/01/91/969350191.db2.gz NHGMXRSCQZLFSS-OAHLLOKOSA-N 1 0 262.353 1.713 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C2 ZINC000848926724 969357894 /nfs/dbraw/zinc/35/78/94/969357894.db2.gz XFKLBUHUNVIOPZ-JTQLQIEISA-N 1 0 292.770 1.821 20 10 CDCDRO CN(C)c1ccc(CNC(=[NH2+])N2CCC2)cc1F ZINC000848998983 969391748 /nfs/dbraw/zinc/39/17/48/969391748.db2.gz QIABELHKDIBWHY-UHFFFAOYSA-N 1 0 250.321 1.622 20 10 CDCDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(N)cc1 ZINC001357791606 969656469 /nfs/dbraw/zinc/65/64/69/969656469.db2.gz OGHNDGACEWZANH-UHFFFAOYSA-N 1 0 290.411 1.896 20 10 CDCDRO COCCOCCOCCC[NH2+]Cc1ccccc1O ZINC000274346972 365630721 /nfs/dbraw/zinc/63/07/21/365630721.db2.gz AFNRTCJGOMPXRW-UHFFFAOYSA-N 1 0 283.368 1.552 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@]2(CO)CCOC2)cc1 ZINC000184195542 343173373 /nfs/dbraw/zinc/17/33/73/343173373.db2.gz NQLGANFNMHISHZ-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CC[C@@H](C)O)c1O ZINC000093481403 342428611 /nfs/dbraw/zinc/42/86/11/342428611.db2.gz PNZKMXHWELDLAA-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO C[C@@H](NC(=O)NC[C@]1(C)C[NH2+]CCO1)c1ccccc1O ZINC001579411627 1172170175 /nfs/dbraw/zinc/17/01/75/1172170175.db2.gz YXWPRVZUXBWNDP-ABAIWWIYSA-N 1 0 293.367 1.131 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)c(O)c1 ZINC000036781429 356883433 /nfs/dbraw/zinc/88/34/33/356883433.db2.gz FGQWKQXTMMGAMW-LLVKDONJSA-N 1 0 250.342 1.876 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NCc1ccco1 ZINC000180921933 357293610 /nfs/dbraw/zinc/29/36/10/357293610.db2.gz WYSFLTQYGJHGJG-SNVBAGLBSA-N 1 0 292.310 1.919 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000180405770 357268772 /nfs/dbraw/zinc/26/87/72/357268772.db2.gz NVXBZSRFPGSZJY-LBPRGKRZSA-N 1 0 291.269 1.900 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC(O)CC2)c(O)c1 ZINC000296094745 357611337 /nfs/dbraw/zinc/61/13/37/357611337.db2.gz YJCRLPQFSOQEIR-ZDUSSCGKSA-N 1 0 278.396 1.808 20 10 CDCDRO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(F)ccc1O ZINC000188787910 357937081 /nfs/dbraw/zinc/93/70/81/357937081.db2.gz YPGUNYQQPGBQBA-QWHCGFSZSA-N 1 0 283.299 1.030 20 10 CDCDRO COCCO[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000188829401 357942782 /nfs/dbraw/zinc/94/27/82/357942782.db2.gz NOQKWNATIRNZRJ-CQSZACIVSA-N 1 0 265.353 1.938 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188921937 357952432 /nfs/dbraw/zinc/95/24/32/357952432.db2.gz SBDSOTGPSRHDJT-SMDDNHRTSA-N 1 0 292.354 1.587 20 10 CDCDRO COc1cccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1O ZINC000092703349 358560876 /nfs/dbraw/zinc/56/08/76/358560876.db2.gz WXGYLWFWEPDFRR-OLZOCXBDSA-N 1 0 290.363 1.644 20 10 CDCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000038013693 359473664 /nfs/dbraw/zinc/47/36/64/359473664.db2.gz KNZKXEWYDJONOK-LLVKDONJSA-N 1 0 280.368 1.795 20 10 CDCDRO Cn1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000267104262 363736284 /nfs/dbraw/zinc/73/62/84/363736284.db2.gz PRGGCVAKZUJUHH-UHFFFAOYSA-N 1 0 260.293 1.749 20 10 CDCDRO CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+](CC)CC ZINC000269204825 364156041 /nfs/dbraw/zinc/15/60/41/364156041.db2.gz MYXQCOAWIVOHMN-ZDUSSCGKSA-N 1 0 294.395 1.877 20 10 CDCDRO C[C@@H](CC[NH+](C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272515139 365271081 /nfs/dbraw/zinc/27/10/81/365271081.db2.gz VDDBZMAALLWOET-ZRQQLDRUSA-N 1 0 278.352 1.567 20 10 CDCDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000273709817 365518052 /nfs/dbraw/zinc/51/80/52/365518052.db2.gz FVUSIWOBRGBMLZ-ZDUSSCGKSA-N 1 0 275.352 1.428 20 10 CDCDRO C[N@H+](CCc1cnccn1)Cc1cc(F)ccc1O ZINC000273686386 365518298 /nfs/dbraw/zinc/51/82/98/365518298.db2.gz ANKLJVRQRPKABD-UHFFFAOYSA-N 1 0 261.300 1.996 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000273467207 365499502 /nfs/dbraw/zinc/49/95/02/365499502.db2.gz FAVLWSRJDZVKBW-XHDPSFHLSA-N 1 0 275.352 1.818 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000273467198 365499601 /nfs/dbraw/zinc/49/96/01/365499601.db2.gz FAVLWSRJDZVKBW-ABAIWWIYSA-N 1 0 275.352 1.818 20 10 CDCDRO CCN(C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289299314 369540817 /nfs/dbraw/zinc/54/08/17/369540817.db2.gz CHWRDSNGLHHIDJ-HNNXBMFYSA-N 1 0 278.396 1.977 20 10 CDCDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C[NH+](C)C ZINC000295286128 371193254 /nfs/dbraw/zinc/19/32/54/371193254.db2.gz IXLZRNBJUWXSHN-QMMMGPOBSA-N 1 0 270.304 1.164 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295209912 378662449 /nfs/dbraw/zinc/66/24/49/378662449.db2.gz ZXEARSCRODZPOX-OAHLLOKOSA-N 1 0 278.396 1.637 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000019899925 1172571684 /nfs/dbraw/zinc/57/16/84/1172571684.db2.gz SVIHVIKTPBTPEO-UWVGGRQHSA-N 1 0 255.339 1.230 20 10 CDCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000093809210 390904450 /nfs/dbraw/zinc/90/44/50/390904450.db2.gz RLICYLYOOFPNDW-JTQLQIEISA-N 1 0 292.335 1.208 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CO)C(C)(C)C)cc1OC ZINC000194632144 391365346 /nfs/dbraw/zinc/36/53/46/391365346.db2.gz QULFUZNQMKJGQQ-CQSZACIVSA-N 1 0 283.368 1.906 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000231604338 391754049 /nfs/dbraw/zinc/75/40/49/391754049.db2.gz HVKXCQIZOSEKDS-ZDUSSCGKSA-N 1 0 253.342 1.491 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)OCCO)c1 ZINC000287360863 392123663 /nfs/dbraw/zinc/12/36/63/392123663.db2.gz OBIAPSPUZHHHPN-NSHDSACASA-N 1 0 283.368 1.839 20 10 CDCDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCc2ccncc21 ZINC000662809001 413529504 /nfs/dbraw/zinc/52/95/04/413529504.db2.gz XRRAXGCQPJZKBD-UHFFFAOYSA-N 1 0 279.343 1.930 20 10 CDCDRO CN(C)C(=O)C[NH2+]Cc1cc(Br)ccc1O ZINC000163754383 261328762 /nfs/dbraw/zinc/32/87/62/261328762.db2.gz LMQMLPXUKARKQJ-UHFFFAOYSA-N 1 0 287.157 1.333 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166460742 261389463 /nfs/dbraw/zinc/38/94/63/261389463.db2.gz PNPMNIZRCYWABJ-SNVBAGLBSA-N 1 0 267.348 1.363 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186203135 262084572 /nfs/dbraw/zinc/08/45/72/262084572.db2.gz NHWORQDBNWOKHD-NEPJUHHUSA-N 1 0 253.342 1.749 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000185194087 262301818 /nfs/dbraw/zinc/30/18/18/262301818.db2.gz OKDBKRWYSFHYSP-LLVKDONJSA-N 1 0 280.368 1.920 20 10 CDCDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000272818280 263008924 /nfs/dbraw/zinc/00/89/24/263008924.db2.gz FJGPBZRYVXKKNR-ZWNOBZJWSA-N 1 0 261.325 1.510 20 10 CDCDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000276829277 263038353 /nfs/dbraw/zinc/03/83/53/263038353.db2.gz QVHMVBLNVFYXMG-ZDUSSCGKSA-N 1 0 260.337 1.589 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC([C@@H]3CCOC3)C2)cc1OC ZINC000368441473 267172917 /nfs/dbraw/zinc/17/29/17/267172917.db2.gz LKLNDBZDSVNTQH-LLVKDONJSA-N 1 0 293.363 1.878 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368971712 267215251 /nfs/dbraw/zinc/21/52/51/267215251.db2.gz CUWPPFYGUKTQIS-SUHUHFCYSA-N 1 0 290.363 1.487 20 10 CDCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000371325223 267390791 /nfs/dbraw/zinc/39/07/91/267390791.db2.gz CMALCPNUIGCNCF-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290601040 328259914 /nfs/dbraw/zinc/25/99/14/328259914.db2.gz VXEPAHUMUSNUTL-LLVKDONJSA-N 1 0 299.392 1.315 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1F ZINC000377282933 329009866 /nfs/dbraw/zinc/00/98/66/329009866.db2.gz KSJICOAAHPKZOV-CYBMUJFWSA-N 1 0 289.358 1.930 20 10 CDCDRO O=S1(=O)CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000019900170 1159594942 /nfs/dbraw/zinc/59/49/42/1159594942.db2.gz PPYZWOWTFPXCNY-JTQLQIEISA-N 1 0 275.757 1.322 20 10 CDCDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000790617113 1162164328 /nfs/dbraw/zinc/16/43/28/1162164328.db2.gz BQZAXHYMUBZIDH-LLVKDONJSA-N 1 0 278.352 1.700 20 10 CDCDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(O)c1O ZINC000791058704 1162188610 /nfs/dbraw/zinc/18/86/10/1162188610.db2.gz FCEUDFGAAWZMGW-CYBMUJFWSA-N 1 0 292.379 1.948 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000277803617 521653042 /nfs/dbraw/zinc/65/30/42/521653042.db2.gz XZKRHPBZGJQFGM-UHFFFAOYSA-N 1 0 277.364 1.641 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)C[NH3+] ZINC000285659348 521689355 /nfs/dbraw/zinc/68/93/55/521689355.db2.gz IUITUKHJOIFSOV-NSHDSACASA-N 1 0 250.342 1.726 20 10 CDCDRO CN(C)c1ccc(C[NH2+]Cc2cncn2C)cc1F ZINC000237092875 522210215 /nfs/dbraw/zinc/21/02/15/522210215.db2.gz IRDRARQJSGBOOX-UHFFFAOYSA-N 1 0 262.332 1.915 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289481544 523412105 /nfs/dbraw/zinc/41/21/05/523412105.db2.gz BXKAPHRGPXDDAA-GXTWGEPZSA-N 1 0 293.386 1.896 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1O ZINC000289537621 524410636 /nfs/dbraw/zinc/41/06/36/524410636.db2.gz HWICPJDQFXMRIF-ZBFHGGJFSA-N 1 0 290.407 1.996 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C)c2)c1 ZINC000041158807 524771019 /nfs/dbraw/zinc/77/10/19/524771019.db2.gz SQZUTCRKFZVANL-JTQLQIEISA-N 1 0 261.325 1.985 20 10 CDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000295170147 525396679 /nfs/dbraw/zinc/39/66/79/525396679.db2.gz LISMIINEWHAROO-GFCCVEGCSA-N 1 0 287.407 1.826 20 10 CDCDRO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1O ZINC000289815529 525443422 /nfs/dbraw/zinc/44/34/22/525443422.db2.gz ORVBCLPPPRECML-LLVKDONJSA-N 1 0 276.340 1.217 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000072895202 525446219 /nfs/dbraw/zinc/44/62/19/525446219.db2.gz YHRCOPVWBDKTHU-ZDUSSCGKSA-N 1 0 275.396 1.853 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1O ZINC000275850400 525950916 /nfs/dbraw/zinc/95/09/16/525950916.db2.gz HYPIMNPVGRUVIT-ZDUSSCGKSA-N 1 0 265.353 1.994 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279974858 526755492 /nfs/dbraw/zinc/75/54/92/526755492.db2.gz UOJZGFUBLZKSEQ-ZDUSSCGKSA-N 1 0 260.337 1.635 20 10 CDCDRO CCOC(=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000770666344 575483559 /nfs/dbraw/zinc/48/35/59/575483559.db2.gz YWXNDROQRIJQGX-UHFFFAOYSA-N 1 0 293.319 1.554 20 10 CDCDRO CCNC(=O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764608922 575925460 /nfs/dbraw/zinc/92/54/60/575925460.db2.gz OTZTYAXTBFEQLW-CYBMUJFWSA-N 1 0 291.395 1.310 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)c1O ZINC000765797242 576056887 /nfs/dbraw/zinc/05/68/87/576056887.db2.gz RBBWRVFJLFEVNB-OLZOCXBDSA-N 1 0 292.379 1.795 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766028882 576072909 /nfs/dbraw/zinc/07/29/09/576072909.db2.gz IEVGOVGDXFMHPI-LBPRGKRZSA-N 1 0 263.385 1.675 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000768140746 576259943 /nfs/dbraw/zinc/25/99/43/576259943.db2.gz VLKMBSAPNXYRTN-LLVKDONJSA-N 1 0 251.349 1.685 20 10 CDCDRO C[C@@H]1C[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C ZINC000768466176 576288151 /nfs/dbraw/zinc/28/81/51/576288151.db2.gz NNJQNTMWYVGSAQ-GPCCPHFNSA-N 1 0 263.337 1.906 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCc2ccn(C)n2)c1 ZINC000760634718 576497799 /nfs/dbraw/zinc/49/77/99/576497799.db2.gz UIDMXIOTKOFAEC-UHFFFAOYSA-N 1 0 275.352 1.857 20 10 CDCDRO CN(C)c1ccc(CNC[C@]2(O)CC[N@H+](C)C2)cc1F ZINC000762569265 576655102 /nfs/dbraw/zinc/65/51/02/576655102.db2.gz RKDXKVFAEUJXPM-OAHLLOKOSA-N 1 0 281.375 1.048 20 10 CDCDRO CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000762790184 576672495 /nfs/dbraw/zinc/67/24/95/576672495.db2.gz XZZJBQCTCSUADW-IAGOWNOFSA-N 1 0 291.439 1.860 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000840936233 617609077 /nfs/dbraw/zinc/60/90/77/617609077.db2.gz HCVATAJGGMKELQ-LBPRGKRZSA-N 1 0 284.425 1.584 20 10 CDCDRO C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000892004617 617402350 /nfs/dbraw/zinc/40/23/50/617402350.db2.gz HNWGDJRRDLXOFM-QWRGUYRKSA-N 1 0 263.341 1.504 20 10 CDCDRO COc1ccc(CN2CC[C@H](C[NH+](C)C)C2)c(O)c1OC ZINC000892033831 617427522 /nfs/dbraw/zinc/42/75/22/617427522.db2.gz INWXWQMDPFVULB-GFCCVEGCSA-N 1 0 294.395 1.793 20 10 CDCDRO COc1ccc(C[NH2+]C(C)(C)CCO)c(O)c1OC ZINC000892953856 617973507 /nfs/dbraw/zinc/97/35/07/617973507.db2.gz LSYURTBHVBWWTD-UHFFFAOYSA-N 1 0 269.341 1.660 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(O)c1OC ZINC000893888649 618159163 /nfs/dbraw/zinc/15/91/63/618159163.db2.gz LSKDXEBGZAGBDU-ABAIWWIYSA-N 1 0 279.336 1.224 20 10 CDCDRO COc1ccc(C[NH2+]CCC[C@H](C)O)c(O)c1OC ZINC000894108021 618430403 /nfs/dbraw/zinc/43/04/03/618430403.db2.gz OZYCBPMFAZTDCQ-JTQLQIEISA-N 1 0 269.341 1.660 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503335 618548682 /nfs/dbraw/zinc/54/86/82/618548682.db2.gz GIEYHEWFZZZLRY-ZDUSSCGKSA-N 1 0 258.325 1.821 20 10 CDCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)C(F)(F)F ZINC000877693910 618701584 /nfs/dbraw/zinc/70/15/84/618701584.db2.gz UEMUAJXNAAFXAF-WKEGUHRASA-N 1 0 267.222 1.933 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000894315496 618762737 /nfs/dbraw/zinc/76/27/37/618762737.db2.gz JIKLZWCVUBKCSY-CYBMUJFWSA-N 1 0 291.351 1.266 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000894621292 618988891 /nfs/dbraw/zinc/98/88/91/618988891.db2.gz VAKRAUBUNMNRLG-CYBMUJFWSA-N 1 0 261.321 1.642 20 10 CDCDRO Cc1nnc([C@@H]2CC[N@H+](Cc3ccccc3O)C2)[nH]1 ZINC000895007537 619204973 /nfs/dbraw/zinc/20/49/73/619204973.db2.gz FABVKUSNNJCJIS-GFCCVEGCSA-N 1 0 258.325 1.808 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788269432 619325660 /nfs/dbraw/zinc/32/56/60/619325660.db2.gz NRFLFQBXIVWNQJ-JQWIXIFHSA-N 1 0 251.326 1.746 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC2(C)C)c1 ZINC000895317055 619548439 /nfs/dbraw/zinc/54/84/39/619548439.db2.gz LXZNWLFTWAJUJD-ZDUSSCGKSA-N 1 0 278.352 1.405 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c(O)c1OC ZINC000895458325 619675313 /nfs/dbraw/zinc/67/53/13/619675313.db2.gz XRBZUQSHFAUOLP-BDJLRTHQSA-N 1 0 295.379 1.860 20 10 CDCDRO COCC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895971637 619928899 /nfs/dbraw/zinc/92/88/99/619928899.db2.gz MVYQAVLMEGKUKU-UHFFFAOYSA-N 1 0 276.380 1.601 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)c1O ZINC000897052972 620360517 /nfs/dbraw/zinc/36/05/17/620360517.db2.gz PEHSBVWHWPRQAM-LLVKDONJSA-N 1 0 298.408 1.065 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCO[C@H]2CCOC2)c1 ZINC000897201553 620414103 /nfs/dbraw/zinc/41/41/03/620414103.db2.gz KYHNMIKFZWTZSX-ZDUSSCGKSA-N 1 0 267.325 1.296 20 10 CDCDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCOC2)N(C)C)cc1 ZINC000898451294 621741794 /nfs/dbraw/zinc/74/17/94/621741794.db2.gz WXWDXCPBXXBMKD-GDBMZVCRSA-N 1 0 277.412 1.734 20 10 CDCDRO C[C@H]([NH2+]CCN1CCCOCC1)c1cc(F)ccc1O ZINC000903228925 625926294 /nfs/dbraw/zinc/92/62/94/625926294.db2.gz TXFKBSDZIUMVFE-LBPRGKRZSA-N 1 0 282.359 1.904 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)CCOC2)cc1 ZINC000911667935 629387338 /nfs/dbraw/zinc/38/73/38/629387338.db2.gz UNKLDIXERKPFGR-ZBFHGGJFSA-N 1 0 291.395 1.295 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@]2(O)CCSC2)c(O)c1 ZINC000877082195 630609262 /nfs/dbraw/zinc/60/92/62/630609262.db2.gz NOVRRRAROXVVSI-CYBMUJFWSA-N 1 0 253.367 1.658 20 10 CDCDRO CCC[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000035407985 632324597 /nfs/dbraw/zinc/32/45/97/632324597.db2.gz PVRBJWQSRBRRDM-UHFFFAOYSA-N 1 0 262.357 1.828 20 10 CDCDRO CCn1cnnc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921752219 633265157 /nfs/dbraw/zinc/26/51/57/633265157.db2.gz ZLIDSBKNAXJSRB-UHFFFAOYSA-N 1 0 286.379 1.955 20 10 CDCDRO O[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCSC1 ZINC000921809511 633314070 /nfs/dbraw/zinc/31/40/70/633314070.db2.gz HMAXTVREGRMKAE-HNNXBMFYSA-N 1 0 279.405 1.969 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c(O)c1 ZINC000794378203 1162469041 /nfs/dbraw/zinc/46/90/41/1162469041.db2.gz DMXGEUNMILBHQD-LBPRGKRZSA-N 1 0 264.325 1.111 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@H](CO)COC(C)C)c1O ZINC000809768526 1163078978 /nfs/dbraw/zinc/07/89/78/1163078978.db2.gz ODMHGTXASKLBMH-CYBMUJFWSA-N 1 0 283.368 1.619 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1F ZINC000865667331 1164677663 /nfs/dbraw/zinc/67/76/63/1164677663.db2.gz YRMQEPLKHOCYLB-HIFRSBDPSA-N 1 0 282.359 1.521 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000870988712 1165250077 /nfs/dbraw/zinc/25/00/77/1165250077.db2.gz XNGDEOATOKECQJ-RTXFEEFZSA-N 1 0 262.353 1.958 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000873052322 1165507545 /nfs/dbraw/zinc/50/75/45/1165507545.db2.gz OFSHVTJPKMFATB-CQSZACIVSA-N 1 0 275.396 1.819 20 10 CDCDRO CCC[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876538334 1165867896 /nfs/dbraw/zinc/86/78/96/1165867896.db2.gz PDMODZGUKPSJKD-UHFFFAOYSA-N 1 0 292.423 1.852 20 10 CDCDRO COCC(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876618504 1165881046 /nfs/dbraw/zinc/88/10/46/1165881046.db2.gz XCJFDLJJOISPPE-UHFFFAOYSA-N 1 0 292.379 1.428 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000876878503 1165933784 /nfs/dbraw/zinc/93/37/84/1165933784.db2.gz FAEJKQJWWNNQJL-NXEZZACHSA-N 1 0 266.341 1.576 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC000877588614 1166063620 /nfs/dbraw/zinc/06/36/20/1166063620.db2.gz UNULZOCLBGGJSE-ZDUSSCGKSA-N 1 0 262.353 1.611 20 10 CDCDRO CO[C@@]1(C[NH2+]Cc2cccc(C)c2O)CCOC1 ZINC000126978784 1166161229 /nfs/dbraw/zinc/16/12/29/1166161229.db2.gz KFSAWVYHPVIWTL-CQSZACIVSA-N 1 0 251.326 1.596 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC12C[NH2+]C2 ZINC001578489705 1171934910 /nfs/dbraw/zinc/93/49/10/1171934910.db2.gz HGGOFOHCTAYXKY-INIZCTEOSA-N 1 0 299.418 1.855 20 10 CDCDRO COc1ccc(-n2c(C)cc(C(=O)NC3C[NH2+]C3)c2C)cc1 ZINC000237506353 1178703358 /nfs/dbraw/zinc/70/33/58/1178703358.db2.gz FCSPLCNQGWLZMZ-UHFFFAOYSA-N 1 0 299.374 1.804 20 10 CDCDRO CN(Cc1cc(O)c(O)c(O)c1)C1CC[NH+](C)CC1 ZINC001233010874 912674899 /nfs/dbraw/zinc/67/48/99/912674899.db2.gz WFCFDPKZHWJITL-UHFFFAOYSA-N 1 0 266.341 1.329 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206222261 913017289 /nfs/dbraw/zinc/01/72/89/913017289.db2.gz NNBKBPBYVIGPAC-LBPRGKRZSA-N 1 0 290.285 1.866 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)c(OC)c1 ZINC001141032008 899342968 /nfs/dbraw/zinc/34/29/68/899342968.db2.gz PYANDIBRTNSMHE-GHMZBOCLSA-N 1 0 281.352 1.755 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141155972 899821799 /nfs/dbraw/zinc/82/17/99/899821799.db2.gz CJLUHLZAYOHCFN-UHFFFAOYSA-N 1 0 280.324 1.372 20 10 CDCDRO C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]2CC1 ZINC001269607471 903976381 /nfs/dbraw/zinc/97/63/81/903976381.db2.gz AZPQIJMHNMJNRN-TXEJJXNPSA-N 1 0 290.363 1.512 20 10 CDCDRO [NH3+][C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC[C@H]1F ZINC001206187334 912138843 /nfs/dbraw/zinc/13/88/43/912138843.db2.gz SSSPQMHCIAMTEH-NEPJUHHUSA-N 1 0 282.315 1.352 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC001236298463 914914926 /nfs/dbraw/zinc/91/49/26/914914926.db2.gz USDRKAOTAZYJOV-ONGXEEELSA-N 1 0 268.744 1.458 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)[C@H]1C ZINC001204278749 916587545 /nfs/dbraw/zinc/58/75/45/916587545.db2.gz JLGGFNZPODGMFQ-GXFFZTMASA-N 1 0 279.336 1.871 20 10 CDCDRO COc1cc(C)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206447957 916996687 /nfs/dbraw/zinc/99/66/87/916996687.db2.gz YWTKDHRKINFDGI-QWRGUYRKSA-N 1 0 268.332 1.580 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN(c2ccncn2)CC1 ZINC001203558736 919513245 /nfs/dbraw/zinc/51/32/45/919513245.db2.gz ZEWOZHFCIZXKAG-UHFFFAOYSA-N 1 0 270.336 1.504 20 10 CDCDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@](C)(O)C1 ZINC001139125157 936599749 /nfs/dbraw/zinc/59/97/49/936599749.db2.gz NTSRVBAPZIPTOE-INIZCTEOSA-N 1 0 289.331 1.764 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)ccc1N(C)C ZINC001139674136 936634887 /nfs/dbraw/zinc/63/48/87/936634887.db2.gz QHBBUZZFTKCTJT-GJZGRUSLSA-N 1 0 259.397 1.949 20 10 CDCDRO Cc1ccc(C)c(C[N@H+]2CCc3nncn3CC2)c1O ZINC001140178557 936684573 /nfs/dbraw/zinc/68/45/73/936684573.db2.gz ONMJACSKBHADKP-UHFFFAOYSA-N 1 0 272.352 1.659 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001140178646 936684608 /nfs/dbraw/zinc/68/46/08/936684608.db2.gz SBIRBYNKBYUATR-OCCSQVGLSA-N 1 0 265.353 1.184 20 10 CDCDRO C[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC001140338051 936702959 /nfs/dbraw/zinc/70/29/59/936702959.db2.gz SSHPSJYATMCNTC-KGLIPLIRSA-N 1 0 285.771 1.611 20 10 CDCDRO CC[NH+]1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140742242 936748368 /nfs/dbraw/zinc/74/83/68/936748368.db2.gz LAOVZNBOYCFSSU-UHFFFAOYSA-N 1 0 250.342 1.544 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c1O ZINC001140742172 936748389 /nfs/dbraw/zinc/74/83/89/936748389.db2.gz JJIKZPBPDFZNQH-PWSUYJOCSA-N 1 0 265.353 1.999 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747971 936749573 /nfs/dbraw/zinc/74/95/73/936749573.db2.gz PSUSYFPQAONFIX-LBPRGKRZSA-N 1 0 279.336 1.791 20 10 CDCDRO COCC1C[NH+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141031474 936795214 /nfs/dbraw/zinc/79/52/14/936795214.db2.gz GNJDBGVESCRNHH-UHFFFAOYSA-N 1 0 267.325 1.488 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141158725 936821960 /nfs/dbraw/zinc/82/19/60/936821960.db2.gz LCXXOOALQVWDGC-GFCCVEGCSA-N 1 0 250.342 1.624 20 10 CDCDRO Oc1ccc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)c1 ZINC001141159200 936822207 /nfs/dbraw/zinc/82/22/07/936822207.db2.gz BWVXVJHGKRUWKV-UHFFFAOYSA-N 1 0 280.343 1.716 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@H]1O ZINC001141140692 936819065 /nfs/dbraw/zinc/81/90/65/936819065.db2.gz OKUAEZCOQYKTCE-SWLSCSKDSA-N 1 0 276.380 1.718 20 10 CDCDRO Cc1cc2c(cc1N(CC[NH3+])c1cccnc1)CC(=O)N2 ZINC001168838147 927482533 /nfs/dbraw/zinc/48/25/33/927482533.db2.gz QRDJQFBQATWFKQ-UHFFFAOYSA-N 1 0 282.347 1.981 20 10 CDCDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(O)c(O)c1 ZINC001168984323 927572420 /nfs/dbraw/zinc/57/24/20/927572420.db2.gz LYWRNZWHXLWDDE-ONGXEEELSA-N 1 0 294.307 1.316 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000856778434 928626393 /nfs/dbraw/zinc/62/63/93/928626393.db2.gz LUCMVTMQQONQPY-ZDUSSCGKSA-N 1 0 291.395 1.342 20 10 CDCDRO CCc1cccc(C[NH2+]C(COC)COC)c1O ZINC000691450119 928866319 /nfs/dbraw/zinc/86/63/19/928866319.db2.gz XGASKPARFJVERK-UHFFFAOYSA-N 1 0 253.342 1.706 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000697621038 937284981 /nfs/dbraw/zinc/28/49/81/937284981.db2.gz QTDZMWPIYSEHCF-JTQLQIEISA-N 1 0 257.355 1.223 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+][C@H]2CCCOCC2)cc1O ZINC001170767199 929853710 /nfs/dbraw/zinc/85/37/10/929853710.db2.gz QDPDGSZERIZJGS-SMDDNHRTSA-N 1 0 267.325 1.290 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817945494 930642104 /nfs/dbraw/zinc/64/21/04/930642104.db2.gz DZAGZONRDYLXQV-GHMZBOCLSA-N 1 0 279.340 1.951 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@]1(C)O ZINC001144500664 931860387 /nfs/dbraw/zinc/86/03/87/931860387.db2.gz YMHXURACFWINBQ-OTYXRUKQSA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001144503750 931863905 /nfs/dbraw/zinc/86/39/05/931863905.db2.gz BQZABWXQLRPGEF-MEBBXXQBSA-N 1 0 279.336 1.804 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)c(O)c1 ZINC001144515188 931878910 /nfs/dbraw/zinc/87/89/10/931878910.db2.gz HFWBUARJGGGIHO-AWEZNQCLSA-N 1 0 265.309 1.558 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c1O ZINC001276113015 932532505 /nfs/dbraw/zinc/53/25/05/932532505.db2.gz NHALDXRXFBUETF-WCQYABFASA-N 1 0 262.353 1.542 20 10 CDCDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc(O)c1O)C2 ZINC001148224714 932672423 /nfs/dbraw/zinc/67/24/23/932672423.db2.gz TYHVFIITHNZVGP-CNDDSTCGSA-N 1 0 290.363 1.843 20 10 CDCDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC001120576775 937812670 /nfs/dbraw/zinc/81/26/70/937812670.db2.gz NGANDKFLWIAKPZ-CYBMUJFWSA-N 1 0 290.411 1.942 20 10 CDCDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001157818800 938551441 /nfs/dbraw/zinc/55/14/41/938551441.db2.gz XMQNCHRWFWOHQJ-ZDUSSCGKSA-N 1 0 292.379 1.583 20 10 CDCDRO Cc1cccc(CNc2ncnc3c2CC[NH2+]C3)c1O ZINC001160768933 938825628 /nfs/dbraw/zinc/82/56/28/938825628.db2.gz FGLJRQMAKYQIRG-UHFFFAOYSA-N 1 0 270.336 1.748 20 10 CDCDRO O=C([C@H]1CC[NH2+]C[C@@H]1F)N1CCc2cccc(O)c2C1 ZINC001160871983 938834972 /nfs/dbraw/zinc/83/49/72/938834972.db2.gz DRYXITHPORYEMI-AAEUAGOBSA-N 1 0 278.327 1.225 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c(O)c1 ZINC001206676892 938913942 /nfs/dbraw/zinc/91/39/42/938913942.db2.gz VPMQISSSRISAMI-GFCCVEGCSA-N 1 0 256.296 1.869 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c(O)c1 ZINC001206676893 938913966 /nfs/dbraw/zinc/91/39/66/938913966.db2.gz VPMQISSSRISAMI-LBPRGKRZSA-N 1 0 256.296 1.869 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1cccc(OC)c1O ZINC001203596615 939695630 /nfs/dbraw/zinc/69/56/30/939695630.db2.gz LYDXJGUSYRHXRF-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO CCOc1cccc(CN2CC[N@@H+]3CC[C@@H]3C2)c1O ZINC001203617345 939696789 /nfs/dbraw/zinc/69/67/89/939696789.db2.gz OFPLQNUZOCOBFZ-CYBMUJFWSA-N 1 0 262.353 1.681 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c(O)c1 ZINC001203634830 939699039 /nfs/dbraw/zinc/69/90/39/939699039.db2.gz XDHXBFKEXJJWME-ZDUSSCGKSA-N 1 0 278.352 1.453 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(O)c(O)c1 ZINC001203880700 939711119 /nfs/dbraw/zinc/71/11/19/939711119.db2.gz WNUVIGUIGPVKKH-UHFFFAOYSA-N 1 0 280.368 1.252 20 10 CDCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CCC2(C1)OCCO2 ZINC001203881704 939711330 /nfs/dbraw/zinc/71/13/30/939711330.db2.gz TTXJXZBSLYDXJS-LBPRGKRZSA-N 1 0 279.336 1.825 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881307 939711554 /nfs/dbraw/zinc/71/15/54/939711554.db2.gz OWAONQFAJHIRBY-LBPRGKRZSA-N 1 0 264.325 1.150 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203883594 939711955 /nfs/dbraw/zinc/71/19/55/939711955.db2.gz KRTWGJSFICQSLO-GFCCVEGCSA-N 1 0 279.336 1.873 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cc1 ZINC001203930591 939714888 /nfs/dbraw/zinc/71/48/88/939714888.db2.gz AGFXDIMQEKZITP-INIZCTEOSA-N 1 0 290.407 1.868 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c(O)c1 ZINC001204276757 939751392 /nfs/dbraw/zinc/75/13/92/939751392.db2.gz QCSJFCGQJSDZCG-AWEZNQCLSA-N 1 0 269.316 1.784 20 10 CDCDRO Oc1ccc(C[NH+]2CCN(c3ccncn3)CC2)c(O)c1 ZINC001204279653 939752339 /nfs/dbraw/zinc/75/23/39/939752339.db2.gz DYUBCJTWYJUIHS-UHFFFAOYSA-N 1 0 286.335 1.210 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(O)cc2O)C[C@@H]1C ZINC001204281082 939752538 /nfs/dbraw/zinc/75/25/38/939752538.db2.gz QBZGIOXGHSFRRA-JTQLQIEISA-N 1 0 264.325 1.150 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@]23CCOC3)cc(O)c1O ZINC001204345202 939758648 /nfs/dbraw/zinc/75/86/48/939758648.db2.gz JGSCAMUWNMGCBU-HNNXBMFYSA-N 1 0 279.336 1.861 20 10 CDCDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(O)c(O)cc1O)C2 ZINC001276516532 940166561 /nfs/dbraw/zinc/16/65/61/940166561.db2.gz GLQGUAXCPLIRSQ-MRXNPFEDSA-N 1 0 292.379 1.721 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000400150636 940843189 /nfs/dbraw/zinc/84/31/89/940843189.db2.gz BJAPDAABRWUPOD-VXGBXAGGSA-N 1 0 298.408 1.385 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000402041756 940887381 /nfs/dbraw/zinc/88/73/81/940887381.db2.gz JBOVQLRSHNDLQV-HIFRSBDPSA-N 1 0 276.380 1.790 20 10 CDCDRO C[C@@H]([NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212438 941423976 /nfs/dbraw/zinc/42/39/76/941423976.db2.gz JXHRWKLCHHHIRA-SSDOTTSWSA-N 1 0 279.727 1.557 20 10 CDCDRO O=C([C@H]1CC12C[NH+](Cc1ccccc1O)C2)N1CC=CC1 ZINC001277446994 942588165 /nfs/dbraw/zinc/58/81/65/942588165.db2.gz XTEATXIZBZGHHJ-CQSZACIVSA-N 1 0 284.359 1.613 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCc3ncn(C)c3C2)c1O ZINC001231594054 942939245 /nfs/dbraw/zinc/93/92/45/942939245.db2.gz CLOUFPOXDSYWBV-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H](O)CO ZINC001231878661 943035032 /nfs/dbraw/zinc/03/50/32/943035032.db2.gz OOZNBTGYDQSHQO-CYBMUJFWSA-N 1 0 261.321 1.330 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)cc1Cl ZINC001231868040 943035932 /nfs/dbraw/zinc/03/59/32/943035932.db2.gz PMTGAZZVNMTPGF-CABCVRRESA-N 1 0 299.798 1.919 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232261387 943192325 /nfs/dbraw/zinc/19/23/25/943192325.db2.gz GBNSNFOQMPPZCN-MRVPVSSYSA-N 1 0 257.717 1.565 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263317 943195525 /nfs/dbraw/zinc/19/55/25/943195525.db2.gz MHKOZEBJUZOYEC-NSHDSACASA-N 1 0 298.770 1.804 20 10 CDCDRO C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232833734 943413185 /nfs/dbraw/zinc/41/31/85/943413185.db2.gz DHDBHSXHBSWHCI-NSHDSACASA-N 1 0 250.342 1.679 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(O)c1 ZINC001232836099 943414191 /nfs/dbraw/zinc/41/41/91/943414191.db2.gz KWKRNBVXJIPLEK-KGLIPLIRSA-N 1 0 282.359 1.753 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001232835506 943414391 /nfs/dbraw/zinc/41/43/91/943414391.db2.gz DFRISPWBBCYROS-AWEZNQCLSA-N 1 0 264.369 1.805 20 10 CDCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233009767 943460766 /nfs/dbraw/zinc/46/07/66/943460766.db2.gz ALFQNYUQSNHNPC-SNVBAGLBSA-N 1 0 253.298 1.414 20 10 CDCDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]2C1 ZINC001233015853 943464478 /nfs/dbraw/zinc/46/44/78/943464478.db2.gz HEJCGPVTQSQBML-CHWSQXEVSA-N 1 0 292.379 1.577 20 10 CDCDRO Oc1cc(CN2CCC[C@H](n3cncn3)C2)cc(O)c1O ZINC001233016732 943464576 /nfs/dbraw/zinc/46/45/76/943464576.db2.gz MMPVYNUVCNALIS-NSHDSACASA-N 1 0 290.323 1.232 20 10 CDCDRO C[N@@H+]1CCC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233949801 943699814 /nfs/dbraw/zinc/69/98/14/943699814.db2.gz OJCOVSSQVVRZCE-SECBINFHSA-N 1 0 275.308 1.514 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC[C@@H]3CCO3)cc2)CC1 ZINC001234657929 943930724 /nfs/dbraw/zinc/93/07/24/943930724.db2.gz MTYNGVDIZKECSP-INIZCTEOSA-N 1 0 276.380 1.996 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001235674044 944238837 /nfs/dbraw/zinc/23/88/37/944238837.db2.gz CTKVQTFZRWYVIH-WFASDCNBSA-N 1 0 279.380 1.475 20 10 CDCDRO Cc1cc(O)c(CN(C)C2C[NH2+]C2)cc1Br ZINC001235922578 944322775 /nfs/dbraw/zinc/32/27/75/944322775.db2.gz ATLHKNIYKLQTNQ-UHFFFAOYSA-N 1 0 285.185 1.867 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c(C)ccc(C)c1O ZINC001236197419 944428189 /nfs/dbraw/zinc/42/81/89/944428189.db2.gz INYJFOPZFDMPMM-AAEUAGOBSA-N 1 0 278.352 1.084 20 10 CDCDRO Oc1c(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001236289185 944447349 /nfs/dbraw/zinc/44/73/49/944447349.db2.gz PNEUSAKFJKRFJQ-HOCLYGCPSA-N 1 0 299.418 1.495 20 10 CDCDRO Oc1ccc(Br)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236289801 944448794 /nfs/dbraw/zinc/44/87/94/944448794.db2.gz QLAVDYRDESPTAW-ONGXEEELSA-N 1 0 283.169 1.558 20 10 CDCDRO Oc1cccc(OC(F)(F)F)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236295108 944453417 /nfs/dbraw/zinc/45/34/17/944453417.db2.gz PQKZCCGFYPIWNO-WPRPVWTQSA-N 1 0 288.269 1.694 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001236784305 944566500 /nfs/dbraw/zinc/56/65/00/944566500.db2.gz UKOLYWOHSRWYPY-OCCSQVGLSA-N 1 0 253.317 1.859 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(Cl)c1 ZINC001236798016 944571569 /nfs/dbraw/zinc/57/15/69/944571569.db2.gz KJTCINOUGHBRJF-YPMHNXCESA-N 1 0 289.734 1.959 20 10 CDCDRO COc1cc(O)c(CN(C)C[C@H](C)[NH3+])c(OC)c1 ZINC001236900721 944611539 /nfs/dbraw/zinc/61/15/39/944611539.db2.gz WABGFYPSQNDJFL-VIFPVBQESA-N 1 0 254.330 1.188 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c1O ZINC001238063745 945046287 /nfs/dbraw/zinc/04/62/87/945046287.db2.gz LXSNPYMFEDPFHG-ZFWWWQNUSA-N 1 0 283.343 1.405 20 10 CDCDRO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(N)cc3)C2=O)n1 ZINC001262488333 946681915 /nfs/dbraw/zinc/68/19/15/946681915.db2.gz YRLAVNYMWAGRCW-CQSZACIVSA-N 1 0 299.378 1.288 20 10 CDCDRO O=c1cc(C2=CC[NH2+]C2)ccn1Cc1ccncc1 ZINC001243111344 947019843 /nfs/dbraw/zinc/01/98/43/947019843.db2.gz KJXHOGOPZIZMFY-UHFFFAOYSA-N 1 0 253.305 1.278 20 10 CDCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001255242436 947788613 /nfs/dbraw/zinc/78/86/13/947788613.db2.gz HNNBXGWKYUGCQU-CYBMUJFWSA-N 1 0 295.402 1.390 20 10 CDCDRO CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246468505 948190987 /nfs/dbraw/zinc/19/09/87/948190987.db2.gz YJAMJTGUARZUHS-ZBFHGGJFSA-N 1 0 291.395 1.085 20 10 CDCDRO CN1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001256211509 948242626 /nfs/dbraw/zinc/24/26/26/948242626.db2.gz YTLIVSROZNXDLR-UHFFFAOYSA-N 1 0 276.380 1.940 20 10 CDCDRO CCOc1ccc(N2CC[NH+](C[C@@H](O)CC)CC2)cc1 ZINC001256559951 948344012 /nfs/dbraw/zinc/34/40/12/948344012.db2.gz IXJWTABXFDGTPO-HNNXBMFYSA-N 1 0 278.396 1.978 20 10 CDCDRO C[C@@H]1C[C@H](N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879490 948500024 /nfs/dbraw/zinc/50/00/24/948500024.db2.gz WDVWZXIZDXXJIT-BXUZGUMPSA-N 1 0 276.380 1.987 20 10 CDCDRO CCCCOC[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001252534280 951420772 /nfs/dbraw/zinc/42/07/72/951420772.db2.gz OPAHHASCQOEYSD-GFCCVEGCSA-N 1 0 269.341 1.365 20 10 CDCDRO CC(C)OC[C@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001252679749 951568000 /nfs/dbraw/zinc/56/80/00/951568000.db2.gz BGXUFWKEDQJYIA-CQSZACIVSA-N 1 0 295.379 1.632 20 10 CDCDRO Nc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC001334774469 954268582 /nfs/dbraw/zinc/26/85/82/954268582.db2.gz IVXQWPUEPDUNHC-KGLIPLIRSA-N 1 0 259.353 1.512 20 10 CDCDRO C[NH+]1CC2(C1)CCN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 ZINC001329277542 955794951 /nfs/dbraw/zinc/79/49/51/955794951.db2.gz IYEXEFGLYOTLAN-HYXAFXHYSA-N 1 0 288.347 1.275 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001303225684 956068322 /nfs/dbraw/zinc/06/83/22/956068322.db2.gz NDTFOKBQEOOBKF-GFCCVEGCSA-N 1 0 292.379 1.834 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)C(C)(C)O ZINC001307500779 956415157 /nfs/dbraw/zinc/41/51/57/956415157.db2.gz GJYHYEBSDREUAV-AWEZNQCLSA-N 1 0 267.369 1.736 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCC(OCC(N)=O)CC2)cc1C ZINC001319823264 958741642 /nfs/dbraw/zinc/74/16/42/958741642.db2.gz KKYMQKHOYISSRO-UHFFFAOYSA-N 1 0 292.379 1.475 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC001336844389 960654343 /nfs/dbraw/zinc/65/43/43/960654343.db2.gz GMMVKARBXUKRGN-FZMZJTMJSA-N 1 0 288.395 1.693 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NCC1([NH3+])CC1 ZINC001337024376 960862373 /nfs/dbraw/zinc/86/23/73/960862373.db2.gz RICKSFSGKHYPRU-UHFFFAOYSA-N 1 0 277.368 1.805 20 10 CDCDRO C[C@@H](NC(=O)c1ccc2c(n1)C[NH2+]CC2)c1ccccc1O ZINC001342306129 963705196 /nfs/dbraw/zinc/70/51/96/963705196.db2.gz FWWFIQUGGPASDP-LLVKDONJSA-N 1 0 297.358 1.924 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)CNCC[NH3+])cc1 ZINC001353460745 967994516 /nfs/dbraw/zinc/99/45/16/967994516.db2.gz ZAMODFPQTIQZGS-UHFFFAOYSA-N 1 0 292.427 1.040 20 10 CDCDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1cccc(O)c1O ZINC001575560732 1171202563 /nfs/dbraw/zinc/20/25/63/1171202563.db2.gz MQAKTJBEBFCWBK-NSHDSACASA-N 1 0 266.341 1.478 20 10 CDCDRO CC(C)C[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001575627411 1171225388 /nfs/dbraw/zinc/22/53/88/1171225388.db2.gz RVUSHJOBWCPMDK-DGCLKSJQSA-N 1 0 294.395 1.909 20 10 CDCDRO C[NH2+]CCCC(=O)NCc1cccc(Cl)c1O ZINC001578680935 1171980180 /nfs/dbraw/zinc/98/01/80/1171980180.db2.gz PPCATTWZXXOLRW-UHFFFAOYSA-N 1 0 256.733 1.661 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)C2)cc1OC ZINC000294963884 199272854 /nfs/dbraw/zinc/27/28/54/199272854.db2.gz WXAJLPVYICFFQA-AOOOYVTPSA-N 1 0 253.298 1.022 20 10 CDCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cccc(O)c31)CC2 ZINC000297773030 282126648 /nfs/dbraw/zinc/12/66/48/282126648.db2.gz PFNUWXVWUBWUCQ-CHWSQXEVSA-N 1 0 284.363 1.884 20 10 CDCDRO C[NH+]1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000077450557 342330453 /nfs/dbraw/zinc/33/04/53/342330453.db2.gz APEYWWYACAENEI-UHFFFAOYSA-N 1 0 276.380 1.168 20 10 CDCDRO COc1ccc(N2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000064030697 342441511 /nfs/dbraw/zinc/44/15/11/342441511.db2.gz RDWWUXUDELBNNL-UHFFFAOYSA-N 1 0 286.379 1.714 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CCCO)CC2)cc1 ZINC000052466465 345242465 /nfs/dbraw/zinc/24/24/65/345242465.db2.gz FEMUFONOELDNLY-UHFFFAOYSA-N 1 0 264.369 1.590 20 10 CDCDRO COc1cccc(C[NH2+]CCC2(O)CCC2)c1O ZINC000283903735 362694535 /nfs/dbraw/zinc/69/45/35/362694535.db2.gz HXKXJKAXJRFTFF-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000031727513 348688127 /nfs/dbraw/zinc/68/81/27/348688127.db2.gz HHKHMYGDAWGDGQ-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO CCC[C@](C)([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823789 356936956 /nfs/dbraw/zinc/93/69/56/356936956.db2.gz SFJDZNPMASWXEX-AWEZNQCLSA-N 1 0 250.342 1.868 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](C)(O)C2)c1 ZINC000180377455 357266379 /nfs/dbraw/zinc/26/63/79/357266379.db2.gz DDGBCKLJRSAALN-AWEZNQCLSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1cc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)ccc1N(C)C ZINC000294417007 199031510 /nfs/dbraw/zinc/03/15/10/199031510.db2.gz DGJQNRKAFOSQGF-KBPBESRZSA-N 1 0 280.412 1.625 20 10 CDCDRO Oc1ccc(Br)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294775176 199177654 /nfs/dbraw/zinc/17/76/54/199177654.db2.gz GHXAFTOQFKLOKM-AOOOYVTPSA-N 1 0 272.142 1.768 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000267613530 363857521 /nfs/dbraw/zinc/85/75/21/363857521.db2.gz RZMHZYKCKLTMDU-LLVKDONJSA-N 1 0 278.352 1.620 20 10 CDCDRO CC(C)[C@@H](C(=O)NCc1ccccc1O)[NH+](C)C ZINC000269151483 364147154 /nfs/dbraw/zinc/14/71/54/364147154.db2.gz QYWVYITXJUJGTR-ZDUSSCGKSA-N 1 0 250.342 1.595 20 10 CDCDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C2)cc1OC ZINC000271118845 364931779 /nfs/dbraw/zinc/93/17/79/364931779.db2.gz XDRZLHMCLNJUQU-NSHDSACASA-N 1 0 267.325 1.630 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCSC2)cc1OC ZINC000271773385 364997497 /nfs/dbraw/zinc/99/74/97/364997497.db2.gz CBZYZXGJJPIWPT-CQSZACIVSA-N 1 0 299.392 1.367 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000272334905 365193542 /nfs/dbraw/zinc/19/35/42/365193542.db2.gz XDKUVOHWVGXBJN-SECBINFHSA-N 1 0 253.273 1.526 20 10 CDCDRO CC(C)[N@H+](C)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272425007 365231864 /nfs/dbraw/zinc/23/18/64/365231864.db2.gz KQCOYBNGDLGJTP-SOFGYWHQSA-N 1 0 292.379 1.958 20 10 CDCDRO CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272687290 365351760 /nfs/dbraw/zinc/35/17/60/365351760.db2.gz TUEWEHRBEWDEPC-FNORWQNLSA-N 1 0 264.325 1.131 20 10 CDCDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000273222647 365479546 /nfs/dbraw/zinc/47/95/46/365479546.db2.gz PQZWUIXZWFUGOU-LLVKDONJSA-N 1 0 294.395 1.923 20 10 CDCDRO CCN1CCN(Cc2cc(C)c(C)cc2O)CC1=O ZINC000273531121 365505129 /nfs/dbraw/zinc/50/51/29/365505129.db2.gz VEYOGMNMZSEENM-UHFFFAOYSA-N 1 0 262.353 1.673 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(O)c1 ZINC000233250866 367587195 /nfs/dbraw/zinc/58/71/95/367587195.db2.gz NIWGFCYUJIOZLU-INIZCTEOSA-N 1 0 292.379 1.878 20 10 CDCDRO CCOC[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000529664851 368087309 /nfs/dbraw/zinc/08/73/09/368087309.db2.gz FMMDIPSKNOGWGT-CQSZACIVSA-N 1 0 265.353 1.938 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2)c(O)c1C ZINC000530225177 368151436 /nfs/dbraw/zinc/15/14/36/368151436.db2.gz MKKAQYPDPXGSGF-OLZOCXBDSA-N 1 0 264.369 1.648 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCN(C[C@@H](C)O)C[C@H]2C)c1 ZINC000284438846 368520967 /nfs/dbraw/zinc/52/09/67/368520967.db2.gz SOVZHKZEOPJMBT-ZIAGYGMSSA-N 1 0 278.396 1.588 20 10 CDCDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000295084459 371128069 /nfs/dbraw/zinc/12/80/69/371128069.db2.gz SLPSRCMFVPCTHF-ZETOZRRWSA-N 1 0 261.369 1.314 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186202537 378846472 /nfs/dbraw/zinc/84/64/72/378846472.db2.gz HJENLGGFOLCSLP-VXGBXAGGSA-N 1 0 253.342 1.749 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296897369 390636344 /nfs/dbraw/zinc/63/63/44/390636344.db2.gz OSPIYKLEHFFAKG-RYUDHWBXSA-N 1 0 251.326 1.367 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](CCO)CCCO)cc1F ZINC000093323919 390902002 /nfs/dbraw/zinc/90/20/02/390902002.db2.gz SWZGYPUXZBCBOZ-UHFFFAOYSA-N 1 0 298.402 1.849 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCC1(O)CCOCC1)CC2 ZINC000297421181 285396793 /nfs/dbraw/zinc/39/67/93/285396793.db2.gz UROJTGKQFYKWGQ-ZDUSSCGKSA-N 1 0 277.364 1.901 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)OCCO)c1 ZINC000287360861 392123505 /nfs/dbraw/zinc/12/35/05/392123505.db2.gz OBIAPSPUZHHHPN-LLVKDONJSA-N 1 0 283.368 1.839 20 10 CDCDRO COc1cc(Cl)cc(CN(C)CC(=O)N(C)C)c1O ZINC000184674846 262291813 /nfs/dbraw/zinc/29/18/13/262291813.db2.gz SQMMIXHEEKOMKK-UHFFFAOYSA-N 1 0 286.759 1.574 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186202688 262312082 /nfs/dbraw/zinc/31/20/82/262312082.db2.gz XCCADAVDHANGON-GHMZBOCLSA-N 1 0 269.341 1.449 20 10 CDCDRO Cc1nnc2n1CCN(Cc1cc(C)ccc1O)C2 ZINC000371377608 267397872 /nfs/dbraw/zinc/39/78/72/267397872.db2.gz DIDOFNNMINARIF-UHFFFAOYSA-N 1 0 258.325 1.616 20 10 CDCDRO COC(=O)N1CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297137399 277332887 /nfs/dbraw/zinc/33/28/87/277332887.db2.gz ZFNVDLKMCDLUFA-NSHDSACASA-N 1 0 262.309 1.420 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1O ZINC000278565121 328227415 /nfs/dbraw/zinc/22/74/15/328227415.db2.gz BTEGMXPVDCWUAG-BXKDBHETSA-N 1 0 296.323 1.512 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000292991634 328274359 /nfs/dbraw/zinc/27/43/59/328274359.db2.gz GAKZAXMCNBVZLV-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO Cc1cccc(C[NH2+]CCCc2cnn(C)n2)c1O ZINC000293755592 328277489 /nfs/dbraw/zinc/27/74/89/328277489.db2.gz XGDGFCLYUGJADB-UHFFFAOYSA-N 1 0 260.341 1.552 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000182210610 329240795 /nfs/dbraw/zinc/24/07/95/329240795.db2.gz KPNUJJNRLLRMLF-CQSZACIVSA-N 1 0 253.342 1.578 20 10 CDCDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000291378502 519627155 /nfs/dbraw/zinc/62/71/55/519627155.db2.gz ZXXPBFIRDPHRAF-GFCCVEGCSA-N 1 0 279.384 1.920 20 10 CDCDRO CC(C)C[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000037821684 519723635 /nfs/dbraw/zinc/72/36/35/519723635.db2.gz PEQGREQESOBEKC-UHFFFAOYSA-N 1 0 275.396 1.612 20 10 CDCDRO CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[NH+](C)C ZINC000274962684 519789588 /nfs/dbraw/zinc/78/95/88/519789588.db2.gz UGOBLHYRKMKWMA-ABAIWWIYSA-N 1 0 294.395 1.731 20 10 CDCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000292641885 519796195 /nfs/dbraw/zinc/79/61/95/519796195.db2.gz ZRMWUIWHVGDEIU-OAHLLOKOSA-N 1 0 276.380 1.871 20 10 CDCDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1O ZINC000289602214 519828441 /nfs/dbraw/zinc/82/84/41/519828441.db2.gz BRUSJJIBZSMQEP-TZMCWYRMSA-N 1 0 262.353 1.643 20 10 CDCDRO CCOC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000069276353 520157045 /nfs/dbraw/zinc/15/70/45/520157045.db2.gz MUSVMXQEAPKQCE-OAHLLOKOSA-N 1 0 294.395 1.215 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H](CO)COC)c(O)c1 ZINC000279816565 520375231 /nfs/dbraw/zinc/37/52/31/520375231.db2.gz PCEYKWXHTHFVPY-GFCCVEGCSA-N 1 0 269.341 1.278 20 10 CDCDRO CCOc1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O ZINC000128224042 521340460 /nfs/dbraw/zinc/34/04/60/521340460.db2.gz SECFRWSHPAQPCC-AWEZNQCLSA-N 1 0 294.395 1.553 20 10 CDCDRO CCC[N@H+](CCC(=O)NC(N)=O)Cc1ccccc1O ZINC000103479543 521628797 /nfs/dbraw/zinc/62/87/97/521628797.db2.gz BECXACJZSCQXGI-UHFFFAOYSA-N 1 0 279.340 1.189 20 10 CDCDRO C[N@H+](CCCn1ccnc1)Cc1cc2c(cc1O)OCO2 ZINC000130627373 522806219 /nfs/dbraw/zinc/80/62/19/522806219.db2.gz KSAPBIZIOSHCAZ-UHFFFAOYSA-N 1 0 289.335 1.840 20 10 CDCDRO CN(C[C@@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)OCO2 ZINC000289402722 523010593 /nfs/dbraw/zinc/01/05/93/523010593.db2.gz SVOFWSBNHZFZSJ-ZDUSSCGKSA-N 1 0 278.352 1.307 20 10 CDCDRO COc1ccc(-n2c(C)cc(C(=O)NCC[NH3+])c2C)cc1 ZINC000237304332 523314113 /nfs/dbraw/zinc/31/41/13/523314113.db2.gz GHUSZBOYONATTM-UHFFFAOYSA-N 1 0 287.363 1.791 20 10 CDCDRO C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C[NH3+])C1 ZINC000261672193 524242279 /nfs/dbraw/zinc/24/22/79/524242279.db2.gz CSTMARSGWGKZJF-FZMZJTMJSA-N 1 0 261.369 1.397 20 10 CDCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000131182686 524658766 /nfs/dbraw/zinc/65/87/66/524658766.db2.gz RRTLSXVYWLWYBT-XIKOKIGWSA-N 1 0 268.426 1.951 20 10 CDCDRO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000278620394 525236093 /nfs/dbraw/zinc/23/60/93/525236093.db2.gz HISGZBMLUUIQED-ZDUSSCGKSA-N 1 0 283.393 1.791 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1C ZINC000280387991 525322184 /nfs/dbraw/zinc/32/21/84/525322184.db2.gz WLPGFEFYWBJDRN-DZGCQCFKSA-N 1 0 279.380 1.744 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000130870195 525339484 /nfs/dbraw/zinc/33/94/84/525339484.db2.gz ITYJSZBQVGCJNQ-PIGZYNQJSA-N 1 0 255.383 1.899 20 10 CDCDRO CCOc1ccc(C[NH2+]CC(=O)NC2CC2)c(O)c1 ZINC000725845338 574443781 /nfs/dbraw/zinc/44/37/81/574443781.db2.gz XRKSELJJYZSRTD-UHFFFAOYSA-N 1 0 264.325 1.159 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C1CCN(C(C)=O)CC1 ZINC000727644785 574592836 /nfs/dbraw/zinc/59/28/36/574592836.db2.gz RLQXAXMXNDOUFM-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO C[NH+](C)CCCCC(=O)NCc1ccccc1O ZINC000729529977 574815197 /nfs/dbraw/zinc/81/51/97/574815197.db2.gz QYSZOISLIMNPFF-UHFFFAOYSA-N 1 0 250.342 1.740 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000732284126 575086791 /nfs/dbraw/zinc/08/67/91/575086791.db2.gz JHSRMFHQHJBQBS-VIFPVBQESA-N 1 0 254.355 1.620 20 10 CDCDRO Nc1nc(-n2cccn2)cc(NCc2ccccc2O)[nH+]1 ZINC000774524398 575211759 /nfs/dbraw/zinc/21/17/59/575211759.db2.gz SAAREOIEPSZEDK-UHFFFAOYSA-N 1 0 282.307 1.562 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCNC(=O)C(C)C)c(O)c1 ZINC000770378312 575473888 /nfs/dbraw/zinc/47/38/88/575473888.db2.gz CFEJBRMWLAZQBN-UHFFFAOYSA-N 1 0 294.395 1.995 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000771938474 575639284 /nfs/dbraw/zinc/63/92/84/575639284.db2.gz MAORWIQGENVGOH-ZDUSSCGKSA-N 1 0 292.379 1.749 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c1 ZINC000765794796 576056243 /nfs/dbraw/zinc/05/62/43/576056243.db2.gz FQHMYQANNFTFEM-UONOGXRCSA-N 1 0 292.379 1.795 20 10 CDCDRO CC[N@H+](CCOC)Cc1ccc(N2CCOCC2)cc1 ZINC000768251393 576267318 /nfs/dbraw/zinc/26/73/18/576267318.db2.gz DJWIYSXLPDVXME-UHFFFAOYSA-N 1 0 278.396 1.992 20 10 CDCDRO COc1cc(C[N@H+](C)[C@H]2CCOC2)c(O)cc1C ZINC000768452066 576285139 /nfs/dbraw/zinc/28/51/39/576285139.db2.gz NTUCBCFBRNMIFM-LBPRGKRZSA-N 1 0 251.326 1.930 20 10 CDCDRO COc1cccc(C[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000744449119 576681480 /nfs/dbraw/zinc/68/14/80/576681480.db2.gz AQCUFXIKNBTRRT-GFCCVEGCSA-N 1 0 264.369 1.832 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000763478107 576738727 /nfs/dbraw/zinc/73/87/27/576738727.db2.gz AIEYHWGCGDOYTK-AWEZNQCLSA-N 1 0 267.325 1.296 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC000748242781 576902827 /nfs/dbraw/zinc/90/28/27/576902827.db2.gz QJQVJYWELPNULJ-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1 ZINC000756759996 577003149 /nfs/dbraw/zinc/00/31/49/577003149.db2.gz NAVIDBLQVSYGMK-MQIPJXDCSA-N 1 0 294.395 1.771 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000757864496 577058415 /nfs/dbraw/zinc/05/84/15/577058415.db2.gz HPDFHADGNNKFCH-UHFFFAOYSA-N 1 0 295.383 1.494 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000858580642 617200071 /nfs/dbraw/zinc/20/00/71/617200071.db2.gz SOZXKBWPIJJNEE-MNOVXSKESA-N 1 0 266.341 1.760 20 10 CDCDRO C[C@H](NC(=O)NCC(C)(C)[NH3+])c1ccccc1O ZINC000892035022 617428615 /nfs/dbraw/zinc/42/86/15/617428615.db2.gz ZPFFZPFIKBXCRG-VIFPVBQESA-N 1 0 251.330 1.490 20 10 CDCDRO O=C(NCc1ccccc1O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892594288 617525490 /nfs/dbraw/zinc/52/54/90/617525490.db2.gz TUPVGHHZYZJTJF-UBSAEIQESA-N 1 0 289.379 1.722 20 10 CDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000892199307 617546050 /nfs/dbraw/zinc/54/60/50/617546050.db2.gz MCNNFESQXSANSE-DCAQKATOSA-N 1 0 265.357 1.878 20 10 CDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000892199311 617546088 /nfs/dbraw/zinc/54/60/88/617546088.db2.gz MCNNFESQXSANSE-MXWKQRLJSA-N 1 0 265.357 1.878 20 10 CDCDRO COc1ccc(C[N@H+](C)C2CC(O)C2)c(O)c1OC ZINC000893577875 617611733 /nfs/dbraw/zinc/61/17/33/617611733.db2.gz IDUXKTNAPLOVNE-UHFFFAOYSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c(O)c1OC ZINC000893707117 617893935 /nfs/dbraw/zinc/89/39/35/617893935.db2.gz NNVXNFVDPVPCKL-NWDGAFQWSA-N 1 0 281.352 1.658 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CCO)C(C)C)c(O)c1OC ZINC000893056259 618107518 /nfs/dbraw/zinc/10/75/18/618107518.db2.gz KYVJBDQKJUZSLG-LBPRGKRZSA-N 1 0 283.368 1.906 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CCNC(=O)N(C)C)c1O ZINC000894374222 618831002 /nfs/dbraw/zinc/83/10/02/618831002.db2.gz FCZHFSONETZNDS-UHFFFAOYSA-N 1 0 295.383 1.412 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](CO)C(C)C)c(O)c1OC ZINC000894442947 618888694 /nfs/dbraw/zinc/88/86/94/618888694.db2.gz ATJOFZMVDKPQIG-LBPRGKRZSA-N 1 0 283.368 1.764 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCC(O)CC2)c1O ZINC000894915836 619142057 /nfs/dbraw/zinc/14/20/57/619142057.db2.gz GRWWZVUKQMDYSJ-UHFFFAOYSA-N 1 0 294.395 1.256 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)C2CCC2)c1O ZINC000894939362 619156251 /nfs/dbraw/zinc/15/62/51/619156251.db2.gz CUKISDPNJIIADA-ZDUSSCGKSA-N 1 0 265.353 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000895083233 619272396 /nfs/dbraw/zinc/27/23/96/619272396.db2.gz IMWIQDMJSFUDLC-JQWIXIFHSA-N 1 0 251.326 1.976 20 10 CDCDRO COc1cccc(O)c1CNCC[C@@H](C)[NH+](C)C ZINC000895299024 619528158 /nfs/dbraw/zinc/52/81/58/619528158.db2.gz FREPZPKGVZJQEE-LLVKDONJSA-N 1 0 252.358 1.831 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC(C)=NO1 ZINC000895310474 619540143 /nfs/dbraw/zinc/54/01/43/619540143.db2.gz HVPXHEOZQPMXQW-SNVBAGLBSA-N 1 0 250.298 1.655 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC000895315316 619544542 /nfs/dbraw/zinc/54/45/42/619544542.db2.gz DICAYKUCFUXZBK-GFCCVEGCSA-N 1 0 264.325 1.015 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c(O)c1OC ZINC000895458328 619675187 /nfs/dbraw/zinc/67/51/87/619675187.db2.gz XRBZUQSHFAUOLP-MEDUHNTESA-N 1 0 295.379 1.860 20 10 CDCDRO CCc1cccc(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1O ZINC000895575573 619732883 /nfs/dbraw/zinc/73/28/83/619732883.db2.gz HXJJUPWYRCDHPD-IYBDPMFKSA-N 1 0 288.391 1.865 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000865710886 621019271 /nfs/dbraw/zinc/01/92/71/621019271.db2.gz FWCIWHQEQNQJEQ-RDDDGLTNSA-N 1 0 279.258 1.802 20 10 CDCDRO CCOc1ccc(O)c(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000841041641 621550733 /nfs/dbraw/zinc/55/07/33/621550733.db2.gz CJWGGIPBURVHKJ-GFCCVEGCSA-N 1 0 250.342 1.633 20 10 CDCDRO O=C(NCc1ccc(O)cc1O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000910942271 629124221 /nfs/dbraw/zinc/12/42/21/629124221.db2.gz ATVVUXKYGTYABE-AWEZNQCLSA-N 1 0 290.363 1.731 20 10 CDCDRO CN(C)c1ccc(CN2CCCO[C@H](C[NH3+])C2)cc1F ZINC000841101204 630596003 /nfs/dbraw/zinc/59/60/03/630596003.db2.gz RRKIQKNWDOPNAK-CYBMUJFWSA-N 1 0 281.375 1.441 20 10 CDCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000154430432 632237717 /nfs/dbraw/zinc/23/77/17/632237717.db2.gz KCYGIHCQGACOKJ-CQSZACIVSA-N 1 0 279.336 1.856 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCN2CCC2)cc1OC ZINC000776253893 679195515 /nfs/dbraw/zinc/19/55/15/679195515.db2.gz WMZBZHBRBIYJNC-UHFFFAOYSA-N 1 0 266.341 1.205 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+]C[C@@H]2C)cc1OC ZINC000843047189 679376022 /nfs/dbraw/zinc/37/60/22/679376022.db2.gz JDPNCDKMHJGBON-JTQLQIEISA-N 1 0 266.341 1.203 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CCC(C)C)c(O)c1 ZINC000876910490 679433552 /nfs/dbraw/zinc/43/35/52/679433552.db2.gz DDMCMGOFCYKQFG-ZDUSSCGKSA-N 1 0 280.368 1.781 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]([NH3+])C3CCC3)ccc21 ZINC000827913752 677725011 /nfs/dbraw/zinc/72/50/11/677725011.db2.gz KQJFJFZKBQDMJU-MRXNPFEDSA-N 1 0 287.407 1.813 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](C(=O)OC)C2)c(O)c1 ZINC000827812219 677846859 /nfs/dbraw/zinc/84/68/59/677846859.db2.gz GGCSMRUWLPKHKQ-HAQNSBGRSA-N 1 0 279.336 1.832 20 10 CDCDRO CC[NH2+]Cc1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880996192 677926311 /nfs/dbraw/zinc/92/63/11/677926311.db2.gz PTFOIBMJKNTVJG-UHFFFAOYSA-N 1 0 292.314 1.483 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000835060053 677944977 /nfs/dbraw/zinc/94/49/77/677944977.db2.gz IFEOKEMIMMYJGC-OAHLLOKOSA-N 1 0 278.352 1.549 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094395 677959602 /nfs/dbraw/zinc/95/96/02/677959602.db2.gz FZPLXUMZXKTZOM-UHFFFAOYSA-N 1 0 294.420 1.587 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000775130600 678010278 /nfs/dbraw/zinc/01/02/78/678010278.db2.gz MQBKHMUXZRLLCG-CHWSQXEVSA-N 1 0 283.368 1.457 20 10 CDCDRO OC[C@]12C[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000783744133 678013572 /nfs/dbraw/zinc/01/35/72/678013572.db2.gz SUHBBJCOGWBHJM-DOTOQJQBSA-N 1 0 288.391 1.337 20 10 CDCDRO O=C(C[NH2+]Cc1ccc2ccccc2c1O)NC1CC1 ZINC000839099367 678066635 /nfs/dbraw/zinc/06/66/35/678066635.db2.gz XMYJXBXYGSFSFG-UHFFFAOYSA-N 1 0 270.332 1.914 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000858120774 678069444 /nfs/dbraw/zinc/06/94/44/678069444.db2.gz LZMPRYXIWYQSQO-CQSZACIVSA-N 1 0 291.395 1.984 20 10 CDCDRO CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccc(N)cc1 ZINC000877077481 678080654 /nfs/dbraw/zinc/08/06/54/678080654.db2.gz JZUMQZSHCKMXSN-LLVKDONJSA-N 1 0 269.295 1.476 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@H](C)O[C@H](CO)C2)c1 ZINC000191534310 678151471 /nfs/dbraw/zinc/15/14/71/678151471.db2.gz VLVLWRHWAOPQMC-FZMZJTMJSA-N 1 0 281.352 1.373 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876580913 678147319 /nfs/dbraw/zinc/14/73/19/678147319.db2.gz UQQAEBDYXAMUHR-AWEZNQCLSA-N 1 0 262.353 1.801 20 10 CDCDRO CSCC[C@@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877077710 678164334 /nfs/dbraw/zinc/16/43/34/678164334.db2.gz RUGPPKLUSRSKSA-LLVKDONJSA-N 1 0 253.371 1.312 20 10 CDCDRO COc1ccc(CNC(=O)CC[NH2+]C2CC2)c(O)c1 ZINC000848429849 679675484 /nfs/dbraw/zinc/67/54/84/679675484.db2.gz WPVPNWVWANLGEI-UHFFFAOYSA-N 1 0 264.325 1.159 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877046011 679689110 /nfs/dbraw/zinc/68/91/10/679689110.db2.gz GVTIDNZNDLBHEL-CQSZACIVSA-N 1 0 264.369 1.511 20 10 CDCDRO COc1cccc(C[NH2+]CCO[C@H]2CCOC2)c1O ZINC000922939569 679698433 /nfs/dbraw/zinc/69/84/33/679698433.db2.gz QQSYTQMLGZRANX-LBPRGKRZSA-N 1 0 267.325 1.296 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[NH2+]CC2)cc1F ZINC000841758713 677792988 /nfs/dbraw/zinc/79/29/88/677792988.db2.gz CWNKGOKRQAWHMH-UHFFFAOYSA-N 1 0 294.374 1.397 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1O ZINC000846150865 677803549 /nfs/dbraw/zinc/80/35/49/677803549.db2.gz RUWBSHGYHUEZAS-SDDRHHMPSA-N 1 0 263.337 1.988 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](O)C2)cc1OC ZINC000827827668 677837497 /nfs/dbraw/zinc/83/74/97/677837497.db2.gz WXAJLPVYICFFQA-MGCOHNPYSA-N 1 0 253.298 1.022 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c(O)c1 ZINC000832178880 677838791 /nfs/dbraw/zinc/83/87/91/677838791.db2.gz YSXBOOQKIZZABT-CZUORRHYSA-N 1 0 292.379 1.925 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCN(C)CCOCCO)cc1C ZINC000883350455 677977734 /nfs/dbraw/zinc/97/77/34/677977734.db2.gz GUOSOHZEKZEPHL-UHFFFAOYSA-N 1 0 296.411 1.039 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+][C@H](C)C2)cc1OC ZINC000775638854 678096826 /nfs/dbraw/zinc/09/68/26/678096826.db2.gz JDTLFYBCYPUNFU-SNVBAGLBSA-N 1 0 266.341 1.203 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000846168313 678176295 /nfs/dbraw/zinc/17/62/95/678176295.db2.gz RYIVIIWDWSDJKM-ZJUUUORDSA-N 1 0 284.331 1.526 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCN1CC[C@@H](O)C1)CC2 ZINC000858546880 678198166 /nfs/dbraw/zinc/19/81/66/678198166.db2.gz AWPPLYQJYSUFIW-CHWSQXEVSA-N 1 0 262.353 1.036 20 10 CDCDRO COCCC[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000189923511 678208133 /nfs/dbraw/zinc/20/81/33/678208133.db2.gz MLKJTLZZMXYBOP-UHFFFAOYSA-N 1 0 299.342 1.565 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC000779199483 678243611 /nfs/dbraw/zinc/24/36/11/678243611.db2.gz BAFUPQRBKUMAPD-BXUZGUMPSA-N 1 0 265.353 1.994 20 10 CDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000825279034 678262026 /nfs/dbraw/zinc/26/20/26/678262026.db2.gz LQDDQGIAJZCJIG-BDAKNGLRSA-N 1 0 268.744 1.789 20 10 CDCDRO CCn1nccc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045801 678293592 /nfs/dbraw/zinc/29/35/92/678293592.db2.gz QJSDFGJOHKMHTL-INIZCTEOSA-N 1 0 287.411 1.759 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cscn2)cc1 ZINC000832273525 678346500 /nfs/dbraw/zinc/34/65/00/678346500.db2.gz ONHMFQMYXJDWSN-LBPRGKRZSA-N 1 0 290.392 1.639 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c(O)c1 ZINC000794378200 678366207 /nfs/dbraw/zinc/36/62/07/678366207.db2.gz DMXGEUNMILBHQD-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000294026777 678391704 /nfs/dbraw/zinc/39/17/04/678391704.db2.gz NWPCCSLNSLSPER-LLVKDONJSA-N 1 0 279.336 1.715 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000129473825 678393594 /nfs/dbraw/zinc/39/35/94/678393594.db2.gz KNAJTQXBIGTJQU-KRWDZBQOSA-N 1 0 290.407 1.870 20 10 CDCDRO COc1c([O-])c(C[NH2+]C2([C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000827586446 678424488 /nfs/dbraw/zinc/42/44/88/678424488.db2.gz XZCJQMPDHFPCIU-QMMMGPOBSA-N 1 0 282.296 1.312 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2nncn2C)c1O ZINC000846148335 678461031 /nfs/dbraw/zinc/46/10/31/678461031.db2.gz ZRESAWRHUPLLIJ-UWVGGRQHSA-N 1 0 276.340 1.941 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H]3[C@@H](C1)C3(F)F)[C@H](O)CO2 ZINC000844758562 678465328 /nfs/dbraw/zinc/46/53/28/678465328.db2.gz TXADFAZTCOLBQR-JFGNBEQYSA-N 1 0 283.274 1.515 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(CC)C2)c1 ZINC000824886869 678567018 /nfs/dbraw/zinc/56/70/18/678567018.db2.gz MMBYQHIOUKZDAV-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000883900755 678622202 /nfs/dbraw/zinc/62/22/02/678622202.db2.gz QBPYUPPUILHZTB-LBPRGKRZSA-N 1 0 297.786 1.939 20 10 CDCDRO Cc1ccc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(O)c1 ZINC000877460333 678639464 /nfs/dbraw/zinc/63/94/64/678639464.db2.gz PLOACSGJSXMHGV-CQSZACIVSA-N 1 0 292.423 1.978 20 10 CDCDRO COC[C@]1(C(=O)N(C)Cc2ccccc2O)CCCC[NH2+]1 ZINC000876606161 678702854 /nfs/dbraw/zinc/70/28/54/678702854.db2.gz WGJOBORZXDAJPX-INIZCTEOSA-N 1 0 292.379 1.509 20 10 CDCDRO C[N@H+](C[C@@H](O)CNCc1ccc2c(c1)CCO2)C1CC1 ZINC000818996263 678736406 /nfs/dbraw/zinc/73/64/06/678736406.db2.gz CYDYSZIWQJVRIH-HNNXBMFYSA-N 1 0 276.380 1.166 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846668366 678739334 /nfs/dbraw/zinc/73/93/34/678739334.db2.gz LGGUJDDORBYQJC-GFCCVEGCSA-N 1 0 262.353 1.740 20 10 CDCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841904654 678750411 /nfs/dbraw/zinc/75/04/11/678750411.db2.gz RMJUETXTTDOIDU-ZDUSSCGKSA-N 1 0 292.427 1.839 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843487568 678796596 /nfs/dbraw/zinc/79/65/96/678796596.db2.gz IVWBRMXJVIFEOE-ZSHCYNCHSA-N 1 0 287.407 1.567 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000707937112 678820543 /nfs/dbraw/zinc/82/05/43/678820543.db2.gz GMDGMFVBQLTZLY-GFCCVEGCSA-N 1 0 263.385 1.709 20 10 CDCDRO COCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876564835 678829524 /nfs/dbraw/zinc/82/95/24/678829524.db2.gz OZFBSXRPCVXRFI-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCN([C@H]3CCOC3)CC2)cc1C ZINC000853550837 678863377 /nfs/dbraw/zinc/86/33/77/678863377.db2.gz MPWAVSPGDFRBLD-INIZCTEOSA-N 1 0 290.407 1.916 20 10 CDCDRO C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817964651 678873573 /nfs/dbraw/zinc/87/35/73/678873573.db2.gz HDARHYOMCNUXMS-VIFPVBQESA-N 1 0 265.313 1.832 20 10 CDCDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)O1 ZINC000398126556 678876324 /nfs/dbraw/zinc/87/63/24/678876324.db2.gz TXKDBNJUUWZHEQ-GXSJLCMTSA-N 1 0 265.309 1.778 20 10 CDCDRO C[N@H+](Cc1ccc(Br)cc1O)[C@H]1CCNC1=O ZINC000824943636 678878757 /nfs/dbraw/zinc/87/87/57/678878757.db2.gz PSKADHVHJNTCDE-JTQLQIEISA-N 1 0 299.168 1.475 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1c(C)cccc1O ZINC000877398478 678892354 /nfs/dbraw/zinc/89/23/54/678892354.db2.gz FVIUIYIILPAFDV-UHFFFAOYSA-N 1 0 252.358 1.104 20 10 CDCDRO CCCN(CC[NH+](C)C)C(=O)c1c(F)ccc(O)c1O ZINC000827420790 678898609 /nfs/dbraw/zinc/89/86/09/678898609.db2.gz VGGGIAJXTRUSPS-UHFFFAOYSA-N 1 0 284.331 1.651 20 10 CDCDRO Cc1cccc(C[N@H+](C)CCN2CCCC2=O)c1O ZINC000775691082 678926452 /nfs/dbraw/zinc/92/64/52/678926452.db2.gz KZOVXSSFJAGSHU-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841893772 678928304 /nfs/dbraw/zinc/92/83/04/678928304.db2.gz IZPWJIFTIOHBET-JTQLQIEISA-N 1 0 286.322 1.830 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H](C)CCO)C2)cc1 ZINC000818342237 678935480 /nfs/dbraw/zinc/93/54/80/678935480.db2.gz NNVDYIHQZSXGLQ-UONOGXRCSA-N 1 0 278.396 1.882 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2OC)c(O)c1 ZINC000842752477 678937948 /nfs/dbraw/zinc/93/79/48/678937948.db2.gz MXJLTXVHRNTARG-TZMCWYRMSA-N 1 0 267.325 1.294 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)c1O ZINC000846143732 678939091 /nfs/dbraw/zinc/93/90/91/678939091.db2.gz GKKKDPTZQCQVCE-OLZOCXBDSA-N 1 0 294.395 1.772 20 10 CDCDRO Oc1ccccc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846109913 678948891 /nfs/dbraw/zinc/94/88/91/678948891.db2.gz KNSTYFUCPSGNOW-CQSZACIVSA-N 1 0 251.326 1.413 20 10 CDCDRO CN(C(=O)c1cccc2c1CC[NH2+]C2)c1cn[nH]c1 ZINC000852872864 678949255 /nfs/dbraw/zinc/94/92/55/678949255.db2.gz SMAUCIQDKGUPGG-UHFFFAOYSA-N 1 0 256.309 1.332 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000827549230 678961841 /nfs/dbraw/zinc/96/18/41/678961841.db2.gz FCZFQRZRYMLDOC-OAHLLOKOSA-N 1 0 294.370 1.874 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)C2(CO)CC2)c1 ZINC000827904265 678961857 /nfs/dbraw/zinc/96/18/57/678961857.db2.gz YHIBRVXJIOWJIS-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000818123349 678976181 /nfs/dbraw/zinc/97/61/81/678976181.db2.gz RRMBHFOVARYUEJ-JGVFFNPUSA-N 1 0 257.384 1.089 20 10 CDCDRO COc1ccc(C[NH2+]CC2(CC(N)=O)CC2)cc1C ZINC000817410946 678996554 /nfs/dbraw/zinc/99/65/54/678996554.db2.gz KNHMAQVKVBKRDB-UHFFFAOYSA-N 1 0 262.353 1.749 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000211268111 679001097 /nfs/dbraw/zinc/00/10/97/679001097.db2.gz GGJRYKYPOAOKLN-ZDUSSCGKSA-N 1 0 290.363 1.598 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815021711 679013853 /nfs/dbraw/zinc/01/38/53/679013853.db2.gz SSRCEZBUTCIYTP-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000840963081 679022019 /nfs/dbraw/zinc/02/20/19/679022019.db2.gz PZNIGEUGKTZXJK-IUODEOHRSA-N 1 0 295.379 1.668 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000841859355 679030462 /nfs/dbraw/zinc/03/04/62/679030462.db2.gz LDNPVYHOPKAVFP-UHFFFAOYSA-N 1 0 285.395 1.970 20 10 CDCDRO C[C@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000832497487 679093267 /nfs/dbraw/zinc/09/32/67/679093267.db2.gz HBYOOVNWZROXMC-WCQYABFASA-N 1 0 261.369 1.316 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCC1(O)CCOCC1 ZINC000796465030 679094240 /nfs/dbraw/zinc/09/42/40/679094240.db2.gz DOTGUUXZSGEZCA-UHFFFAOYSA-N 1 0 281.352 1.422 20 10 CDCDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841059230 679105363 /nfs/dbraw/zinc/10/53/63/679105363.db2.gz NQUDPRAMTGFBHB-RHSMWYFYSA-N 1 0 289.423 1.611 20 10 CDCDRO Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825278910 679121386 /nfs/dbraw/zinc/12/13/86/679121386.db2.gz KZHSIAYGWNQERP-AWEZNQCLSA-N 1 0 291.395 1.936 20 10 CDCDRO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843052129 679134043 /nfs/dbraw/zinc/13/40/43/679134043.db2.gz GUBUPQQJMZZELM-VIFPVBQESA-N 1 0 299.758 1.995 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)[C@H]2CCNC2=O)c(O)c1 ZINC000799737394 679136529 /nfs/dbraw/zinc/13/65/29/679136529.db2.gz CXSPTUWDMFUAIU-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO C=Cn1cc(C[NH2+]Cc2cccc(OC)c2O)cn1 ZINC000809740469 679144442 /nfs/dbraw/zinc/14/44/42/679144442.db2.gz ZSMDZEGXRYFKOJ-UHFFFAOYSA-N 1 0 259.309 1.988 20 10 CDCDRO C[C@@H](NC1C[NH2+]C1)c1ccc(Br)cc1O ZINC000817956266 679156194 /nfs/dbraw/zinc/15/61/94/679156194.db2.gz VFLWVCGPNPSDQO-SSDOTTSWSA-N 1 0 271.158 1.777 20 10 CDCDRO C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000822081512 679157759 /nfs/dbraw/zinc/15/77/59/679157759.db2.gz DXJPZPDBNMRJFK-VXGBXAGGSA-N 1 0 263.385 1.880 20 10 CDCDRO CC(=O)NC[C@H]1CN(Cc2cc(C)cc(C)c2O)CCO1 ZINC000178889890 679161407 /nfs/dbraw/zinc/16/14/07/679161407.db2.gz XVDXAXMZFKRAFG-HNNXBMFYSA-N 1 0 292.379 1.346 20 10 CDCDRO COCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097780 679179480 /nfs/dbraw/zinc/17/94/80/679179480.db2.gz SENPMKXGUHEPAS-AWEZNQCLSA-N 1 0 279.384 1.118 20 10 CDCDRO COC(=O)CC1CC([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000822476767 679181392 /nfs/dbraw/zinc/18/13/92/679181392.db2.gz VYDFLDNBBWKPPU-UHFFFAOYSA-N 1 0 279.336 1.832 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000846143087 679182327 /nfs/dbraw/zinc/18/23/27/679182327.db2.gz APNCLPQWPMRRLV-GXFFZTMASA-N 1 0 291.351 1.519 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000877629560 679188876 /nfs/dbraw/zinc/18/88/76/679188876.db2.gz VRHYTCKAYJNADX-GXTWGEPZSA-N 1 0 274.364 1.801 20 10 CDCDRO COc1cccc(O)c1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857226528 679204383 /nfs/dbraw/zinc/20/43/83/679204383.db2.gz QNMLAYQGMUXPGL-NHYWBVRUSA-N 1 0 262.353 1.714 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000922641590 679210902 /nfs/dbraw/zinc/21/09/02/679210902.db2.gz PCHRTVNFHYWRII-ZWNOBZJWSA-N 1 0 251.326 1.915 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C)cc1 ZINC000305115041 679350538 /nfs/dbraw/zinc/35/05/38/679350538.db2.gz HOWWSFCEDZKQQC-BBRMVZONSA-N 1 0 279.428 1.716 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000846698451 679367702 /nfs/dbraw/zinc/36/77/02/679367702.db2.gz GYRMXVSLPJQUEP-UHFFFAOYSA-N 1 0 261.369 1.399 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C/C=C\CO)CC2)cc1 ZINC000850357564 679408042 /nfs/dbraw/zinc/40/80/42/679408042.db2.gz NUYVPSGQVBPXCH-IHWYPQMZSA-N 1 0 276.380 1.802 20 10 CDCDRO CNC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000848993590 679424010 /nfs/dbraw/zinc/42/40/10/679424010.db2.gz OKRQXWUWTONEIA-UHFFFAOYSA-N 1 0 264.398 1.484 20 10 CDCDRO C[N@H+](Cc1cc(F)ccc1O)[C@]1(CO)CCOC1 ZINC000862426265 679429766 /nfs/dbraw/zinc/42/97/66/679429766.db2.gz BYPDJZKTECXBPB-ZDUSSCGKSA-N 1 0 255.289 1.115 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)CC1=O ZINC000391497415 679457886 /nfs/dbraw/zinc/45/78/86/679457886.db2.gz TVXQAEDGUVLCLY-NEPJUHHUSA-N 1 0 262.353 1.972 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1C ZINC000840962613 679460977 /nfs/dbraw/zinc/46/09/77/679460977.db2.gz LPJMVFLHHLYILZ-ZFWWWQNUSA-N 1 0 279.380 1.886 20 10 CDCDRO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877320715 679503258 /nfs/dbraw/zinc/50/32/58/679503258.db2.gz RTHSIKBEDVAKPC-ZDUSSCGKSA-N 1 0 278.396 1.460 20 10 CDCDRO OC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCOC1 ZINC000840964331 679514537 /nfs/dbraw/zinc/51/45/37/679514537.db2.gz ZZTUCCAUKLPKCC-GXFFZTMASA-N 1 0 285.771 1.923 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccccc1O ZINC000870988077 679567948 /nfs/dbraw/zinc/56/79/48/679567948.db2.gz FWWTUPFGTURDHP-HCKVZZMMSA-N 1 0 260.337 1.569 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000876742526 679570021 /nfs/dbraw/zinc/57/00/21/679570021.db2.gz YBWURIHRDKLJBB-LBPRGKRZSA-N 1 0 275.396 1.683 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCO[C@@H]2CCOC2)c1 ZINC000922938675 679599450 /nfs/dbraw/zinc/59/94/50/679599450.db2.gz SZKLAMQINOMUNQ-CYBMUJFWSA-N 1 0 251.326 1.596 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CO)CC2)c1 ZINC000122322814 679618518 /nfs/dbraw/zinc/61/85/18/679618518.db2.gz TZABCJMKOQTRGY-JTQLQIEISA-N 1 0 251.326 1.824 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1 ZINC000793395385 1162418273 /nfs/dbraw/zinc/41/82/73/1162418273.db2.gz ODORDLAYCPFPOB-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000877055635 1165966724 /nfs/dbraw/zinc/96/67/24/1165966724.db2.gz DHNCVCJAOAIHGH-CYBMUJFWSA-N 1 0 255.383 1.904 20 10 CDCDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC001576245008 1171370307 /nfs/dbraw/zinc/37/03/07/1171370307.db2.gz NEZCERYCQUFYKD-QWRGUYRKSA-N 1 0 279.340 1.778 20 10 CDCDRO CN(C)c1cc(F)c(CNC[C@@H]2CC[NH2+]2)cc1F ZINC001578422880 1171905741 /nfs/dbraw/zinc/90/57/41/1171905741.db2.gz KQDPNEPBUUOXMT-JTQLQIEISA-N 1 0 255.312 1.482 20 10 CDCDRO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001580368208 1172415323 /nfs/dbraw/zinc/41/53/23/1172415323.db2.gz MVNBBHLCJRAGDR-QWHCGFSZSA-N 1 0 278.352 1.622 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC000134143358 1175813046 /nfs/dbraw/zinc/81/30/46/1175813046.db2.gz PFPAZQWDXLORMQ-CQSZACIVSA-N 1 0 292.379 1.307 20 10 CDCDRO CC(C)OC[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252679945 1164985776 /nfs/dbraw/zinc/98/57/76/1164985776.db2.gz JHBQADIMKBFQRJ-ZDUSSCGKSA-N 1 0 265.353 1.536 20 10 CDCDRO COCC[C@@H]([NH3+])CNCc1ccc(N(C)C)cc1C ZINC001579003826 1167697441 /nfs/dbraw/zinc/69/74/41/1167697441.db2.gz LVRXDZAIEGEDOL-CQSZACIVSA-N 1 0 265.401 1.514 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@]1(C)O ZINC001233483362 912818874 /nfs/dbraw/zinc/81/88/74/912818874.db2.gz XEEANFSOJBWKJE-BONVTDFDSA-N 1 0 281.352 1.786 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3cnc(N)nc3)cc2)CC1 ZINC001167434536 895685914 /nfs/dbraw/zinc/68/59/14/895685914.db2.gz OVRRUBSFQWJGQP-UHFFFAOYSA-N 1 0 298.394 1.423 20 10 CDCDRO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000690186621 914643794 /nfs/dbraw/zinc/64/37/94/914643794.db2.gz QSQDQGNBVGUWMS-CYBMUJFWSA-N 1 0 262.353 1.617 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC001180126326 916167532 /nfs/dbraw/zinc/16/75/32/916167532.db2.gz NZSOLPSLSZMTDS-OFVOXDDOSA-N 1 0 299.418 1.786 20 10 CDCDRO Cc1cc(CN2C[C@H]([NH3+])C[C@@H](F)C2)ccc1N(C)C ZINC001206424067 916473174 /nfs/dbraw/zinc/47/31/74/916473174.db2.gz NKCRMZZZEDTUPO-ZIAGYGMSSA-N 1 0 265.376 1.932 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1Cl ZINC001206433136 916654137 /nfs/dbraw/zinc/65/41/37/916654137.db2.gz DFDZCVWRVPLGSF-UWVGGRQHSA-N 1 0 288.750 1.925 20 10 CDCDRO COc1cc(C)c(CN(C)CC[NH+](C)C)c(O)c1 ZINC001181556473 917157427 /nfs/dbraw/zinc/15/74/27/917157427.db2.gz XLXQCJDLQCYARC-UHFFFAOYSA-N 1 0 252.358 1.703 20 10 CDCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137835270 936418675 /nfs/dbraw/zinc/41/86/75/936418675.db2.gz AZCKRXAPNOATJM-BLLLJJGKSA-N 1 0 294.370 1.684 20 10 CDCDRO Oc1cccc(F)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC001137837486 936419177 /nfs/dbraw/zinc/41/91/77/936419177.db2.gz IYPHHNLFXLVILB-LLVKDONJSA-N 1 0 250.317 1.811 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC(N2CCOCC2)C1 ZINC001237489447 917445417 /nfs/dbraw/zinc/44/54/17/917445417.db2.gz HTEZYORWOBSKNL-UHFFFAOYSA-N 1 0 262.353 1.217 20 10 CDCDRO CC(=O)NCC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000226300011 936443166 /nfs/dbraw/zinc/44/31/66/936443166.db2.gz IYTFXSGNAVTPIY-UHFFFAOYSA-N 1 0 261.369 1.617 20 10 CDCDRO C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(F)c1[O-] ZINC001138128545 936475788 /nfs/dbraw/zinc/47/57/88/936475788.db2.gz QRGZTPFYYAZEOP-UHFFFAOYSA-N 1 0 281.375 1.211 20 10 CDCDRO COc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001183991890 918820286 /nfs/dbraw/zinc/82/02/86/918820286.db2.gz OJZKQSPUYLWEIW-HZMBPMFUSA-N 1 0 251.326 1.522 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1O ZINC001203586119 919064267 /nfs/dbraw/zinc/06/42/67/919064267.db2.gz YOIRGMUNUHLQDX-WDEREUQCSA-N 1 0 255.289 1.306 20 10 CDCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCC(=O)N1 ZINC001202899011 936600322 /nfs/dbraw/zinc/60/03/22/936600322.db2.gz AZAPDVDPMDIDBR-CQSZACIVSA-N 1 0 275.396 1.853 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825417448 920548178 /nfs/dbraw/zinc/54/81/78/920548178.db2.gz MNAHZGFIIZBODB-UHFFFAOYSA-N 1 0 256.733 1.580 20 10 CDCDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(F)ccc3O)CC[N@@H+]2C1 ZINC001140053740 936674615 /nfs/dbraw/zinc/67/46/15/936674615.db2.gz BKSNMUTUHDOELP-LSDHHAIUSA-N 1 0 294.370 1.826 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001140063268 936675780 /nfs/dbraw/zinc/67/57/80/936675780.db2.gz PJXFKLXRHJZCSH-PWSUYJOCSA-N 1 0 273.254 1.997 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140624469 936732475 /nfs/dbraw/zinc/73/24/75/936732475.db2.gz XVKNGVJNUPPTPH-ZDUSSCGKSA-N 1 0 277.368 1.594 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)c1 ZINC001140623859 936732587 /nfs/dbraw/zinc/73/25/87/936732587.db2.gz VETIIJYFCZMEAI-OAHLLOKOSA-N 1 0 287.363 1.664 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCOC[C@H](C)C2)c1O ZINC001140742385 936747862 /nfs/dbraw/zinc/74/78/62/936747862.db2.gz MINWAUXJHSIUEK-SNVBAGLBSA-N 1 0 251.326 1.875 20 10 CDCDRO Cc1c(O)ccc(CN2CCO[C@H](C[NH+](C)C)C2)c1O ZINC001140744067 936748573 /nfs/dbraw/zinc/74/85/73/936748573.db2.gz KNGYOQAKULKYPQ-CYBMUJFWSA-N 1 0 280.368 1.169 20 10 CDCDRO CC[N@H+](CCN(C)C)Cc1ccc(O)c(C)c1O ZINC001140742534 936748697 /nfs/dbraw/zinc/74/86/97/936748697.db2.gz RCKWOQFEFBSNAH-UHFFFAOYSA-N 1 0 252.358 1.790 20 10 CDCDRO CN1CCOc2cc(C[N@H+](C)CCC3OCCO3)ccc21 ZINC001141143980 936819513 /nfs/dbraw/zinc/81/95/13/936819513.db2.gz QSVIPAQOMNACOV-UHFFFAOYSA-N 1 0 292.379 1.710 20 10 CDCDRO CN1CCOc2cc(CN3CC4(C3)C[NH+](C)C4)ccc21 ZINC001141146232 936820280 /nfs/dbraw/zinc/82/02/80/936820280.db2.gz PHVQWZXZZDIPHD-UHFFFAOYSA-N 1 0 273.380 1.263 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156900 936821392 /nfs/dbraw/zinc/82/13/92/936821392.db2.gz XDCXPTPEFLEDKA-GHMZBOCLSA-N 1 0 279.336 1.871 20 10 CDCDRO O=C1CC2(CN1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141156133 936821547 /nfs/dbraw/zinc/82/15/47/936821547.db2.gz QYBOVJICRIHNDB-UHFFFAOYSA-N 1 0 276.336 1.200 20 10 CDCDRO C[C@@H]1CN(Cc2cc(O)ccc2O)C[C@H](C)[N@H+]1C ZINC001141160415 936822368 /nfs/dbraw/zinc/82/23/68/936822368.db2.gz XUDNMZOLAFGMRA-PHIMTYICSA-N 1 0 250.342 1.622 20 10 CDCDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)O1 ZINC001141162287 936823193 /nfs/dbraw/zinc/82/31/93/936823193.db2.gz NXRIXDDXGGPBBK-HNNXBMFYSA-N 1 0 277.320 1.769 20 10 CDCDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N)cc2)[C@@H](C)C1 ZINC001120269341 925703546 /nfs/dbraw/zinc/70/35/46/925703546.db2.gz QEERJKOBGSJKPD-STQMWFEESA-N 1 0 263.385 1.156 20 10 CDCDRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001169586195 928238937 /nfs/dbraw/zinc/23/89/37/928238937.db2.gz URNSBQVXNXDUJE-LBPRGKRZSA-N 1 0 264.325 1.198 20 10 CDCDRO [NH3+]CCN(C(=O)c1cccc2c1CC(=O)N2)c1cccnc1 ZINC001153336454 937440785 /nfs/dbraw/zinc/44/07/85/937440785.db2.gz XVSMVCLOZQXMLD-UHFFFAOYSA-N 1 0 296.330 1.182 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001253479724 930803449 /nfs/dbraw/zinc/80/34/49/930803449.db2.gz QRICOUDDXMAHDX-NSHDSACASA-N 1 0 269.341 1.363 20 10 CDCDRO COCC[NH2+]Cc1ccc(Br)cc1O ZINC000691394309 931463237 /nfs/dbraw/zinc/46/32/37/931463237.db2.gz CGLXXYXLJWRRSI-UHFFFAOYSA-N 1 0 260.131 1.891 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c(O)c1 ZINC001144509170 931874753 /nfs/dbraw/zinc/87/47/53/931874753.db2.gz NMDLBIXWVXLXGR-GFCCVEGCSA-N 1 0 292.379 1.864 20 10 CDCDRO C[C@H]1C[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)CC[C@H]2O1 ZINC001144510186 931876158 /nfs/dbraw/zinc/87/61/58/931876158.db2.gz SQHWWHYROOAJDJ-AMJWSMQMSA-N 1 0 279.336 1.803 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2c(O)cccc2F)CC(F)(F)C1 ZINC001206125364 932194451 /nfs/dbraw/zinc/19/44/51/932194451.db2.gz XTZVDMXFBNYYKZ-QMMMGPOBSA-N 1 0 260.259 1.700 20 10 CDCDRO COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c(O)cc1O ZINC001276091689 932518201 /nfs/dbraw/zinc/51/82/01/932518201.db2.gz XEZGQDDJJXJPLL-CMPLNLGQSA-N 1 0 278.352 1.242 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@H](C)C1 ZINC001148225065 932673267 /nfs/dbraw/zinc/67/32/67/932673267.db2.gz CUYGALHDZJLCNT-YPMHNXCESA-N 1 0 292.379 1.946 20 10 CDCDRO CCN(C)c1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC001118891984 937675586 /nfs/dbraw/zinc/67/55/86/937675586.db2.gz GYVDNVTYZNANHY-GJZGRUSLSA-N 1 0 278.396 1.175 20 10 CDCDRO COCCNC(=O)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120262754 937790133 /nfs/dbraw/zinc/79/01/33/937790133.db2.gz CMLUMEIHDSSRQJ-UHFFFAOYSA-N 1 0 291.395 1.243 20 10 CDCDRO CC(=O)N1CC[N@H+](Cc2ccc(N)cc2)C(C)(C)C1 ZINC001120371510 937796233 /nfs/dbraw/zinc/79/62/33/937796233.db2.gz ZQMKUQALCPTICU-UHFFFAOYSA-N 1 0 261.369 1.712 20 10 CDCDRO C[C@H](CC1CC1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258448620 934876975 /nfs/dbraw/zinc/87/69/75/934876975.db2.gz XBILMXRFYJDVDV-OTYXRUKQSA-N 1 0 251.326 1.909 20 10 CDCDRO CC(C)(C)[C@@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001253745918 936008431 /nfs/dbraw/zinc/00/84/31/936008431.db2.gz OVSSKRWMVWTFDG-ZDUSSCGKSA-N 1 0 267.325 1.277 20 10 CDCDRO CC1CC[NH+](CC(=O)NCc2cccc(O)c2O)CC1 ZINC001123890168 936240315 /nfs/dbraw/zinc/24/03/15/936240315.db2.gz VCUJHNQWZDTCGU-UHFFFAOYSA-N 1 0 278.352 1.446 20 10 CDCDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC001122264620 937916580 /nfs/dbraw/zinc/91/65/80/937916580.db2.gz TWLHJYZSFZWDSX-SDDRHHMPSA-N 1 0 261.369 1.409 20 10 CDCDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(N)cc1 ZINC001122445432 937932566 /nfs/dbraw/zinc/93/25/66/937932566.db2.gz RWFIWICJWJJCSG-CYBMUJFWSA-N 1 0 263.385 1.909 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001278254725 945214301 /nfs/dbraw/zinc/21/43/01/945214301.db2.gz FMWBKHVKESZQDS-IAQYHMDHSA-N 1 0 278.327 1.441 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c1O ZINC001203585599 939694415 /nfs/dbraw/zinc/69/44/15/939694415.db2.gz QFTPENQYEIWYBN-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c1O ZINC001203597096 939695376 /nfs/dbraw/zinc/69/53/76/939695376.db2.gz UUNOMZRSEPXUAV-ZYHUDNBSSA-N 1 0 251.326 1.746 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(CO)C2)c1O ZINC001203602187 939695647 /nfs/dbraw/zinc/69/56/47/939695647.db2.gz GZWNNUXNCGRWRP-HNNXBMFYSA-N 1 0 265.353 1.995 20 10 CDCDRO CC(C)(C)[N@@H+](Cc1ccc(O)c(O)c1)C[C@@H](O)CO ZINC001203875907 939710222 /nfs/dbraw/zinc/71/02/22/939710222.db2.gz YLQYKYNECNJCRZ-LLVKDONJSA-N 1 0 269.341 1.052 20 10 CDCDRO Oc1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cc1O ZINC001203875685 939710332 /nfs/dbraw/zinc/71/03/32/939710332.db2.gz SOELOFVJHQMKBQ-GFCCVEGCSA-N 1 0 279.336 1.214 20 10 CDCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001203880902 939711320 /nfs/dbraw/zinc/71/13/20/939711320.db2.gz CGBDILWITRDLIU-CHWSQXEVSA-N 1 0 262.353 1.624 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883229 939711458 /nfs/dbraw/zinc/71/14/58/939711458.db2.gz GLEMCEVGHVCHIX-AWEZNQCLSA-N 1 0 265.309 1.483 20 10 CDCDRO O=C1NCCCC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203882405 939711673 /nfs/dbraw/zinc/71/16/73/939711673.db2.gz IJCVGHYYQIEUNT-UHFFFAOYSA-N 1 0 290.363 1.590 20 10 CDCDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)cc(O)c1O ZINC001204341419 939756959 /nfs/dbraw/zinc/75/69/59/939756959.db2.gz CAIHZSUATATHCQ-LBPRGKRZSA-N 1 0 280.368 1.632 20 10 CDCDRO COc1cc(CN2CCCC3(C2)OCCO3)cc(O)c1O ZINC001204346429 939759358 /nfs/dbraw/zinc/75/93/58/939759358.db2.gz PEGLBXMBYHIVIG-UHFFFAOYSA-N 1 0 295.335 1.445 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(OC)c1 ZINC001205872490 939948662 /nfs/dbraw/zinc/94/86/62/939948662.db2.gz MZHWNDTUFGFDEU-MFKMUULPSA-N 1 0 280.368 1.579 20 10 CDCDRO C[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@H]1[NH3+] ZINC001206070792 939974447 /nfs/dbraw/zinc/97/44/47/939974447.db2.gz RWNKAJPLTYOJFX-GMSGAONNSA-N 1 0 256.733 1.530 20 10 CDCDRO [NH3+][C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC[C@@H]1F ZINC001206197983 939996289 /nfs/dbraw/zinc/99/62/89/939996289.db2.gz KPSHHVIZFFWHEM-ONGXEEELSA-N 1 0 274.286 1.932 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1O ZINC001206230171 940002188 /nfs/dbraw/zinc/00/21/88/940002188.db2.gz ZQPGSYVEJGUHPH-GFCCVEGCSA-N 1 0 290.285 1.872 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206704446 940080487 /nfs/dbraw/zinc/08/04/87/940080487.db2.gz SXHZRNSWXJOCMX-GFCCVEGCSA-N 1 0 256.296 1.869 20 10 CDCDRO C[C@@H](Cc1cccnc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258609739 945358559 /nfs/dbraw/zinc/35/85/59/945358559.db2.gz UAOICXHPLKBZPD-MEDUHNTESA-N 1 0 288.347 1.747 20 10 CDCDRO CCCC(C[NH3+])(CCC)NC(=O)c1cc(O)c(O)c(O)c1 ZINC001221375277 941525141 /nfs/dbraw/zinc/52/51/41/941525141.db2.gz PLMIWLVWCIRMCE-UHFFFAOYSA-N 1 0 296.367 1.831 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)cc1 ZINC001221414629 941533130 /nfs/dbraw/zinc/53/31/30/941533130.db2.gz RBEORLRUFFKNGA-INIZCTEOSA-N 1 0 273.380 1.316 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCNC[C@]2(CCCCN2)C1 ZINC001222690957 941626978 /nfs/dbraw/zinc/62/69/78/941626978.db2.gz BLFMEWDWBIISBT-QGZVFWFLSA-N 1 0 289.423 1.618 20 10 CDCDRO COc1ccc(N2CC3(C2)C[NH+](CCn2ccnc2)C3)cc1 ZINC001276927992 941703864 /nfs/dbraw/zinc/70/38/64/941703864.db2.gz XARNFNRFYBKYCT-UHFFFAOYSA-N 1 0 298.390 1.714 20 10 CDCDRO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1ccc(O)cc1O)C2 ZINC001277191751 942154302 /nfs/dbraw/zinc/15/43/02/942154302.db2.gz GQQMSHPVHRDKBZ-GFCCVEGCSA-N 1 0 276.336 1.008 20 10 CDCDRO O=C(NCC(F)F)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001277442636 942580749 /nfs/dbraw/zinc/58/07/49/942580749.db2.gz YHUUHXVHORDEDI-UHFFFAOYSA-N 1 0 296.317 1.786 20 10 CDCDRO CC[NH+]1C[C@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3O)C[C@@H]2C1 ZINC001231569358 942933081 /nfs/dbraw/zinc/93/30/81/942933081.db2.gz WUAPSJKWLFFTCX-KBPBESRZSA-N 1 0 290.363 1.474 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1O ZINC001231593872 942939292 /nfs/dbraw/zinc/93/92/92/942939292.db2.gz MYBUWPMGOCXSRE-UHFFFAOYSA-N 1 0 287.319 1.460 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231636438 942952026 /nfs/dbraw/zinc/95/20/26/942952026.db2.gz VRWIZHQDRSDVLK-SNVBAGLBSA-N 1 0 295.335 1.491 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CCN(CCCO)CC2)c(O)c1 ZINC001231841406 943023555 /nfs/dbraw/zinc/02/35/55/943023555.db2.gz ASSSYFBXRXEVRE-UHFFFAOYSA-N 1 0 278.396 1.509 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)CCN1C ZINC001231846120 943027273 /nfs/dbraw/zinc/02/72/73/943027273.db2.gz BCUAYUCSVFSGIT-AWEZNQCLSA-N 1 0 292.379 1.298 20 10 CDCDRO NC(=O)C1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001231880386 943038714 /nfs/dbraw/zinc/03/87/14/943038714.db2.gz FBBAGPYLEVQAAX-UHFFFAOYSA-N 1 0 256.305 1.463 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@H]1O ZINC001232260493 943192845 /nfs/dbraw/zinc/19/28/45/943192845.db2.gz QWFQUNXPFMTRRJ-LDYMZIIASA-N 1 0 271.744 1.954 20 10 CDCDRO Cn1cnc2c1CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001233335664 943548876 /nfs/dbraw/zinc/54/88/76/943548876.db2.gz GAOHWMROLZJPTB-UHFFFAOYSA-N 1 0 279.290 1.962 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC[C@@]1(C)O ZINC001233482843 943591538 /nfs/dbraw/zinc/59/15/38/943591538.db2.gz DOUOZZABQXUGGF-MEBBXXQBSA-N 1 0 281.352 1.786 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1O ZINC001233483176 943591890 /nfs/dbraw/zinc/59/18/90/943591890.db2.gz PWXNJTXPZBDARX-PELKAZGASA-N 1 0 287.262 1.269 20 10 CDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483260 943592346 /nfs/dbraw/zinc/59/23/46/943592346.db2.gz SLEKVVNIDNLUIL-WPRPVWTQSA-N 1 0 253.298 1.006 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CC3(C2)CCOCC3)cc1O ZINC001233485083 943592570 /nfs/dbraw/zinc/59/25/70/943592570.db2.gz IFQOAXBWCGDKOC-UHFFFAOYSA-N 1 0 265.309 1.416 20 10 CDCDRO COc1ccc(CNC(=O)C[C@H]([NH3+])C(C)(C)C)c(O)c1 ZINC001263126294 943755009 /nfs/dbraw/zinc/75/50/09/943755009.db2.gz HSRRQFCYMSWDIK-ZDUSSCGKSA-N 1 0 280.368 1.781 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]C[C@H]2CO)cc1 ZINC001235444707 944157768 /nfs/dbraw/zinc/15/77/68/944157768.db2.gz QXARRXYYSSKNIH-SFHVURJKSA-N 1 0 299.418 1.860 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H]2C[NH+](C)C)cc1OC ZINC001236756104 944559789 /nfs/dbraw/zinc/55/97/89/944559789.db2.gz IHWXLRBLKYFAAY-ZDUSSCGKSA-N 1 0 294.395 1.935 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001236784302 944565792 /nfs/dbraw/zinc/56/57/92/944565792.db2.gz UKOLYWOHSRWYPY-GXTWGEPZSA-N 1 0 253.317 1.859 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(O)c1 ZINC001237043861 944643610 /nfs/dbraw/zinc/64/36/10/944643610.db2.gz JVKYNYIGLZQCLB-YPMHNXCESA-N 1 0 265.353 1.994 20 10 CDCDRO CCOc1ccc(C[NH+]2CC3(CN(C)C3)C2)c(O)c1 ZINC001237047268 944646066 /nfs/dbraw/zinc/64/60/66/944646066.db2.gz KUFRLTAIWXANPA-UHFFFAOYSA-N 1 0 262.353 1.538 20 10 CDCDRO [NH3+]CCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237206872 944694032 /nfs/dbraw/zinc/69/40/32/944694032.db2.gz ZUDNOFUZUIPBRG-UHFFFAOYSA-N 1 0 289.301 1.666 20 10 CDCDRO COc1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)cc1O ZINC001237405943 944758444 /nfs/dbraw/zinc/75/84/44/944758444.db2.gz SKUOFWQAYUACFE-YPMHNXCESA-N 1 0 292.379 1.680 20 10 CDCDRO COc1cc(C[N@H+](C)[C@H]2CCOC2)c(O)c(OC)c1 ZINC001237675221 944919865 /nfs/dbraw/zinc/91/98/65/944919865.db2.gz CBIWWPCSRQCIMW-NSHDSACASA-N 1 0 267.325 1.630 20 10 CDCDRO COc1cc(CN2CCC[C@H]2C[NH+](C)C)c(O)c(OC)c1 ZINC001237675861 944921383 /nfs/dbraw/zinc/92/13/83/944921383.db2.gz HURIJWBNGCUHJZ-ZDUSSCGKSA-N 1 0 294.395 1.935 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238060297 945044463 /nfs/dbraw/zinc/04/44/63/945044463.db2.gz HGKYRQLOJPEVRB-JTQLQIEISA-N 1 0 267.300 1.835 20 10 CDCDRO COC(C[N@H+](C)Cc1cc(F)cc(C)c1O)OC ZINC001238071154 945050144 /nfs/dbraw/zinc/05/01/44/945050144.db2.gz UMRFBNBFHCZQGN-UHFFFAOYSA-N 1 0 257.305 1.890 20 10 CDCDRO O=S1(=O)CCN(c2ccc(C3=CCC[NH2+]C3)cc2)CC1 ZINC001240668784 945980556 /nfs/dbraw/zinc/98/05/56/945980556.db2.gz BHTNKBKVRXMDRE-UHFFFAOYSA-N 1 0 292.404 1.298 20 10 CDCDRO CSCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258199247 948731277 /nfs/dbraw/zinc/73/12/77/948731277.db2.gz WSWFPJRGOLCWTL-NOZJJQNGSA-N 1 0 271.382 1.862 20 10 CDCDRO CCCC[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001252113471 951147983 /nfs/dbraw/zinc/14/79/83/951147983.db2.gz ZMVOZBNFHMXAED-GFCCVEGCSA-N 1 0 253.342 1.781 20 10 CDCDRO CCCCOC[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252516972 951400476 /nfs/dbraw/zinc/40/04/76/951400476.db2.gz WJVNOZAIBYHPQW-AWEZNQCLSA-N 1 0 279.380 1.928 20 10 CDCDRO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC001327387256 954856137 /nfs/dbraw/zinc/85/61/37/954856137.db2.gz QAHLQILBFFAFBM-AWEZNQCLSA-N 1 0 292.402 1.029 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308369079 956523571 /nfs/dbraw/zinc/52/35/71/956523571.db2.gz GZFLEISUYVQNNW-MLCYQJTMSA-N 1 0 272.389 1.748 20 10 CDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308369082 956524180 /nfs/dbraw/zinc/52/41/80/956524180.db2.gz GZFLEISUYVQNNW-YPMLDQLKSA-N 1 0 272.389 1.748 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](CF)C1)[C@H](O)CO2 ZINC001331021325 956768063 /nfs/dbraw/zinc/76/80/63/956768063.db2.gz JOUYLQPDQUXARO-QMTHXVAHSA-N 1 0 281.327 2.000 20 10 CDCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N)cc2)C1 ZINC001334774460 959349372 /nfs/dbraw/zinc/34/93/72/959349372.db2.gz ILBJJZCUUUYWQJ-GOEBONIOSA-N 1 0 294.395 1.115 20 10 CDCDRO Nc1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001335286140 959682436 /nfs/dbraw/zinc/68/24/36/959682436.db2.gz UCHWBJOIAQOQIM-UHFFFAOYSA-N 1 0 288.439 1.482 20 10 CDCDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccc(N)cc1 ZINC001337017723 960853483 /nfs/dbraw/zinc/85/34/83/960853483.db2.gz DDUDDDBYEBJSDQ-CQSZACIVSA-N 1 0 290.411 1.752 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CC[N@@H+]1C ZINC001338731339 961966679 /nfs/dbraw/zinc/96/66/79/961966679.db2.gz GTVDRNTVJDWDAL-SMDDNHRTSA-N 1 0 276.384 1.551 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001338793756 961998105 /nfs/dbraw/zinc/99/81/05/961998105.db2.gz UVOUVBWIVOCEDP-CMPLNLGQSA-N 1 0 262.357 1.148 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC001341266268 963343141 /nfs/dbraw/zinc/34/31/41/963343141.db2.gz UHQAMVQLRZRSMV-ZDUSSCGKSA-N 1 0 277.368 1.676 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(N)cc1 ZINC001346739996 965235520 /nfs/dbraw/zinc/23/55/20/965235520.db2.gz WROSMNDOYUOTGR-ZDUSSCGKSA-N 1 0 262.357 1.162 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CC[C@@H](C)O)CC2)cc1 ZINC001347097968 965370725 /nfs/dbraw/zinc/37/07/25/965370725.db2.gz NEVDPICRIMEVJN-CQSZACIVSA-N 1 0 278.396 1.978 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC001353443397 967984859 /nfs/dbraw/zinc/98/48/59/967984859.db2.gz UNEYDONZHDBPGK-ZDUSSCGKSA-N 1 0 274.368 1.210 20 10 CDCDRO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001356083691 969330480 /nfs/dbraw/zinc/33/04/80/969330480.db2.gz XYKFWAWHJRKRRG-SNVBAGLBSA-N 1 0 256.371 1.182 20 10 CDCDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCc1c(O)cccc1F ZINC001522792569 970559341 /nfs/dbraw/zinc/55/93/41/970559341.db2.gz YLDHQNGEEDHXRB-GFCCVEGCSA-N 1 0 268.332 1.911 20 10 CDCDRO CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595222222 980057870 /nfs/dbraw/zinc/05/78/70/980057870.db2.gz CCOLTUJUHJCXTR-PSASIEDQSA-N 1 0 252.314 1.478 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC001574136369 1170894068 /nfs/dbraw/zinc/89/40/68/1170894068.db2.gz DBVLSBNYARGGEN-XJKSGUPXSA-N 1 0 289.423 1.860 20 10 CDCDRO CC(C)([NH3+])CCNC(=O)NCc1cc(Cl)ccc1O ZINC001575354081 1171158428 /nfs/dbraw/zinc/15/84/28/1171158428.db2.gz NFDYKCDQHNUZJN-UHFFFAOYSA-N 1 0 285.775 1.972 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CO)C(C)(C)C)c1O ZINC000205816219 342508665 /nfs/dbraw/zinc/50/86/65/342508665.db2.gz GJVNZJGUCKRCAL-LBPRGKRZSA-N 1 0 253.342 1.897 20 10 CDCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cccc(O)c31)CC2 ZINC000297773037 282119017 /nfs/dbraw/zinc/11/90/17/282119017.db2.gz PFNUWXVWUBWUCQ-STQMWFEESA-N 1 0 284.363 1.884 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1O ZINC000036794787 356884183 /nfs/dbraw/zinc/88/41/83/356884183.db2.gz SYKQWUHCGZPJKY-PWSUYJOCSA-N 1 0 250.342 1.958 20 10 CDCDRO CC(=O)NC[C@@H]1CN(Cc2cc(C)ccc2O)CCO1 ZINC000179716576 357221624 /nfs/dbraw/zinc/22/16/24/357221624.db2.gz HWFRGMIJUMTOPE-CQSZACIVSA-N 1 0 278.352 1.038 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CCN2CCOCC2)c1 ZINC000180023535 357236844 /nfs/dbraw/zinc/23/68/44/357236844.db2.gz FUFKJJMLDIZPLS-UHFFFAOYSA-N 1 0 280.368 1.165 20 10 CDCDRO CCN(Cc1cc(F)ccc1O)[C@@H](C)CS(C)(=O)=O ZINC000180153681 357247126 /nfs/dbraw/zinc/24/71/26/357247126.db2.gz YJSAEDKMYUQPSL-JTQLQIEISA-N 1 0 289.372 1.786 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180219488 357252183 /nfs/dbraw/zinc/25/21/83/357252183.db2.gz MHZMQPBLDSWFMU-NSHDSACASA-N 1 0 278.352 1.359 20 10 CDCDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000191958431 358164545 /nfs/dbraw/zinc/16/45/45/358164545.db2.gz DCGHWNDLZBSEBC-HNNXBMFYSA-N 1 0 279.336 1.858 20 10 CDCDRO Cc1cc(CN2CC[NH+](C[C@H](C)O)CC2)ccc1N(C)C ZINC000294726472 199154028 /nfs/dbraw/zinc/15/40/28/199154028.db2.gz VZOXWFSJOAEDGV-HNNXBMFYSA-N 1 0 291.439 1.559 20 10 CDCDRO COc1cccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c1O ZINC000092538651 358552817 /nfs/dbraw/zinc/55/28/17/358552817.db2.gz QLABUQLGSSPOLI-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO CCOC(=O)CN(Cc1cccc(OC)c1O)C1CC1 ZINC000091773126 358526337 /nfs/dbraw/zinc/52/63/37/358526337.db2.gz DEPPYVBIQGWXQP-UHFFFAOYSA-N 1 0 279.336 1.928 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000113334970 359394308 /nfs/dbraw/zinc/39/43/08/359394308.db2.gz XSURNJSNVUGLEG-UHFFFAOYSA-N 1 0 257.355 1.225 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000563214561 360744257 /nfs/dbraw/zinc/74/42/57/360744257.db2.gz XZAVWATZENZDNL-LBPRGKRZSA-N 1 0 275.352 1.230 20 10 CDCDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(N2CCOCC2)cc1 ZINC000268927949 364114744 /nfs/dbraw/zinc/11/47/44/364114744.db2.gz YMVGKXZCCCIQHO-UONOGXRCSA-N 1 0 278.396 1.945 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000271105172 364925016 /nfs/dbraw/zinc/92/50/16/364925016.db2.gz REUSEKUPOFKBEC-NSHDSACASA-N 1 0 281.352 1.878 20 10 CDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179934341 365002959 /nfs/dbraw/zinc/00/29/59/365002959.db2.gz AELLXESHPYTOTE-GFCCVEGCSA-N 1 0 266.316 1.632 20 10 CDCDRO COc1cc(O)c(CN2CCC[N@H+](C)CC2)cc1OC ZINC000271856665 365002989 /nfs/dbraw/zinc/00/29/89/365002989.db2.gz XNXIGENUSCJSCY-UHFFFAOYSA-N 1 0 280.368 1.547 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000272559710 365294241 /nfs/dbraw/zinc/29/42/41/365294241.db2.gz SXBRBXPLXZECGC-QWRGUYRKSA-N 1 0 251.326 1.604 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(F)ccc1O ZINC000273467815 365499564 /nfs/dbraw/zinc/49/95/64/365499564.db2.gz JEQJOVQUUZZACC-BONVTDFDSA-N 1 0 283.343 1.969 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000281598990 367661746 /nfs/dbraw/zinc/66/17/46/367661746.db2.gz MANQKYPXSJEWQQ-GXSJLCMTSA-N 1 0 257.305 1.579 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1C ZINC000281783066 367687196 /nfs/dbraw/zinc/68/71/96/367687196.db2.gz FADOYFDSTUIZMJ-ZDUSSCGKSA-N 1 0 283.393 1.628 20 10 CDCDRO Cc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000282445687 367889968 /nfs/dbraw/zinc/88/99/68/367889968.db2.gz USUKFIKFEJOAPM-UHFFFAOYSA-N 1 0 291.439 1.816 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000120950045 374616260 /nfs/dbraw/zinc/61/62/60/374616260.db2.gz YACPHBAIQHBLPW-KRWDZBQOSA-N 1 0 289.423 1.659 20 10 CDCDRO COc1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1C ZINC000044862444 390660451 /nfs/dbraw/zinc/66/04/51/390660451.db2.gz IAKPBODMYULLHM-UHFFFAOYSA-N 1 0 286.397 1.033 20 10 CDCDRO CCOc1cccc(C[NH2+]C2(CO)CCC2)c1O ZINC000133138506 390935001 /nfs/dbraw/zinc/93/50/01/390935001.db2.gz QCIDJUBKEDXICC-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(O)c1O ZINC000177673558 391174001 /nfs/dbraw/zinc/17/40/01/391174001.db2.gz FZIGQDDAFATRLJ-LLVKDONJSA-N 1 0 292.379 1.868 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000124718548 391224109 /nfs/dbraw/zinc/22/41/09/391224109.db2.gz BAWJKZCPZYQMDU-GFCCVEGCSA-N 1 0 262.353 1.801 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(O)c1O ZINC000179444350 391205559 /nfs/dbraw/zinc/20/55/59/391205559.db2.gz ZEUPIUKAVOUIQQ-LLVKDONJSA-N 1 0 290.363 1.620 20 10 CDCDRO Oc1ccccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179583205 391212855 /nfs/dbraw/zinc/21/28/55/391212855.db2.gz FABWQCLSFJWXRT-CQSZACIVSA-N 1 0 276.380 1.546 20 10 CDCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000183516275 391266171 /nfs/dbraw/zinc/26/61/71/391266171.db2.gz ABVFVJWWPODVMB-RISCZKNCSA-N 1 0 253.342 1.830 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1OC ZINC000195008108 391373796 /nfs/dbraw/zinc/37/37/96/391373796.db2.gz FLIXLCBREGRFPI-LKFCYVNXSA-N 1 0 294.351 1.024 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000361049749 391678945 /nfs/dbraw/zinc/67/89/45/391678945.db2.gz DNSXRQXSIVLANF-HOCLYGCPSA-N 1 0 294.370 1.562 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCCOC2)c1O ZINC000038044057 174051741 /nfs/dbraw/zinc/05/17/41/174051741.db2.gz HEVXQJRPADQNJI-LLVKDONJSA-N 1 0 251.326 1.917 20 10 CDCDRO CCn1cc(C[NH2+]Cc2cccc(OC)c2O)cn1 ZINC000020352701 262245436 /nfs/dbraw/zinc/24/54/36/262245436.db2.gz OTANWAQOLVDZKO-UHFFFAOYSA-N 1 0 261.325 1.907 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[NH2+]C1 ZINC000237151124 276885405 /nfs/dbraw/zinc/88/54/05/276885405.db2.gz SSVXBZSXZAYLEH-LLVKDONJSA-N 1 0 275.352 1.088 20 10 CDCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)OCCO ZINC000297480658 278622885 /nfs/dbraw/zinc/62/28/85/278622885.db2.gz ZGVRLKRGFGAPET-LBPRGKRZSA-N 1 0 265.353 1.757 20 10 CDCDRO CCC[C@@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000236910108 278866443 /nfs/dbraw/zinc/86/64/43/278866443.db2.gz ARULXXNSZWQLKP-GFCCVEGCSA-N 1 0 277.368 1.605 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1O ZINC000158028765 281216959 /nfs/dbraw/zinc/21/69/59/281216959.db2.gz BSJOSJSVJMNEJU-OAHLLOKOSA-N 1 0 276.380 1.607 20 10 CDCDRO COc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000377825583 329030562 /nfs/dbraw/zinc/03/05/62/329030562.db2.gz CXPJZMQEOBZBJP-SNVBAGLBSA-N 1 0 264.325 1.111 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1 ZINC000185002576 329264492 /nfs/dbraw/zinc/26/44/92/329264492.db2.gz FWRIRLDZRFLZDE-LBPRGKRZSA-N 1 0 292.379 1.633 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(F)ccc1O ZINC000228059102 333293790 /nfs/dbraw/zinc/29/37/90/333293790.db2.gz JCHNBXYDTOJYLR-IMSIIYSGSA-N 1 0 269.316 1.722 20 10 CDCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000126238385 520339467 /nfs/dbraw/zinc/33/94/67/520339467.db2.gz RZYONYXTKHOCOQ-UHFFFAOYSA-N 1 0 293.386 1.992 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[NH2+]C1 ZINC000236732804 521689301 /nfs/dbraw/zinc/68/93/01/521689301.db2.gz YABHITFBHPCIMW-GFCCVEGCSA-N 1 0 262.353 1.740 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H]1CCCO1 ZINC000279377752 522748742 /nfs/dbraw/zinc/74/87/42/522748742.db2.gz IOVXOPOKPMTJDT-ZFWWWQNUSA-N 1 0 281.352 1.684 20 10 CDCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000036999063 524601878 /nfs/dbraw/zinc/60/18/78/524601878.db2.gz MMYPBESJYUENAF-ZDUSSCGKSA-N 1 0 275.396 1.802 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@](F)(CO)C2)c1O ZINC000289915161 525940029 /nfs/dbraw/zinc/94/00/29/525940029.db2.gz VIUPPOQYGYAAJX-AWEZNQCLSA-N 1 0 269.316 1.697 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280310937 525958485 /nfs/dbraw/zinc/95/84/85/525958485.db2.gz PRHCBDQMZGVPFE-BLLLJJGKSA-N 1 0 293.363 1.781 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](OC)C2CC2)c1O ZINC000292946503 526020229 /nfs/dbraw/zinc/02/02/29/526020229.db2.gz IIGVDYMIDDBWAC-CYBMUJFWSA-N 1 0 251.326 1.915 20 10 CDCDRO O=C(NCc1ccccc1O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000299465135 526753407 /nfs/dbraw/zinc/75/34/07/526753407.db2.gz AYXBVOVEWWOQRK-LBPRGKRZSA-N 1 0 289.379 1.676 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCCn1cncn1 ZINC000725844905 574443690 /nfs/dbraw/zinc/44/36/90/574443690.db2.gz AUCPSTFCOLCIPN-UHFFFAOYSA-N 1 0 262.313 1.172 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000840889637 679850576 /nfs/dbraw/zinc/85/05/76/679850576.db2.gz SYXUVNDZHJBOPG-LBPRGKRZSA-N 1 0 283.393 1.794 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1c(O)cccc1OC ZINC000769505794 575353892 /nfs/dbraw/zinc/35/38/92/575353892.db2.gz NVQBYOQYNYCKSR-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1 ZINC000773811892 575839320 /nfs/dbraw/zinc/83/93/20/575839320.db2.gz DJHWXAGGUBDSDY-CYBMUJFWSA-N 1 0 275.396 1.853 20 10 CDCDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000768410032 576281097 /nfs/dbraw/zinc/28/10/97/576281097.db2.gz RBZYOBAPBSQCTB-ZDUSSCGKSA-N 1 0 280.343 1.229 20 10 CDCDRO CCCCN(CC(N)=O)Cc1c(O)cccc1OC ZINC000768867157 576314990 /nfs/dbraw/zinc/31/49/90/576314990.db2.gz FCFZOEFKKACWJQ-UHFFFAOYSA-N 1 0 266.341 1.488 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CCn1cccn1 ZINC000769403430 576352338 /nfs/dbraw/zinc/35/23/38/576352338.db2.gz HWXUASZGKUYXFV-UHFFFAOYSA-N 1 0 261.325 1.729 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000761205457 576559168 /nfs/dbraw/zinc/55/91/68/576559168.db2.gz DUBRPZHXGJALDH-LLVKDONJSA-N 1 0 271.744 1.915 20 10 CDCDRO COc1cccc(C[N@H+](C)CC2(O)CCC2)c1O ZINC000761220773 576560884 /nfs/dbraw/zinc/56/08/84/576560884.db2.gz XOPKGDXHQJVKEO-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1C ZINC000745789838 576742386 /nfs/dbraw/zinc/74/23/86/576742386.db2.gz QOLUOUHVCGKPDW-DGCLKSJQSA-N 1 0 277.368 1.674 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2(C3CC3)CC2)cc1 ZINC000754358360 576893038 /nfs/dbraw/zinc/89/30/38/576893038.db2.gz KIMUYLRSULRGAZ-UHFFFAOYSA-N 1 0 287.407 1.901 20 10 CDCDRO OC[C@H](CC1CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000754835034 576917937 /nfs/dbraw/zinc/91/79/37/576917937.db2.gz RMOFYTHNFDMFIN-NSHDSACASA-N 1 0 265.309 1.372 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Cl)ccc1O ZINC000756554882 576995466 /nfs/dbraw/zinc/99/54/66/576995466.db2.gz JVKLLICYMFTDSO-KOLCDFICSA-N 1 0 272.776 1.619 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756777039 577003712 /nfs/dbraw/zinc/00/37/12/577003712.db2.gz GAPWWPMTFYPQPD-WCBMZHEXSA-N 1 0 275.295 1.718 20 10 CDCDRO CC1(C)OCC([NH2+]Cc2cc(F)ccc2O)CO1 ZINC000758012264 577067478 /nfs/dbraw/zinc/06/74/78/577067478.db2.gz ONTDHYMTEMJADN-UHFFFAOYSA-N 1 0 255.289 1.772 20 10 CDCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000753030716 577141276 /nfs/dbraw/zinc/14/12/76/577141276.db2.gz VXZYNBKZWHTKHP-VFFGBVLKSA-N 1 0 292.379 1.956 20 10 CDCDRO CC[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892478653 617407619 /nfs/dbraw/zinc/40/76/19/617407619.db2.gz NGJCXKHJJXOUDL-SNVBAGLBSA-N 1 0 255.314 1.270 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892099552 617481186 /nfs/dbraw/zinc/48/11/86/617481186.db2.gz RIGUOUVEALQZOQ-SNVBAGLBSA-N 1 0 263.341 1.415 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893320782 617567917 /nfs/dbraw/zinc/56/79/17/617567917.db2.gz QZGVCPPZCJCYBW-SECBINFHSA-N 1 0 282.340 1.024 20 10 CDCDRO C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccccc1O ZINC000892279296 617680599 /nfs/dbraw/zinc/68/05/99/617680599.db2.gz VKWGHVSCOXNZQZ-LLVKDONJSA-N 1 0 293.367 1.260 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000840957147 617807761 /nfs/dbraw/zinc/80/77/61/617807761.db2.gz GBRLNKPMTBGCLL-ZDUSSCGKSA-N 1 0 262.353 1.611 20 10 CDCDRO C[C@H](NC(=O)NCC[NH2+]C1CC1)c1ccccc1O ZINC000891988505 617949920 /nfs/dbraw/zinc/94/99/20/617949920.db2.gz HYFHAPVMSMIYPU-JTQLQIEISA-N 1 0 263.341 1.504 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000893984983 618237596 /nfs/dbraw/zinc/23/75/96/618237596.db2.gz WFGVNGZAQCJILI-CYBMUJFWSA-N 1 0 292.379 1.810 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000894315502 618762728 /nfs/dbraw/zinc/76/27/28/618762728.db2.gz JIKLZWCVUBKCSY-ZDUSSCGKSA-N 1 0 291.351 1.266 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894359210 618819729 /nfs/dbraw/zinc/81/97/29/618819729.db2.gz OHUIGASYJSKVCN-UHFFFAOYSA-N 1 0 280.368 1.571 20 10 CDCDRO COc1cccc(C[NH2+]Cc2c3c(nn2C)CCC3)c1O ZINC000894458224 618895928 /nfs/dbraw/zinc/89/59/28/618895928.db2.gz OEWBDSKHXBANIK-UHFFFAOYSA-N 1 0 287.363 1.913 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)[C@H]1OC ZINC000894466529 618903692 /nfs/dbraw/zinc/90/36/92/618903692.db2.gz HGKDFVHUUYGRAW-XNRPHZJLSA-N 1 0 295.379 1.991 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000894643676 619002984 /nfs/dbraw/zinc/00/29/84/619002984.db2.gz RYYIWVKPUVDHCM-JSGCOSHPSA-N 1 0 295.379 1.444 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC000894857143 619103145 /nfs/dbraw/zinc/10/31/45/619103145.db2.gz AWUTUKDHQMVRCC-AWEZNQCLSA-N 1 0 294.395 1.960 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c(O)c1 ZINC000895317881 619549739 /nfs/dbraw/zinc/54/97/39/619549739.db2.gz QBHALQSAJWOMTL-CYBMUJFWSA-N 1 0 278.352 1.405 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c(O)c1OC ZINC000895458327 619675635 /nfs/dbraw/zinc/67/56/35/619675635.db2.gz XRBZUQSHFAUOLP-BZNIZROVSA-N 1 0 295.379 1.860 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000896124294 619996487 /nfs/dbraw/zinc/99/64/87/619996487.db2.gz ILFUROBPFHRMBE-SKDRFNHKSA-N 1 0 267.300 1.963 20 10 CDCDRO Cc1cccc(C[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000896911390 620302054 /nfs/dbraw/zinc/30/20/54/620302054.db2.gz DAMKKESADPEXEL-UHFFFAOYSA-N 1 0 263.337 1.943 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841754051 620960566 /nfs/dbraw/zinc/96/05/66/620960566.db2.gz YRGXKLMDVNBFBB-WPRPVWTQSA-N 1 0 259.733 1.704 20 10 CDCDRO CCOc1cccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000897684049 621072079 /nfs/dbraw/zinc/07/20/79/621072079.db2.gz JXGBVSSGDVOKPB-JQWIXIFHSA-N 1 0 251.326 1.604 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)C[C@@H]2C1 ZINC000898166558 621353692 /nfs/dbraw/zinc/35/36/92/621353692.db2.gz AAMZREWEGHXZOD-ZJUUUORDSA-N 1 0 294.326 1.261 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855896 621602329 /nfs/dbraw/zinc/60/23/29/621602329.db2.gz LQXVLZFSQCGKQQ-CYBMUJFWSA-N 1 0 291.395 1.219 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCN2C)c1O ZINC000903316048 625970327 /nfs/dbraw/zinc/97/03/27/625970327.db2.gz MFMMSGLJHRTKIM-WDEREUQCSA-N 1 0 250.342 1.756 20 10 CDCDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448814 626000229 /nfs/dbraw/zinc/00/02/29/626000229.db2.gz TWRUJYZRYXXJTK-COXVUDFISA-N 1 0 291.439 1.980 20 10 CDCDRO CCCC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000906530091 627306183 /nfs/dbraw/zinc/30/61/83/627306183.db2.gz YGRXTXCDADEYJS-UHFFFAOYSA-N 1 0 296.436 1.811 20 10 CDCDRO CCOc1ccc(O)c(CNC[C@@H]2C[NH2+]CCCO2)c1 ZINC000841085524 628222782 /nfs/dbraw/zinc/22/27/82/628222782.db2.gz GDHFAEOXYMXTIL-AWEZNQCLSA-N 1 0 280.368 1.259 20 10 CDCDRO CC(C)[C@@H](C(=O)NCc1ccc(O)cc1O)[NH+](C)C ZINC000910950147 629115004 /nfs/dbraw/zinc/11/50/04/629115004.db2.gz DCYQIMRNWRSDRX-ZDUSSCGKSA-N 1 0 266.341 1.300 20 10 CDCDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2O)C1(C)C ZINC000157717629 630609553 /nfs/dbraw/zinc/60/95/53/630609553.db2.gz LBLPPLDHCHOFCT-CJNGLKHVSA-N 1 0 292.379 1.541 20 10 CDCDRO COCC(COC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000824921396 682638761 /nfs/dbraw/zinc/63/87/61/682638761.db2.gz KZHBULBZIKEXSI-UHFFFAOYSA-N 1 0 253.342 1.760 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C[NH3+] ZINC000054341029 684126398 /nfs/dbraw/zinc/12/63/98/684126398.db2.gz NYMDBURINMFVDR-GFCCVEGCSA-N 1 0 263.385 1.696 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617131 679738572 /nfs/dbraw/zinc/73/85/72/679738572.db2.gz KTXIUPQKZAYRGY-RKDXNWHRSA-N 1 0 254.305 1.707 20 10 CDCDRO O=C1C[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)CN1 ZINC000398337584 679743498 /nfs/dbraw/zinc/74/34/98/679743498.db2.gz ITCVSOBWXFRLSG-OAHLLOKOSA-N 1 0 287.407 1.903 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CNCCOC1 ZINC000925689851 679748519 /nfs/dbraw/zinc/74/85/19/679748519.db2.gz ITUVBGJBMZRQNY-GDBMZVCRSA-N 1 0 291.439 1.570 20 10 CDCDRO CCCCS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783715 679758650 /nfs/dbraw/zinc/75/86/50/679758650.db2.gz BPJYVXNJUVLOCM-CQSZACIVSA-N 1 0 299.440 1.472 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN(C)OC)c1O ZINC000850478692 679763796 /nfs/dbraw/zinc/76/37/96/679763796.db2.gz WVZVWFFYBXMELT-SNVBAGLBSA-N 1 0 254.330 1.545 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825205459 679777016 /nfs/dbraw/zinc/77/70/16/679777016.db2.gz PIDYGGCHFBATTP-UHFFFAOYSA-N 1 0 291.800 1.878 20 10 CDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000866421216 679791475 /nfs/dbraw/zinc/79/14/75/679791475.db2.gz XQWMCYULRDQGQX-FXAINCCUSA-N 1 0 271.744 1.764 20 10 CDCDRO COc1ccc(CNC(=O)C2([NH3+])CCCC2)c(O)c1 ZINC000843499586 679795773 /nfs/dbraw/zinc/79/57/73/679795773.db2.gz JJNQFVGZQBDNRM-UHFFFAOYSA-N 1 0 264.325 1.289 20 10 CDCDRO COc1ccc(CNC(=O)CC[C@H]2CCC[NH2+]C2)c(O)c1 ZINC000857005992 679798825 /nfs/dbraw/zinc/79/88/25/679798825.db2.gz HHFZNEGHWSMUPB-GFCCVEGCSA-N 1 0 292.379 1.797 20 10 CDCDRO CSC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000818984509 679800473 /nfs/dbraw/zinc/80/04/73/679800473.db2.gz AIMXQBNOBDVPOT-AWEZNQCLSA-N 1 0 280.437 1.883 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(F)ccc1O ZINC000840826347 679801822 /nfs/dbraw/zinc/80/18/22/679801822.db2.gz UMUFMVKPVPWGIM-NXEZZACHSA-N 1 0 266.316 1.708 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000792189033 679813447 /nfs/dbraw/zinc/81/34/47/679813447.db2.gz ZYRMPYNURLHIEK-GFCCVEGCSA-N 1 0 290.363 1.598 20 10 CDCDRO CCOc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC000841025066 679815591 /nfs/dbraw/zinc/81/55/91/679815591.db2.gz ZSUPRFGSXBEQRV-ZWNOBZJWSA-N 1 0 250.342 1.712 20 10 CDCDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(O)c1O ZINC000126355560 679821283 /nfs/dbraw/zinc/82/12/83/679821283.db2.gz CJQAPTMHQFCQAH-VIFPVBQESA-N 1 0 262.309 1.064 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000827500703 679850352 /nfs/dbraw/zinc/85/03/52/679850352.db2.gz IBRNUAVJZZWFDD-AOOOYVTPSA-N 1 0 265.309 1.442 20 10 CDCDRO COC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000827933716 679865157 /nfs/dbraw/zinc/86/51/57/679865157.db2.gz CVCLVYQIDJQSGP-UHFFFAOYSA-N 1 0 264.325 1.713 20 10 CDCDRO COC1CC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000827661792 679867353 /nfs/dbraw/zinc/86/73/53/679867353.db2.gz GNPPEBYBEWDNEP-UHFFFAOYSA-N 1 0 290.407 1.915 20 10 CDCDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1O ZINC000876996137 681246635 /nfs/dbraw/zinc/24/66/35/681246635.db2.gz PSABIGXHDPULCW-YPMHNXCESA-N 1 0 262.353 1.929 20 10 CDCDRO COc1ccc(CNC(=O)NCC2([NH3+])CCC2)c(O)c1 ZINC000841967300 681265149 /nfs/dbraw/zinc/26/51/49/681265149.db2.gz RPTKEWKUGDJKMQ-UHFFFAOYSA-N 1 0 279.340 1.081 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858339286 681518028 /nfs/dbraw/zinc/51/80/28/681518028.db2.gz VMBFOOREAIRYIJ-LBPRGKRZSA-N 1 0 270.760 1.202 20 10 CDCDRO COC[C@]1(CN[C@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000817974390 681528478 /nfs/dbraw/zinc/52/84/78/681528478.db2.gz LCSGZFOGZVXTQW-IUODEOHRSA-N 1 0 264.369 1.811 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000841826779 681546768 /nfs/dbraw/zinc/54/67/68/681546768.db2.gz IXEYSOFHYIMQSO-ZDUSSCGKSA-N 1 0 276.384 1.222 20 10 CDCDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1O ZINC000879648392 681604942 /nfs/dbraw/zinc/60/49/42/681604942.db2.gz MQQUTUYYKKHTGX-SNVBAGLBSA-N 1 0 276.296 1.848 20 10 CDCDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(O)c1O ZINC000790726978 681789628 /nfs/dbraw/zinc/78/96/28/681789628.db2.gz NHMZFBFWJQZDMI-NSHDSACASA-N 1 0 278.352 1.702 20 10 CDCDRO C[NH2+]CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000841846496 681850918 /nfs/dbraw/zinc/85/09/18/681850918.db2.gz JPXISIJKVWDDEQ-UHFFFAOYSA-N 1 0 290.392 1.265 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C[C@@H](O)C[NH3+])cc1F ZINC000841091862 681875600 /nfs/dbraw/zinc/87/56/00/681875600.db2.gz HULVOGRJUNDWOZ-ZDUSSCGKSA-N 1 0 283.391 1.423 20 10 CDCDRO CC[N@H+](CCNC(=O)/C=C/c1ccc(O)c(O)c1)C(C)C ZINC000779523032 681932072 /nfs/dbraw/zinc/93/20/72/681932072.db2.gz YXTVRPLDTCPFDK-SOFGYWHQSA-N 1 0 292.379 1.958 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(F)ccc1O ZINC000840826349 681980327 /nfs/dbraw/zinc/98/03/27/681980327.db2.gz UMUFMVKPVPWGIM-VHSXEESVSA-N 1 0 266.316 1.708 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886229901 681981677 /nfs/dbraw/zinc/98/16/77/681981677.db2.gz XNRJZFOBIMKMAK-NEPJUHHUSA-N 1 0 281.352 1.420 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000858600563 682035595 /nfs/dbraw/zinc/03/55/95/682035595.db2.gz XHYMRHQKIMRXLS-PBHICJAKSA-N 1 0 291.439 1.860 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCCn1cncn1)CC2 ZINC000381701045 682081088 /nfs/dbraw/zinc/08/10/88/682081088.db2.gz OUSQLOQSEGBIHB-LBPRGKRZSA-N 1 0 258.325 1.651 20 10 CDCDRO O=C(NCc1ccccc1O)c1ccc2c[nH+]cn2c1 ZINC000786389503 682087254 /nfs/dbraw/zinc/08/72/54/682087254.db2.gz AQKIQNIXKLPUND-UHFFFAOYSA-N 1 0 267.288 1.970 20 10 CDCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942448 682229716 /nfs/dbraw/zinc/22/97/16/682229716.db2.gz OXKQUZFLSZGXHP-BLLLJJGKSA-N 1 0 287.411 1.837 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825600741 682264823 /nfs/dbraw/zinc/26/48/23/682264823.db2.gz QUQJZQJFBULBIV-JTQLQIEISA-N 1 0 296.342 1.697 20 10 CDCDRO c1n[nH]cc1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000379592103 682283667 /nfs/dbraw/zinc/28/36/67/682283667.db2.gz ZOSPMRRCLMDCPQ-UHFFFAOYSA-N 1 0 286.379 1.579 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000843120759 682321613 /nfs/dbraw/zinc/32/16/13/682321613.db2.gz UDONERNWTGCATF-INIZCTEOSA-N 1 0 299.374 1.942 20 10 CDCDRO COCCOCC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000808237690 682326837 /nfs/dbraw/zinc/32/68/37/682326837.db2.gz BTZXPUZMDHSPDF-UHFFFAOYSA-N 1 0 283.368 1.804 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCN1CCOC1=O ZINC000700949472 682359879 /nfs/dbraw/zinc/35/98/79/682359879.db2.gz ZKAYANZXYYAUJP-UHFFFAOYSA-N 1 0 275.352 1.350 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C[NH3+])c1 ZINC000841968581 682366974 /nfs/dbraw/zinc/36/69/74/682366974.db2.gz AXPOVMVRPFMUEA-BDAKNGLRSA-N 1 0 267.329 1.108 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000132925212 682375287 /nfs/dbraw/zinc/37/52/87/682375287.db2.gz NOTFZDOSTPXZEO-RISCZKNCSA-N 1 0 261.369 1.410 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000877786722 682389322 /nfs/dbraw/zinc/38/93/22/682389322.db2.gz VGIACQJUPGRYLC-UHFFFAOYSA-N 1 0 282.315 1.421 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000841947068 682396238 /nfs/dbraw/zinc/39/62/38/682396238.db2.gz MTJYOSYSJHBZEY-HNNXBMFYSA-N 1 0 290.411 1.631 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846074579 682477058 /nfs/dbraw/zinc/47/70/58/682477058.db2.gz DHNSBORNDNYDQZ-LBPRGKRZSA-N 1 0 274.364 1.801 20 10 CDCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000842224283 682515616 /nfs/dbraw/zinc/51/56/16/682515616.db2.gz BRXZQLNCDVTQRK-DGCLKSJQSA-N 1 0 273.760 1.657 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000841059162 682604625 /nfs/dbraw/zinc/60/46/25/682604625.db2.gz ZZFURLNAFYKLOL-MNOVXSKESA-N 1 0 295.339 1.669 20 10 CDCDRO COCC1([NH2+]Cc2cc(C)ccc2O)CCOCC1 ZINC000814302307 682609472 /nfs/dbraw/zinc/60/94/72/682609472.db2.gz RYOBUJHCLNUCNS-UHFFFAOYSA-N 1 0 265.353 1.986 20 10 CDCDRO Nc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000817958840 682629683 /nfs/dbraw/zinc/62/96/83/682629683.db2.gz ZOEIOAIPAOSHKF-CVEARBPZSA-N 1 0 275.396 1.168 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000783713796 682640531 /nfs/dbraw/zinc/64/05/31/682640531.db2.gz KGUCBDWTPSHWNK-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)S(C)(=O)=O ZINC000093962724 682676967 /nfs/dbraw/zinc/67/69/67/682676967.db2.gz UPZDYKUIHIFVNT-UHFFFAOYSA-N 1 0 291.800 1.958 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC[NH2+]C ZINC000841916019 682705711 /nfs/dbraw/zinc/70/57/11/682705711.db2.gz WQXHKSZLQQBIFA-UHFFFAOYSA-N 1 0 292.427 1.894 20 10 CDCDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2O)C1 ZINC000180288217 682776889 /nfs/dbraw/zinc/77/68/89/682776889.db2.gz GKJAEWCJNCJWTO-LBPRGKRZSA-N 1 0 280.343 1.832 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1O ZINC000848908788 682821278 /nfs/dbraw/zinc/82/12/78/682821278.db2.gz DIBQETOPNJCFOP-ZDUSSCGKSA-N 1 0 283.393 1.574 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)[NH3+] ZINC000841985513 682821471 /nfs/dbraw/zinc/82/14/71/682821471.db2.gz OJUQGLJLOWAVHL-GFCCVEGCSA-N 1 0 278.400 1.631 20 10 CDCDRO COc1cccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1O ZINC000086466843 682824709 /nfs/dbraw/zinc/82/47/09/682824709.db2.gz ULOJABSOXFOLES-QWRGUYRKSA-N 1 0 250.342 1.583 20 10 CDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834906391 682831755 /nfs/dbraw/zinc/83/17/55/682831755.db2.gz DSQSEKYMPUGOCI-GRYCIOLGSA-N 1 0 260.337 1.623 20 10 CDCDRO C[NH2+][C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955712 682836959 /nfs/dbraw/zinc/83/69/59/682836959.db2.gz KZUKJAMCHRHYFT-AWEZNQCLSA-N 1 0 276.384 1.205 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COCc1ccco1 ZINC000305241774 682848531 /nfs/dbraw/zinc/84/85/31/682848531.db2.gz RQMUKXNBQPDZEM-AWEZNQCLSA-N 1 0 291.347 1.995 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H]3[C@@H](C1)C3(F)F)OCO2 ZINC000844751726 682867899 /nfs/dbraw/zinc/86/78/99/682867899.db2.gz DOUVXPSSJCPTAJ-DTORHVGOSA-N 1 0 269.247 1.818 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H](C)O1 ZINC000877464198 683069634 /nfs/dbraw/zinc/06/96/34/683069634.db2.gz LYOBLOYMNFZPPT-GXTWGEPZSA-N 1 0 265.353 1.936 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870856811 683099849 /nfs/dbraw/zinc/09/98/49/683099849.db2.gz XGKLGWDQINCBLU-OKILXGFUSA-N 1 0 275.396 1.886 20 10 CDCDRO C[C@H](CCCC[NH3+])NC(=O)NCCc1ccc(N)cc1 ZINC000841955419 683111675 /nfs/dbraw/zinc/11/16/75/683111675.db2.gz BMOWOFVVINRZIM-GFCCVEGCSA-N 1 0 278.400 1.628 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@]2(OC)CCOC2)c1 ZINC000126980164 683118728 /nfs/dbraw/zinc/11/87/28/683118728.db2.gz HUYCUPGNBDLESY-CQSZACIVSA-N 1 0 267.325 1.296 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(F)ccc1O ZINC000094617261 683136954 /nfs/dbraw/zinc/13/69/54/683136954.db2.gz NPTJOIUWQJREFA-JOYOIKCWSA-N 1 0 266.316 1.851 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1c(C)cccc1O ZINC000876544937 683137539 /nfs/dbraw/zinc/13/75/39/683137539.db2.gz CFSPTRSVFZSBDG-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO C[N@H+](CCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876526011 683152090 /nfs/dbraw/zinc/15/20/90/683152090.db2.gz QGEBMYUPCBRJJL-UHFFFAOYSA-N 1 0 264.369 1.072 20 10 CDCDRO COC[C@H](C[NH2+]Cc1c(O)cccc1OC)OC ZINC000781414763 683156425 /nfs/dbraw/zinc/15/64/25/683156425.db2.gz BRVXFQFYDIZUME-JTQLQIEISA-N 1 0 255.314 1.152 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000858601096 683182791 /nfs/dbraw/zinc/18/27/91/683182791.db2.gz CERSSNKNQHFJGE-GXTWGEPZSA-N 1 0 282.359 1.639 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000846989648 683271668 /nfs/dbraw/zinc/27/16/68/683271668.db2.gz UCXQBKHUOLFQJE-GFCCVEGCSA-N 1 0 292.379 1.963 20 10 CDCDRO c1cn2c(n1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000778186983 683299833 /nfs/dbraw/zinc/29/98/33/683299833.db2.gz BKHWFBIGWJZYSW-CQSZACIVSA-N 1 0 269.348 1.923 20 10 CDCDRO O=C(C[NH+]1CCCC1)NCc1cc(Cl)ccc1O ZINC000824213143 683328933 /nfs/dbraw/zinc/32/89/33/683328933.db2.gz JKYUGEAIPXNPRA-UHFFFAOYSA-N 1 0 268.744 1.758 20 10 CDCDRO C[C@@H](Cc1c[nH]cn1)C(=O)N(C)Cc1ccccc1O ZINC000847569626 683338918 /nfs/dbraw/zinc/33/89/18/683338918.db2.gz GGDMOJBLYIMRRE-NSHDSACASA-N 1 0 273.336 1.953 20 10 CDCDRO Cc1ccc(O)c(C[N@H+](CC(N)=O)C2CCCC2)c1 ZINC000132981578 683376458 /nfs/dbraw/zinc/37/64/58/683376458.db2.gz NNQHTWQVHAWTGE-UHFFFAOYSA-N 1 0 262.353 1.931 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000816637265 683387337 /nfs/dbraw/zinc/38/73/37/683387337.db2.gz YIUHKLDPBHHFEQ-INIZCTEOSA-N 1 0 276.380 1.744 20 10 CDCDRO c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc2c1OCC2 ZINC000817902198 683395454 /nfs/dbraw/zinc/39/54/54/683395454.db2.gz KPTJMUFZTKORBK-IRXDYDNUSA-N 1 0 288.391 1.478 20 10 CDCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876562573 683421082 /nfs/dbraw/zinc/42/10/82/683421082.db2.gz ZSCTWUFAGXRDHE-MRXNPFEDSA-N 1 0 276.380 1.214 20 10 CDCDRO COCC(COC)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000846751140 683424064 /nfs/dbraw/zinc/42/40/64/683424064.db2.gz NGTMOKYVAQLZRF-UHFFFAOYSA-N 1 0 294.395 1.479 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709116 683424711 /nfs/dbraw/zinc/42/47/11/683424711.db2.gz CAIQOTRKTYWQED-AWEZNQCLSA-N 1 0 290.411 1.823 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2COCCO2)c1O ZINC000853560878 683541025 /nfs/dbraw/zinc/54/10/25/683541025.db2.gz ZIKDWGYFIJPAJS-ZDUSSCGKSA-N 1 0 281.352 1.556 20 10 CDCDRO Cc1cccnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267618 683625667 /nfs/dbraw/zinc/62/56/67/683625667.db2.gz XWBRQHMDXXOXJL-HNNXBMFYSA-N 1 0 298.390 1.886 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)c(O)c1 ZINC000799348516 683644035 /nfs/dbraw/zinc/64/40/35/683644035.db2.gz FWZXSXKLVAFZME-LJQANCHMSA-N 1 0 283.393 1.792 20 10 CDCDRO Nc1ccc(CCNC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000856997835 683644756 /nfs/dbraw/zinc/64/47/56/683644756.db2.gz FLEXXHQOTMNAPO-AWEZNQCLSA-N 1 0 275.396 1.707 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(N)cc2)C1 ZINC000843490986 683688705 /nfs/dbraw/zinc/68/87/05/683688705.db2.gz PGOZQDRVRFMKJZ-ZBFHGGJFSA-N 1 0 287.407 1.754 20 10 CDCDRO C[NH+](C)CC1(NC(=O)C2=CC(=O)CS2)CCC1 ZINC000839754879 683744290 /nfs/dbraw/zinc/74/42/90/683744290.db2.gz XPIZQLCBAXNDFB-UHFFFAOYSA-N 1 0 254.355 1.668 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC=CO1)OCO2 ZINC000380031256 683795947 /nfs/dbraw/zinc/79/59/47/683795947.db2.gz ZWUWHVFNBCHYLF-NSHDSACASA-N 1 0 263.293 1.903 20 10 CDCDRO Cc1ccc(O)c(CN(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000827159198 683798965 /nfs/dbraw/zinc/79/89/65/683798965.db2.gz ZJLDWWORKKJPBE-UHFFFAOYSA-N 1 0 293.411 1.152 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC(F)F)cc1 ZINC000717751253 683812154 /nfs/dbraw/zinc/81/21/54/683812154.db2.gz UKFCJFSARZMVBP-NSHDSACASA-N 1 0 258.312 1.858 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167944 683827849 /nfs/dbraw/zinc/82/78/49/683827849.db2.gz PHLVZUCJTMLWSQ-MNOVXSKESA-N 1 0 269.341 1.449 20 10 CDCDRO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650179 683869189 /nfs/dbraw/zinc/86/91/89/683869189.db2.gz NESVDIXMSJOMGR-RYUDHWBXSA-N 1 0 253.342 1.829 20 10 CDCDRO Cn1ccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000311803979 683871563 /nfs/dbraw/zinc/87/15/63/683871563.db2.gz BYEQOOXOJWFABF-CYBMUJFWSA-N 1 0 257.337 1.945 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCOCC1 ZINC000083551203 683872595 /nfs/dbraw/zinc/87/25/95/683872595.db2.gz QIKDVFFEVYIKPF-UHFFFAOYSA-N 1 0 270.760 1.467 20 10 CDCDRO CN(C)c1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1F ZINC000843049180 683875723 /nfs/dbraw/zinc/87/57/23/683875723.db2.gz IIDXZPPCBVJZSL-LBPRGKRZSA-N 1 0 251.349 1.685 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)CC1=O ZINC000846169769 683897885 /nfs/dbraw/zinc/89/78/85/683897885.db2.gz TWMYBRYFDHFCPL-QWRGUYRKSA-N 1 0 278.352 1.672 20 10 CDCDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230153848 683906509 /nfs/dbraw/zinc/90/65/09/683906509.db2.gz XXXHQIKWNHYHDA-YMTOWFKASA-N 1 0 265.309 1.778 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cccnc2)cc1 ZINC000832267589 683945479 /nfs/dbraw/zinc/94/54/79/683945479.db2.gz WTOBSIGMMADZGU-INIZCTEOSA-N 1 0 298.390 1.506 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN(C)CC ZINC000846807126 683969802 /nfs/dbraw/zinc/96/98/02/683969802.db2.gz AAQLGMHVUHKSIQ-OAHLLOKOSA-N 1 0 280.412 1.917 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000817965449 684010399 /nfs/dbraw/zinc/01/03/99/684010399.db2.gz VAKOEXRRQACCOL-SNVBAGLBSA-N 1 0 278.352 1.711 20 10 CDCDRO CN(C)C(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000037751726 684067514 /nfs/dbraw/zinc/06/75/14/684067514.db2.gz GASYOHUBYYMQJE-UHFFFAOYSA-N 1 0 291.395 1.091 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848925704 684130411 /nfs/dbraw/zinc/13/04/11/684130411.db2.gz DDDDJHGHVAKHPM-LBPRGKRZSA-N 1 0 272.352 1.476 20 10 CDCDRO C[NH+](C)CC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000854725068 684140780 /nfs/dbraw/zinc/14/07/80/684140780.db2.gz YMLICWPONJCYAF-XQRVVYSFSA-N 1 0 276.336 1.131 20 10 CDCDRO CNC(=O)C1([NH2+]Cc2ccc(C)cc2O)CCCC1 ZINC000877425284 684211501 /nfs/dbraw/zinc/21/15/01/684211501.db2.gz FIPPRFCBNZJICT-UHFFFAOYSA-N 1 0 262.353 1.849 20 10 CDCDRO O=C(C[NH2+][C@@H]1CCc2cccc(O)c21)NCC1CC1 ZINC000393048834 684302651 /nfs/dbraw/zinc/30/26/51/684302651.db2.gz DWWDSZMNOALLHV-GFCCVEGCSA-N 1 0 260.337 1.495 20 10 CDCDRO CNc1ccccc1NCCOCCOCC[NH3+] ZINC001170513416 1162712065 /nfs/dbraw/zinc/71/20/65/1162712065.db2.gz YAOYTYHAOZTOID-UHFFFAOYSA-N 1 0 253.346 1.132 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[C@@]12CCC[NH2+]C2 ZINC001580888403 1172564720 /nfs/dbraw/zinc/56/47/20/1172564720.db2.gz KICQDLDNLAAHCZ-CQSZACIVSA-N 1 0 268.307 1.998 20 10 CDCDRO O[C@@]1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCOC1 ZINC000229642096 1178131955 /nfs/dbraw/zinc/13/19/55/1178131955.db2.gz DMCFITORVLALRR-MRXNPFEDSA-N 1 0 276.380 1.528 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001140948209 898959567 /nfs/dbraw/zinc/95/95/67/898959567.db2.gz YHXBFUCTPUQVFV-GJZGRUSLSA-N 1 0 265.353 1.266 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](O)CC2)c(OC)c1 ZINC001141032103 899347184 /nfs/dbraw/zinc/34/71/84/899347184.db2.gz SEGRUVIRUYZJJH-NSHDSACASA-N 1 0 281.352 1.756 20 10 CDCDRO C[NH+]1CC2(C1)CCCN(C(=O)c1cccc(O)c1O)C2 ZINC001269607788 903975739 /nfs/dbraw/zinc/97/57/39/903975739.db2.gz KKLJAMARLOYHQS-UHFFFAOYSA-N 1 0 276.336 1.266 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)CCO)cc1Br ZINC001236255447 914824651 /nfs/dbraw/zinc/82/46/51/914824651.db2.gz FEHNEQLBIAOWQT-UHFFFAOYSA-N 1 0 274.158 1.887 20 10 CDCDRO CC1([NH3+])CN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001204979788 905484004 /nfs/dbraw/zinc/48/40/04/905484004.db2.gz PFPVRKSALCJJDU-UHFFFAOYSA-N 1 0 279.359 1.195 20 10 CDCDRO O=C1CC[C@H]2C[C@@H]([NH2+]Cc3ccc(O)c(O)c3)CCN12 ZINC001172158405 911389868 /nfs/dbraw/zinc/38/98/68/911389868.db2.gz VBRFETIQLIUOLZ-RYUDHWBXSA-N 1 0 276.336 1.341 20 10 CDCDRO COc1cccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1O ZINC001206406374 916095404 /nfs/dbraw/zinc/09/54/04/916095404.db2.gz XTIBIEBNROXJBG-GHMZBOCLSA-N 1 0 254.305 1.272 20 10 CDCDRO COc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c([O-])c1Cl ZINC001236800648 916475985 /nfs/dbraw/zinc/47/59/85/916475985.db2.gz CCSITQXERPADMQ-JTQLQIEISA-N 1 0 287.743 1.247 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1O ZINC001206447463 916990708 /nfs/dbraw/zinc/99/07/08/916990708.db2.gz YCLOOARBCSMBPW-QWRGUYRKSA-N 1 0 288.750 1.925 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@H](F)C3)cc2)CC1 ZINC001139409000 936618002 /nfs/dbraw/zinc/61/80/02/936618002.db2.gz RSRXCQUFCWVPHH-HZPDHXFCSA-N 1 0 295.377 1.930 20 10 CDCDRO Cc1cc(C[N@H+]2CCc3nncn3CC2)ccc1N(C)C ZINC001139670088 936634581 /nfs/dbraw/zinc/63/45/81/936634581.db2.gz HAKGSUCCWSBVAW-UHFFFAOYSA-N 1 0 285.395 1.711 20 10 CDCDRO CN1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2C1=O ZINC001140054830 936674515 /nfs/dbraw/zinc/67/45/15/936674515.db2.gz XWLQJTKXOTZVGJ-PWSUYJOCSA-N 1 0 264.300 1.051 20 10 CDCDRO CC[N@@H+]1CCO[C@@H]2CN(Cc3cc(F)ccc3O)C[C@@H]2C1 ZINC001140055276 936674625 /nfs/dbraw/zinc/67/46/25/936674625.db2.gz CKWPLWYLWCAPCJ-XJKSGUPXSA-N 1 0 294.370 1.684 20 10 CDCDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1Cl ZINC001140341192 936703295 /nfs/dbraw/zinc/70/32/95/936703295.db2.gz BOJCNDWHDLIKCI-UWVGGRQHSA-N 1 0 252.745 1.934 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464175 936712335 /nfs/dbraw/zinc/71/23/35/936712335.db2.gz FHEGMTHKYFKPNZ-LBPRGKRZSA-N 1 0 268.744 1.756 20 10 CDCDRO C[NH+](C)C[C@H]1CN(Cc2ccc(Cl)cc2O)CCO1 ZINC001140462590 936712461 /nfs/dbraw/zinc/71/24/61/936712461.db2.gz IXTFGBFSLMAVMZ-ZDUSSCGKSA-N 1 0 284.787 1.808 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140462921 936712500 /nfs/dbraw/zinc/71/25/00/936712500.db2.gz ODZMUEUENZQAJO-GXFFZTMASA-N 1 0 271.744 1.221 20 10 CDCDRO C[C@@]1(CO)C[N@H+](Cc2c([O-])cc(F)cc2F)CC[C@@H]1O ZINC001140582868 936727022 /nfs/dbraw/zinc/72/70/22/936727022.db2.gz OHBUBKKRJYRBII-KBPBESRZSA-N 1 0 287.306 1.236 20 10 CDCDRO O=C1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@@H]2CCCN12 ZINC001140585464 936728279 /nfs/dbraw/zinc/72/82/79/936728279.db2.gz JKCSSNFVBHTCGG-NSHDSACASA-N 1 0 296.317 1.867 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1O ZINC001140741707 936748102 /nfs/dbraw/zinc/74/81/02/936748102.db2.gz BAROKKMSHQPYKE-CABZTGNLSA-N 1 0 251.326 1.609 20 10 CDCDRO Cc1c(O)ccc(CN2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC001140748490 936749744 /nfs/dbraw/zinc/74/97/44/936749744.db2.gz HMYWIHSGVVVKNM-OCCSQVGLSA-N 1 0 276.380 1.932 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c(O)c1 ZINC001140949678 936783450 /nfs/dbraw/zinc/78/34/50/936783450.db2.gz HXKHKZRWUQWDAY-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(c3ccncn3)CC2)c(O)c1 ZINC001140957608 936784087 /nfs/dbraw/zinc/78/40/87/936784087.db2.gz DWUSIQDETGAVLU-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C[C@@H](O)CO ZINC001141075335 936809919 /nfs/dbraw/zinc/80/99/19/936809919.db2.gz NBJYEMJBHMOVQZ-MRXNPFEDSA-N 1 0 290.407 1.170 20 10 CDCDRO COCCC[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159999 936822546 /nfs/dbraw/zinc/82/25/46/936822546.db2.gz OTJLLILMYVWGNI-UHFFFAOYSA-N 1 0 280.368 1.252 20 10 CDCDRO Oc1ccc(O)c(CN2CCO[C@@]3(CCOC3)C2)c1 ZINC001141156095 936821507 /nfs/dbraw/zinc/82/15/07/936821507.db2.gz FEOGXWATYSEROQ-AWEZNQCLSA-N 1 0 265.309 1.089 20 10 CDCDRO CN(C)c1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)n1C ZINC000840890404 936967057 /nfs/dbraw/zinc/96/70/57/936967057.db2.gz RRXQNGIKYSSHHW-UHFFFAOYSA-N 1 0 286.379 1.711 20 10 CDCDRO COc1cccc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c1O ZINC001205802129 925078060 /nfs/dbraw/zinc/07/80/60/925078060.db2.gz AARAAIJJFFRHEW-AAEUAGOBSA-N 1 0 264.369 1.960 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1CO ZINC000857061736 928656940 /nfs/dbraw/zinc/65/69/40/928656940.db2.gz UUAKSLZIXGZNLN-CMPLNLGQSA-N 1 0 279.336 1.571 20 10 CDCDRO CCCCOC[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001252527596 928904957 /nfs/dbraw/zinc/90/49/57/928904957.db2.gz BYJZKIJTUFJOSA-ZDUSSCGKSA-N 1 0 283.368 1.408 20 10 CDCDRO Oc1ccc(CNc2ccc(OC3C[NH2+]C3)cn2)cc1O ZINC001169996787 928905493 /nfs/dbraw/zinc/90/54/93/928905493.db2.gz LILMWMUIEQBJHX-UHFFFAOYSA-N 1 0 287.319 1.456 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c1O ZINC000691464830 928955348 /nfs/dbraw/zinc/95/53/48/928955348.db2.gz KMSRTNFWWVUWIC-OAHLLOKOSA-N 1 0 277.412 1.290 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCCO1 ZINC000799163880 937379934 /nfs/dbraw/zinc/37/99/34/937379934.db2.gz OAMDSFCUXKIHLJ-SWLSCSKDSA-N 1 0 293.363 1.819 20 10 CDCDRO Cn1cc(/C=C/C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cn1 ZINC000818019420 930664299 /nfs/dbraw/zinc/66/42/99/930664299.db2.gz DVWSNLOBTYBUMF-UZYOAWRESA-N 1 0 282.347 1.350 20 10 CDCDRO O=C(CC[N@@H+]1CC[C@H](F)C1)NCc1cc(O)ccc1O ZINC001153885511 937480973 /nfs/dbraw/zinc/48/09/73/937480973.db2.gz PNGDMYJJNKRKDU-NSHDSACASA-N 1 0 282.315 1.148 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@H](C)C(=O)NCCF)c(O)c1 ZINC001308715035 931909978 /nfs/dbraw/zinc/90/99/78/931909978.db2.gz DQAUNHNAOXMYKA-SNVBAGLBSA-N 1 0 284.331 1.273 20 10 CDCDRO Cc1ncncc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001118193250 937600883 /nfs/dbraw/zinc/60/08/83/937600883.db2.gz MECKSGBKWZJKSJ-HNNXBMFYSA-N 1 0 299.378 1.281 20 10 CDCDRO COc1cc(CN2CC3(C2)CC[N@H+](C)C3)c(O)cc1O ZINC001276091707 932518672 /nfs/dbraw/zinc/51/86/72/932518672.db2.gz XXFQNHOCJDIYQA-UHFFFAOYSA-N 1 0 278.352 1.244 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2(CO)CCOCC2)c1O ZINC001119445710 937720560 /nfs/dbraw/zinc/72/05/60/937720560.db2.gz ORFNKQQSRQIVLP-UHFFFAOYSA-N 1 0 281.352 1.340 20 10 CDCDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120370916 937796157 /nfs/dbraw/zinc/79/61/57/937796157.db2.gz JVBRYQJHBUFUPE-AWEZNQCLSA-N 1 0 278.352 1.015 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC001120371070 937796482 /nfs/dbraw/zinc/79/64/82/937796482.db2.gz OOUNCYJAQLNKGS-GJZGRUSLSA-N 1 0 262.353 1.649 20 10 CDCDRO C[C@@]1(C[NH3+])CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC001161487777 938905882 /nfs/dbraw/zinc/90/58/82/938905882.db2.gz IPNVZSWXWBYLPW-HNNXBMFYSA-N 1 0 261.369 1.399 20 10 CDCDRO COc1cccc(N)c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163327829 939249157 /nfs/dbraw/zinc/24/91/57/939249157.db2.gz MMRZXGMUAJRIIE-IAQYHMDHSA-N 1 0 277.368 1.600 20 10 CDCDRO CC1(C)NC(=O)Nc2cc(N3CC[C@H]([NH3+])C3)ccc21 ZINC001164286789 939447326 /nfs/dbraw/zinc/44/73/26/939447326.db2.gz YELNAWWFZPMKKD-VIFPVBQESA-N 1 0 260.341 1.594 20 10 CDCDRO C[C@@H]1CN(C2C[NH+](Cc3ccccc3O)C2)C[C@H](C)O1 ZINC001203563049 939693248 /nfs/dbraw/zinc/69/32/48/939693248.db2.gz UFIDMJTUEKZQSM-BETUJISGSA-N 1 0 276.380 1.686 20 10 CDCDRO COC[C@]12COC[C@H]1C[N@H+](Cc1cc(OC)ccc1O)C2 ZINC001203673101 939700727 /nfs/dbraw/zinc/70/07/27/939700727.db2.gz NBWXHHMRDFYKSV-CZUORRHYSA-N 1 0 293.363 1.496 20 10 CDCDRO CCC(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878198 939711195 /nfs/dbraw/zinc/71/11/95/939711195.db2.gz CPZJDEHYWLXCKD-UHFFFAOYSA-N 1 0 278.352 1.588 20 10 CDCDRO C[N@@H+]1C[C@H]2CCCN(Cc3ccc(O)c(O)c3)[C@H]2C1 ZINC001203880904 939711351 /nfs/dbraw/zinc/71/13/51/939711351.db2.gz CGBDILWITRDLIU-OLZOCXBDSA-N 1 0 262.353 1.624 20 10 CDCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(O)c(O)c1 ZINC001203880909 939711679 /nfs/dbraw/zinc/71/16/79/939711679.db2.gz CGBDILWITRDLIU-STQMWFEESA-N 1 0 262.353 1.624 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001204326376 939755705 /nfs/dbraw/zinc/75/57/05/939755705.db2.gz XQHCLLDHIAEJFK-DOTOQJQBSA-N 1 0 290.407 1.462 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC3(COC3)C2)cc(O)c1O ZINC001204346229 939758499 /nfs/dbraw/zinc/75/84/99/939758499.db2.gz HEXHIYJVOZYNON-UHFFFAOYSA-N 1 0 279.336 1.719 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@@](C)(O)C2)cc(O)c1O ZINC001204344196 939758713 /nfs/dbraw/zinc/75/87/13/939758713.db2.gz VYFLAPPWOCBASB-OAHLLOKOSA-N 1 0 281.352 1.843 20 10 CDCDRO C[C@@]1([NH3+])CCN(Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001204782278 939789945 /nfs/dbraw/zinc/78/99/45/939789945.db2.gz CGIXNFSKYIQESE-MRXNPFEDSA-N 1 0 293.386 1.585 20 10 CDCDRO Cc1c(O)ccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205768919 939934074 /nfs/dbraw/zinc/93/40/74/939934074.db2.gz HFYVTBMJXZGYBD-NSHDSACASA-N 1 0 286.322 1.822 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)CC[NH3+] ZINC001239084360 945317003 /nfs/dbraw/zinc/31/70/03/945317003.db2.gz NFFSGJJJWBMBBD-UHFFFAOYSA-N 1 0 297.424 1.007 20 10 CDCDRO CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000400252925 940845532 /nfs/dbraw/zinc/84/55/32/940845532.db2.gz OSDPLLRAIWBGSC-RYUDHWBXSA-N 1 0 296.392 1.003 20 10 CDCDRO C[C@H](Cc1cccnc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258609737 945357599 /nfs/dbraw/zinc/35/75/99/945357599.db2.gz UAOICXHPLKBZPD-BDJLRTHQSA-N 1 0 288.347 1.747 20 10 CDCDRO c1ccn(-c2ccc(-c3nnc([C@H]4C[NH2+]CCN4)o3)cc2)c1 ZINC001217700561 941006356 /nfs/dbraw/zinc/00/63/56/941006356.db2.gz HYPXSAIBBSJCKY-CQSZACIVSA-N 1 0 295.346 1.761 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001219663748 941374678 /nfs/dbraw/zinc/37/46/78/941374678.db2.gz QMYHZNVIJQILIQ-IUCAKERBSA-N 1 0 298.770 1.727 20 10 CDCDRO Nc1ccc(CC(=O)N(CC[NH3+])c2ccc(F)cc2)cc1 ZINC001221060664 941495367 /nfs/dbraw/zinc/49/53/67/941495367.db2.gz JNJCDVKISKKWCK-UHFFFAOYSA-N 1 0 287.338 1.942 20 10 CDCDRO C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(C(=O)[O-])ccc3O)C2)C1 ZINC001231565593 942930834 /nfs/dbraw/zinc/93/08/34/942930834.db2.gz HRVKSYLZELHWNV-MRXNPFEDSA-N 1 0 290.363 1.618 20 10 CDCDRO Cc1cccc(C[NH+]2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c1O ZINC001231594877 942938385 /nfs/dbraw/zinc/93/83/85/942938385.db2.gz LUOWSSRWMOZORF-KBPBESRZSA-N 1 0 290.407 1.994 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(C3COC3)CC2)c1O ZINC001231590738 942938948 /nfs/dbraw/zinc/93/89/48/942938948.db2.gz GJAGMDNNEMEHHZ-UHFFFAOYSA-N 1 0 262.353 1.217 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@H](OC)C2)c(O)cc1O ZINC001231635078 942952061 /nfs/dbraw/zinc/95/20/61/942952061.db2.gz VHNOQLPTUYRHBC-JTQLQIEISA-N 1 0 253.298 1.327 20 10 CDCDRO CC[N@H+](CCn1cccn1)Cc1cc(OC)c(O)cc1O ZINC001231637796 942953567 /nfs/dbraw/zinc/95/35/67/942953567.db2.gz SOGNZNRQGFYBIO-UHFFFAOYSA-N 1 0 291.351 1.825 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001231843518 943027067 /nfs/dbraw/zinc/02/70/67/943027067.db2.gz ZWEJJBLEYBUFBB-CVEARBPZSA-N 1 0 279.380 1.574 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2O)C1 ZINC001231848765 943028741 /nfs/dbraw/zinc/02/87/41/943028741.db2.gz LNJATCGQNODIGG-ZDUSSCGKSA-N 1 0 262.353 1.719 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)c1 ZINC001232834087 943412401 /nfs/dbraw/zinc/41/24/01/943412401.db2.gz GHMHAQIHXZZGBQ-HNNXBMFYSA-N 1 0 264.369 1.663 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001232834784 943412645 /nfs/dbraw/zinc/41/26/45/943412645.db2.gz MOJPLQMWOWPOFV-OKILXGFUSA-N 1 0 262.353 1.821 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC001232836753 943413686 /nfs/dbraw/zinc/41/36/86/943413686.db2.gz SUIMWJCAOKUWQI-AWEZNQCLSA-N 1 0 250.342 1.415 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001232835476 943414117 /nfs/dbraw/zinc/41/41/17/943414117.db2.gz CTEMSWPEWBIPSS-JKSUJKDBSA-N 1 0 294.395 1.023 20 10 CDCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010286 943460376 /nfs/dbraw/zinc/46/03/76/943460376.db2.gz NSWDGBRKLIWSMD-VHSXEESVSA-N 1 0 267.325 1.396 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@H](C)C1 ZINC001233017934 943465688 /nfs/dbraw/zinc/46/56/88/943465688.db2.gz MMGUIMQBFYLMHA-MWLCHTKSSA-N 1 0 267.325 1.803 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2O)C[C@H]1O ZINC001233452431 943587880 /nfs/dbraw/zinc/58/78/80/943587880.db2.gz WIBDZKQDRDIINP-BXKDBHETSA-N 1 0 291.269 1.196 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1c(O)cccc1Cl)C2 ZINC001235159130 944074324 /nfs/dbraw/zinc/07/43/24/944074324.db2.gz QHHCLTGLKRCXQA-TVQRCGJNSA-N 1 0 252.745 1.969 20 10 CDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc2c(c1)OCCN2C ZINC001235447215 944159072 /nfs/dbraw/zinc/15/90/72/944159072.db2.gz UQJFWQWQSVUPPT-QWHCGFSZSA-N 1 0 275.396 1.697 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001236020553 944377846 /nfs/dbraw/zinc/37/78/46/944377846.db2.gz KZAMOLMVVZUMBP-HOCLYGCPSA-N 1 0 273.380 1.056 20 10 CDCDRO CN(Cc1c(O)ccc(F)c1F)C[C@@H]1CCC[NH2+]1 ZINC001236121983 944409758 /nfs/dbraw/zinc/40/97/58/944409758.db2.gz IORBPWLUPCRARV-VIFPVBQESA-N 1 0 256.296 1.854 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)cc1OC ZINC001236749862 944555564 /nfs/dbraw/zinc/55/55/64/944555564.db2.gz NQZHRBDMSMKZER-ZYHUDNBSSA-N 1 0 285.315 1.314 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC(C3COC3)C2)cc1OC ZINC001236749593 944555830 /nfs/dbraw/zinc/55/58/30/944555830.db2.gz HSGKFIWOPRVDER-UHFFFAOYSA-N 1 0 279.336 1.488 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc1OC ZINC001236750963 944557348 /nfs/dbraw/zinc/55/73/48/944557348.db2.gz NQZHRBDMSMKZER-JQWIXIFHSA-N 1 0 285.315 1.314 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236801248 944572689 /nfs/dbraw/zinc/57/26/89/944572689.db2.gz IKMUFTWKFHZVJN-UHFFFAOYSA-N 1 0 286.759 1.622 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)c(Cl)c1 ZINC001236806245 944572887 /nfs/dbraw/zinc/57/28/87/944572887.db2.gz RKMSTLMKZNAGGO-SNVBAGLBSA-N 1 0 282.771 1.944 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c(Cl)c1 ZINC001236808581 944577203 /nfs/dbraw/zinc/57/72/03/944577203.db2.gz OVAGNXHNIDRXML-UWVGGRQHSA-N 1 0 282.771 1.943 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)CC[C@H]1O ZINC001236826448 944584731 /nfs/dbraw/zinc/58/47/31/944584731.db2.gz JTZQWOQEKAMHSW-HZPDHXFCSA-N 1 0 287.359 1.721 20 10 CDCDRO C[C@@H]1C(=O)NCCN1Cc1cc2ccccc2cc1O ZINC001236841916 944589793 /nfs/dbraw/zinc/58/97/93/944589793.db2.gz QLKXSPNKNKDUBG-LLVKDONJSA-N 1 0 270.332 1.866 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3cc(F)cc(C)c3O)C2)C1 ZINC001238062255 945044699 /nfs/dbraw/zinc/04/46/99/945044699.db2.gz VPYGAPJWUZYSCL-UHFFFAOYSA-N 1 0 292.354 1.894 20 10 CDCDRO CCN(CC(=O)OC)Cc1cc(F)cc(C)c1O ZINC001238066724 945048331 /nfs/dbraw/zinc/04/83/31/945048331.db2.gz OYVFMGVYBBCHKD-UHFFFAOYSA-N 1 0 255.289 1.835 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCCCC[NH3+])cc1 ZINC001261374359 946084215 /nfs/dbraw/zinc/08/42/15/946084215.db2.gz HCTMHPPRJFYGAJ-UHFFFAOYSA-N 1 0 264.373 1.291 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001257028059 948485001 /nfs/dbraw/zinc/48/50/01/948485001.db2.gz QAEWKAHSRVLTHL-PWSUYJOCSA-N 1 0 279.336 1.919 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC001249171649 949436573 /nfs/dbraw/zinc/43/65/73/949436573.db2.gz DOJVKWNWTGEZEL-STQMWFEESA-N 1 0 297.326 1.012 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](F)C2)c(O)c1 ZINC001249172611 949439467 /nfs/dbraw/zinc/43/94/67/949439467.db2.gz OQMGFMKQCCFNPJ-GXTWGEPZSA-N 1 0 297.326 1.276 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC001249177852 949443294 /nfs/dbraw/zinc/44/32/94/949443294.db2.gz KJVSBGSUIZANOU-OAHLLOKOSA-N 1 0 279.336 1.064 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@@H](O)COCc2ccco2)cc1O ZINC001252657803 951545659 /nfs/dbraw/zinc/54/56/59/951545659.db2.gz XZTRROGOWFNYMU-GFCCVEGCSA-N 1 0 293.319 1.358 20 10 CDCDRO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc(F)c1[O-] ZINC001325720693 954045241 /nfs/dbraw/zinc/04/52/41/954045241.db2.gz GCIMOWXDJSXPOZ-IGYIBNOWSA-N 1 0 254.280 1.539 20 10 CDCDRO C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001327840617 955071935 /nfs/dbraw/zinc/07/19/35/955071935.db2.gz PWAADGDUJKOXOR-VHSXEESVSA-N 1 0 267.329 1.807 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001331520471 957114322 /nfs/dbraw/zinc/11/43/22/957114322.db2.gz PWIYTLAJLVSLGX-SNVBAGLBSA-N 1 0 274.311 1.128 20 10 CDCDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC001332156019 957454588 /nfs/dbraw/zinc/45/45/88/957454588.db2.gz DPXWHSAUTXGLFX-AWEZNQCLSA-N 1 0 275.396 1.659 20 10 CDCDRO CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC001334160790 958888964 /nfs/dbraw/zinc/88/89/64/958888964.db2.gz GVGJCBDZPWSUCI-HNNXBMFYSA-N 1 0 290.411 1.646 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC(=O)NCC(C)C)c1O ZINC001334360108 959054071 /nfs/dbraw/zinc/05/40/71/959054071.db2.gz QUWQMTNIVXQNIB-UHFFFAOYSA-N 1 0 280.368 1.571 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001320915269 959455946 /nfs/dbraw/zinc/45/59/46/959455946.db2.gz CVZSHHJVIUCLNF-HNNXBMFYSA-N 1 0 263.337 1.748 20 10 CDCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345189564 964626404 /nfs/dbraw/zinc/62/64/04/964626404.db2.gz AIWHAICUXDUHIO-IRXDYDNUSA-N 1 0 292.423 1.898 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(C(=O)[O-])ccc1O ZINC001593222554 994335338 /nfs/dbraw/zinc/33/53/38/994335338.db2.gz KYMDPROZUMLTJC-JBLDHEPKSA-N 1 0 278.352 1.868 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)CS(C)(=O)=O)c1O ZINC000078639418 260168244 /nfs/dbraw/zinc/16/82/44/260168244.db2.gz XHXXZNAPXGRYNQ-SNVBAGLBSA-N 1 0 287.381 1.314 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CO)COC2)cc1 ZINC000090644369 342396833 /nfs/dbraw/zinc/39/68/33/342396833.db2.gz VRTKGAXLKSPFTM-CYBMUJFWSA-N 1 0 278.396 1.802 20 10 CDCDRO Cc1ccc(C[NH2+]CC(C)(C)OCCO)c(O)c1 ZINC000877536049 684611258 /nfs/dbraw/zinc/61/12/58/684611258.db2.gz WCGVYAFRFVMLBC-UHFFFAOYSA-N 1 0 253.342 1.578 20 10 CDCDRO OCCCN1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000295130170 199361375 /nfs/dbraw/zinc/36/13/75/199361375.db2.gz OLHQDJFCVOVWCY-LBPRGKRZSA-N 1 0 298.814 1.982 20 10 CDCDRO O=C(c1cccc(O)c1O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000187117571 357729855 /nfs/dbraw/zinc/72/98/55/357729855.db2.gz WBXLLJAOWLMLJW-LBPRGKRZSA-N 1 0 290.363 1.656 20 10 CDCDRO OCCOC1CC[NH+](Cc2ccccc2O)CC1 ZINC000779034584 684839151 /nfs/dbraw/zinc/83/91/51/684839151.db2.gz YORZCZOAOZDRQJ-UHFFFAOYSA-N 1 0 251.326 1.366 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000188669456 357924654 /nfs/dbraw/zinc/92/46/54/357924654.db2.gz NQSFCLDQSNJEJU-UHFFFAOYSA-N 1 0 262.353 1.795 20 10 CDCDRO COCCO[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000188829376 357941946 /nfs/dbraw/zinc/94/19/46/357941946.db2.gz NOQKWNATIRNZRJ-AWEZNQCLSA-N 1 0 265.353 1.938 20 10 CDCDRO COc1ccc(O)c(CN2CCC[C@@]23CCOC3=O)c1 ZINC000190033997 358049835 /nfs/dbraw/zinc/04/98/35/358049835.db2.gz KBJFNUDVKCHOIK-HNNXBMFYSA-N 1 0 277.320 1.682 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(CC)C(=O)C2)c1 ZINC000191545024 358138016 /nfs/dbraw/zinc/13/80/16/358138016.db2.gz STABMHQMZUTZDF-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H](C)[NH3+] ZINC000192104560 358175267 /nfs/dbraw/zinc/17/52/67/358175267.db2.gz NAJNSQABSQZCKM-NEPJUHHUSA-N 1 0 275.396 1.669 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCC(O)CC1 ZINC000294884078 199229971 /nfs/dbraw/zinc/22/99/71/199229971.db2.gz QGUCDWYNAXMPDN-UHFFFAOYSA-N 1 0 284.787 1.592 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000293966143 358532694 /nfs/dbraw/zinc/53/26/94/358532694.db2.gz AKTBQKSGPOTUBX-DZGCQCFKSA-N 1 0 275.396 1.886 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+](CC(N)=O)CC(C)C)c1 ZINC000092011933 358535045 /nfs/dbraw/zinc/53/50/45/358535045.db2.gz SSYIBAKMQRJQFX-UHFFFAOYSA-N 1 0 280.368 1.734 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC000437012270 361637921 /nfs/dbraw/zinc/63/79/21/361637921.db2.gz KTBDCRZJWAKAMW-CQSZACIVSA-N 1 0 289.379 1.572 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000282498991 364126103 /nfs/dbraw/zinc/12/61/03/364126103.db2.gz WMABHIUHLJGSFV-IBGZPJMESA-N 1 0 283.393 1.792 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269272820 364171598 /nfs/dbraw/zinc/17/15/98/364171598.db2.gz UJKLMLGARXONGB-ABAIWWIYSA-N 1 0 273.380 1.410 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)CC2(C)C)c1 ZINC000271874402 365002253 /nfs/dbraw/zinc/00/22/53/365002253.db2.gz SRSOJTMICMIRSO-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c(O)c1 ZINC000293885069 370841524 /nfs/dbraw/zinc/84/15/24/370841524.db2.gz VPQHRFMSVLOQLZ-GJZGRUSLSA-N 1 0 291.439 1.905 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CC1=O ZINC000263706493 370860027 /nfs/dbraw/zinc/86/00/27/370860027.db2.gz HBXDMYVNYPTPMD-JTQLQIEISA-N 1 0 299.168 1.475 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COCCN2)c1 ZINC000530221050 368150543 /nfs/dbraw/zinc/15/05/43/368150543.db2.gz CDJXSGGXRRAGND-QWRGUYRKSA-N 1 0 266.341 1.040 20 10 CDCDRO CO[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000266603640 370915114 /nfs/dbraw/zinc/91/51/14/370915114.db2.gz FNUNQABFCZJLJW-CQSZACIVSA-N 1 0 267.325 1.882 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000295218882 371154939 /nfs/dbraw/zinc/15/49/39/371154939.db2.gz QTMMORRZUPKNAK-DZGCQCFKSA-N 1 0 275.396 1.835 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000851656294 684914179 /nfs/dbraw/zinc/91/41/79/684914179.db2.gz HZSBAJCRNNQVKG-LBPRGKRZSA-N 1 0 278.400 1.468 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[NH3+])cc1 ZINC000841718244 685000995 /nfs/dbraw/zinc/00/09/95/685000995.db2.gz QCSCXPMGHMUZGV-GFCCVEGCSA-N 1 0 278.400 1.679 20 10 CDCDRO Cc1c(/C=C\C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cnn1C ZINC000493050836 253357048 /nfs/dbraw/zinc/35/70/48/253357048.db2.gz OYUCUAAARLWOOG-ZPIQOJFGSA-N 1 0 296.374 1.658 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2(OC)CCOCC2)c1 ZINC000182655039 685017736 /nfs/dbraw/zinc/01/77/36/685017736.db2.gz ZKCLGTXVJVWNQT-UHFFFAOYSA-N 1 0 281.352 1.686 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297861585 285375433 /nfs/dbraw/zinc/37/54/33/285375433.db2.gz UCSSRLKKWUBTCM-NWDGAFQWSA-N 1 0 251.326 1.367 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(N)=O)CC2)c1 ZINC000092754298 390896578 /nfs/dbraw/zinc/89/65/78/390896578.db2.gz ZOWIPIGUESGCHM-UHFFFAOYSA-N 1 0 263.341 1.287 20 10 CDCDRO COC(=O)C[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 ZINC000176139095 391148220 /nfs/dbraw/zinc/14/82/20/391148220.db2.gz CCPGYXOCVSWAON-AWEZNQCLSA-N 1 0 293.363 1.773 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000176754267 391157779 /nfs/dbraw/zinc/15/77/79/391157779.db2.gz DMOAFRQDVNZMRF-CQSZACIVSA-N 1 0 266.410 1.710 20 10 CDCDRO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(O)c1O ZINC000182504476 391236523 /nfs/dbraw/zinc/23/65/23/391236523.db2.gz WOYHNPZVSYDNMF-NSHDSACASA-N 1 0 278.352 1.572 20 10 CDCDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000269106281 391238752 /nfs/dbraw/zinc/23/87/52/391238752.db2.gz BULPXHGWHMVTQE-CQSZACIVSA-N 1 0 298.390 1.923 20 10 CDCDRO Oc1ccccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000179574551 391211355 /nfs/dbraw/zinc/21/13/55/391211355.db2.gz GWNCAKZVQBJWDN-UHFFFAOYSA-N 1 0 290.407 1.936 20 10 CDCDRO CC[NH+](CC)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183469595 391265963 /nfs/dbraw/zinc/26/59/63/391265963.db2.gz XERMDHLDOLOCKY-NSHDSACASA-N 1 0 280.368 1.487 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000164756233 391289460 /nfs/dbraw/zinc/28/94/60/391289460.db2.gz QVKRTKZHAAWKGX-PIGZYNQJSA-N 1 0 255.383 1.947 20 10 CDCDRO C[C@H]([NH2+]CCCCO)c1ccc(N2CCOCC2)cc1 ZINC000194227767 391353849 /nfs/dbraw/zinc/35/38/49/391353849.db2.gz GTBDNDVAGUKFFM-AWEZNQCLSA-N 1 0 278.396 1.946 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2cccc(OC)c2O)cn1 ZINC000281918861 391426285 /nfs/dbraw/zinc/42/62/85/391426285.db2.gz GSNBJQMPAALRPQ-UHFFFAOYSA-N 1 0 291.351 1.534 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)OC ZINC000227705565 392041241 /nfs/dbraw/zinc/04/12/41/392041241.db2.gz LSNOFGLMECVSFL-CYBMUJFWSA-N 1 0 251.326 1.373 20 10 CDCDRO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000038052027 174063465 /nfs/dbraw/zinc/06/34/65/174063465.db2.gz ZPKWKQVOKTUZAY-LBPRGKRZSA-N 1 0 281.377 1.146 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000090849198 260262386 /nfs/dbraw/zinc/26/23/86/260262386.db2.gz XHUVHNHPMJETER-SWLSCSKDSA-N 1 0 264.369 1.555 20 10 CDCDRO Oc1cc2c(cc1CN1CCC[N@@H+]3CCC[C@@H]3C1)OCO2 ZINC000052087639 261057336 /nfs/dbraw/zinc/05/73/36/261057336.db2.gz YWVOUIVRMUPHAE-CYBMUJFWSA-N 1 0 290.363 1.791 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000172070314 261069749 /nfs/dbraw/zinc/06/97/49/261069749.db2.gz KAQHFCHXDROZTQ-HNNXBMFYSA-N 1 0 265.353 1.499 20 10 CDCDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccccc1O ZINC000155606323 261104666 /nfs/dbraw/zinc/10/46/66/261104666.db2.gz XQUBVBUUBWUDPD-GFCCVEGCSA-N 1 0 271.382 1.868 20 10 CDCDRO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cc(F)ccc1O ZINC000185003083 262036964 /nfs/dbraw/zinc/03/69/64/262036964.db2.gz QERKCRLFRCPZOQ-SNVBAGLBSA-N 1 0 296.342 1.464 20 10 CDCDRO CC(C)[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000186807757 262325149 /nfs/dbraw/zinc/32/51/49/262325149.db2.gz OAPQMHGOPWBBQX-UHFFFAOYSA-N 1 0 278.352 1.700 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000276826888 263038300 /nfs/dbraw/zinc/03/83/00/263038300.db2.gz QCGRISUASALMBT-CQSZACIVSA-N 1 0 274.364 1.897 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000371241875 267376879 /nfs/dbraw/zinc/37/68/79/267376879.db2.gz DQOWVZCEWGPSHD-MRXNPFEDSA-N 1 0 287.407 1.802 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@H](CC)CO)c1O ZINC000295148176 276379708 /nfs/dbraw/zinc/37/97/08/276379708.db2.gz QTHOVJUIJZNAKD-LBPRGKRZSA-N 1 0 253.342 1.994 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2(CO)CCC2)cc1F ZINC000268981741 328188120 /nfs/dbraw/zinc/18/81/20/328188120.db2.gz QZMDVHQJBLCDJA-UHFFFAOYSA-N 1 0 252.333 1.896 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062973059 329356691 /nfs/dbraw/zinc/35/66/91/329356691.db2.gz FZEWDKANLDFEGF-HNNXBMFYSA-N 1 0 273.380 1.508 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCOCC(F)F)c1 ZINC000189009483 329374788 /nfs/dbraw/zinc/37/47/88/329374788.db2.gz ZNKXRXIRPFSWBK-UHFFFAOYSA-N 1 0 261.268 1.772 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]Cc2cnnn2CC)c1 ZINC000527728162 330277737 /nfs/dbraw/zinc/27/77/37/330277737.db2.gz PUIHKRXCXCHHFJ-UHFFFAOYSA-N 1 0 276.340 1.692 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000228094431 333294911 /nfs/dbraw/zinc/29/49/11/333294911.db2.gz JRSQOWXFMCJNRA-QMTHXVAHSA-N 1 0 267.325 1.030 20 10 CDCDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000230992701 333323383 /nfs/dbraw/zinc/32/33/83/333323383.db2.gz WSODAHIIQHVETJ-GFCCVEGCSA-N 1 0 299.440 1.295 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000252667181 334384674 /nfs/dbraw/zinc/38/46/74/334384674.db2.gz GIANITUMOFASPP-KBPBESRZSA-N 1 0 296.798 1.998 20 10 CDCDRO Cc1cccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1O ZINC000292731533 334886044 /nfs/dbraw/zinc/88/60/44/334886044.db2.gz GIZNFUKMSOJSAN-UHFFFAOYSA-N 1 0 297.420 1.957 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1O ZINC000228357059 1161399336 /nfs/dbraw/zinc/39/93/36/1161399336.db2.gz LUFOLAQLIDFCAJ-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO CC(C)C[C@@H](CNC(=O)Cc1ccc(N)cc1)[NH+](C)C ZINC000040831305 519209935 /nfs/dbraw/zinc/20/99/35/519209935.db2.gz AACPLLAFAKJHDQ-HNNXBMFYSA-N 1 0 277.412 1.904 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCOCC(F)F)OCO2 ZINC000190889535 534448151 /nfs/dbraw/zinc/44/81/51/534448151.db2.gz FQDPAABQESLABF-UHFFFAOYSA-N 1 0 275.251 1.492 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000186820033 520175234 /nfs/dbraw/zinc/17/52/34/520175234.db2.gz JXFUMOKXAIBPNM-LBPRGKRZSA-N 1 0 263.385 1.882 20 10 CDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H]1O ZINC000280619620 520474891 /nfs/dbraw/zinc/47/48/91/520474891.db2.gz ZRWILVBBGULNIN-ZDUSSCGKSA-N 1 0 265.309 1.324 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000280346584 521365993 /nfs/dbraw/zinc/36/59/93/521365993.db2.gz RXVZSJPUMVPPRC-KBPBESRZSA-N 1 0 295.379 1.526 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070577456 522201210 /nfs/dbraw/zinc/20/12/10/522201210.db2.gz CEBYSDILFHCGAC-KGLIPLIRSA-N 1 0 275.396 1.886 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C(CO)CO)c(C(F)(F)F)c1 ZINC000281033006 522205799 /nfs/dbraw/zinc/20/57/99/522205799.db2.gz YQPQNUSOVDYZTD-UHFFFAOYSA-N 1 0 292.301 1.214 20 10 CDCDRO COC[C@H](C[NH2+]Cc1cccc(OC)c1O)OC ZINC000227706689 522680393 /nfs/dbraw/zinc/68/03/93/522680393.db2.gz PSUJEJKKDPIXHM-NSHDSACASA-N 1 0 255.314 1.152 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000289463693 523412127 /nfs/dbraw/zinc/41/21/27/523412127.db2.gz ACNSJPLNGSBQGT-HUUCEWRRSA-N 1 0 275.396 1.757 20 10 CDCDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccccc2O)C1 ZINC000299500439 524224929 /nfs/dbraw/zinc/22/49/29/524224929.db2.gz LQAUSYOBSQYMEF-CYBMUJFWSA-N 1 0 291.395 1.923 20 10 CDCDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000295084453 524533186 /nfs/dbraw/zinc/53/31/86/524533186.db2.gz SLPSRCMFVPCTHF-HFAKWTLXSA-N 1 0 261.369 1.314 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040775112 524753210 /nfs/dbraw/zinc/75/32/10/524753210.db2.gz QFUUEVHBSNTJBV-GFCCVEGCSA-N 1 0 253.342 1.897 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCOCC2)c1 ZINC000289491278 524762639 /nfs/dbraw/zinc/76/26/39/524762639.db2.gz RRHAJBXRENABLG-CYBMUJFWSA-N 1 0 294.395 1.774 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[S@](=O)C1 ZINC000277311890 525015838 /nfs/dbraw/zinc/01/58/38/525015838.db2.gz BPGZPGCGYWZMOT-DIFFPNOSSA-N 1 0 253.367 1.593 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1O ZINC000289547877 525917524 /nfs/dbraw/zinc/91/75/24/525917524.db2.gz IJZMXGBZUFXMBH-VXGBXAGGSA-N 1 0 251.326 1.746 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261659690 527237054 /nfs/dbraw/zinc/23/70/54/527237054.db2.gz AODAWTUDBQEVHN-TZMCWYRMSA-N 1 0 261.369 1.303 20 10 CDCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(Cl)ccc1O ZINC000725848960 574444360 /nfs/dbraw/zinc/44/43/60/574444360.db2.gz DWUFKIVEBPMXSQ-VIFPVBQESA-N 1 0 266.732 1.815 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1F ZINC000734163178 575161140 /nfs/dbraw/zinc/16/11/40/575161140.db2.gz BKPUSOVCKZSEDC-CYBMUJFWSA-N 1 0 252.333 1.752 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000769935733 575398970 /nfs/dbraw/zinc/39/89/70/575398970.db2.gz QBRIHGARBJWXCF-LLVKDONJSA-N 1 0 294.351 1.721 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCC[S@@](C)=O ZINC000735085302 575423781 /nfs/dbraw/zinc/42/37/81/575423781.db2.gz QAYPUJITPTVNHT-QGZVFWFLSA-N 1 0 257.355 1.259 20 10 CDCDRO OCC[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000764678239 575933726 /nfs/dbraw/zinc/93/37/26/575933726.db2.gz LJFXBEMGQZRIHQ-AWEZNQCLSA-N 1 0 283.343 1.799 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000768137298 576260453 /nfs/dbraw/zinc/26/04/53/576260453.db2.gz IXKYIWKZDZWNGG-NSHDSACASA-N 1 0 264.325 1.098 20 10 CDCDRO COc1cccc(CN2CC[NH+](CCCCO)CC2)c1O ZINC000769394134 576351662 /nfs/dbraw/zinc/35/16/62/576351662.db2.gz IZKFZKZWFAHXLI-UHFFFAOYSA-N 1 0 294.395 1.291 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c(O)c1C ZINC000762784851 576671412 /nfs/dbraw/zinc/67/14/12/576671412.db2.gz ALRURKXCGZFVJB-BBRMVZONSA-N 1 0 278.396 1.726 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1 ZINC000756490218 576991976 /nfs/dbraw/zinc/99/19/76/576991976.db2.gz MJUKKJRCWKYFPQ-CYBMUJFWSA-N 1 0 291.395 1.125 20 10 CDCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(F)ccc1O ZINC000756758609 577003317 /nfs/dbraw/zinc/00/33/17/577003317.db2.gz INGXQHLLDKCYRM-PGUXBMHVSA-N 1 0 282.359 1.901 20 10 CDCDRO C[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000892001413 617399426 /nfs/dbraw/zinc/39/94/26/617399426.db2.gz VIAXPHOMHYMKKE-NEPJUHHUSA-N 1 0 277.368 1.752 20 10 CDCDRO CCOCCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892478069 617405958 /nfs/dbraw/zinc/40/59/58/617405958.db2.gz CCRGXGLLSKMBEX-UHFFFAOYSA-N 1 0 269.341 1.926 20 10 CDCDRO CCC([NH3+])(CC)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892037155 617432062 /nfs/dbraw/zinc/43/20/62/617432062.db2.gz VIJSWIGQZJKAIJ-UHFFFAOYSA-N 1 0 277.368 1.935 20 10 CDCDRO COc1ccc(C[NH2+]CCCNC(C)=O)c(O)c1OC ZINC000892506546 617445482 /nfs/dbraw/zinc/44/54/82/617445482.db2.gz GYSIFFKTMHZXHQ-UHFFFAOYSA-N 1 0 282.340 1.025 20 10 CDCDRO COc1ccc(CN2CC[N@H+](C)CC2(C)C)c(O)c1OC ZINC000892056371 617451335 /nfs/dbraw/zinc/45/13/35/617451335.db2.gz QWOPZZWPGOWCQZ-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO CN(C)c1ccc(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1F ZINC000925530156 617460158 /nfs/dbraw/zinc/46/01/58/617460158.db2.gz OKEVKSHHHBKYCU-NTLKJNNPSA-N 1 0 289.398 1.978 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)c(O)c1OC ZINC000892566821 617508289 /nfs/dbraw/zinc/50/82/89/617508289.db2.gz ODCXCQZMOQTRJJ-NSHDSACASA-N 1 0 291.351 1.784 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938381 617613973 /nfs/dbraw/zinc/61/39/73/617613973.db2.gz OGNWIIHDJQGEGG-UHFFFAOYSA-N 1 0 279.428 1.465 20 10 CDCDRO C[C@@H](NC(=O)NC1CC[NH2+]CC1)c1ccccc1O ZINC000891960837 617891758 /nfs/dbraw/zinc/89/17/58/617891758.db2.gz BEEDMOBKBGFYJN-SNVBAGLBSA-N 1 0 263.341 1.504 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](C)OC)c(O)c1OC ZINC000893911969 618169572 /nfs/dbraw/zinc/16/95/72/618169572.db2.gz XIGQYZYEABROPE-VIFPVBQESA-N 1 0 255.314 1.534 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)C(C)C)c(O)c1OC ZINC000892442178 618207792 /nfs/dbraw/zinc/20/77/92/618207792.db2.gz XTVJOUXHXLGEBC-UHFFFAOYSA-N 1 0 296.367 1.271 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c(O)c1OC ZINC000893949442 618215641 /nfs/dbraw/zinc/21/56/41/618215641.db2.gz NQCDTRCVGWKZCT-GXSJLCMTSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000893984218 618237701 /nfs/dbraw/zinc/23/77/01/618237701.db2.gz LWYNHVAZYCSLQH-CYBMUJFWSA-N 1 0 290.363 1.516 20 10 CDCDRO CCOc1cccc(CNC[C@]2(COC)CCC[NH2+]2)c1O ZINC000841067212 618680238 /nfs/dbraw/zinc/68/02/38/618680238.db2.gz KSBJTKGVIORROR-INIZCTEOSA-N 1 0 294.395 1.649 20 10 CDCDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CNCCO1 ZINC000841099276 618682378 /nfs/dbraw/zinc/68/23/78/618682378.db2.gz ODUWSGWPXDGWDX-QGZVFWFLSA-N 1 0 289.423 1.755 20 10 CDCDRO CCOc1ccc(CN2CCO[C@H]([C@H](C)[NH3+])C2)c(O)c1 ZINC000843057040 618691066 /nfs/dbraw/zinc/69/10/66/618691066.db2.gz FOBBUMIEQGLBFN-NHYWBVRUSA-N 1 0 280.368 1.339 20 10 CDCDRO C[C@@H](C[NH3+])N(C)C(=O)NCCCSc1nccs1 ZINC000841857701 618834352 /nfs/dbraw/zinc/83/43/52/618834352.db2.gz QRILYSGCCWFXGQ-VIFPVBQESA-N 1 0 288.442 1.614 20 10 CDCDRO COc1ccc(C[N@@H+](C)C[C@@H](C)OC)c(O)c1OC ZINC000894435404 618885715 /nfs/dbraw/zinc/88/57/15/618885715.db2.gz OSMZJLWYGXIYOD-SNVBAGLBSA-N 1 0 269.341 1.876 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](CO)CC(F)F)c1O ZINC000894568018 618967346 /nfs/dbraw/zinc/96/73/46/618967346.db2.gz VAJFHAHRKBXYML-SNVBAGLBSA-N 1 0 275.295 1.815 20 10 CDCDRO CCOCc1cc(C[NH2+]CC(=O)N(C)OC)ccc1OC ZINC000895040789 619218454 /nfs/dbraw/zinc/21/84/54/619218454.db2.gz JEDFURYROAYHGU-UHFFFAOYSA-N 1 0 296.367 1.341 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)c1O ZINC000895326505 619564999 /nfs/dbraw/zinc/56/49/99/619564999.db2.gz YOROORSXBULVHD-DZGCQCFKSA-N 1 0 265.353 1.272 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c(O)c1 ZINC000897628621 621039288 /nfs/dbraw/zinc/03/92/88/621039288.db2.gz GIDQTBCRWKSSSD-ZDUSSCGKSA-N 1 0 292.379 1.890 20 10 CDCDRO CCc1cccc(C[N@H+](CC)CCC(=O)NC)c1O ZINC000897709187 621082310 /nfs/dbraw/zinc/08/23/10/621082310.db2.gz LTCATJLGRCCVOS-UHFFFAOYSA-N 1 0 264.369 1.913 20 10 CDCDRO COc1cccc(C[NH2+]CC[C@H](O)C2CC2)c1O ZINC000898205144 621361750 /nfs/dbraw/zinc/36/17/50/621361750.db2.gz AEKRXQAIZCHBED-LBPRGKRZSA-N 1 0 251.326 1.651 20 10 CDCDRO C[C@H](Cn1cccn1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045178 621590104 /nfs/dbraw/zinc/59/01/04/621590104.db2.gz JAVQCRHSFDYDCT-CZUORRHYSA-N 1 0 287.411 1.627 20 10 CDCDRO C[C@H](CCO)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448826 621741001 /nfs/dbraw/zinc/74/10/01/621741001.db2.gz YCVCJNLAZFAXGC-CJNGLKHVSA-N 1 0 279.428 1.716 20 10 CDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C)cc1O ZINC000898547364 621788571 /nfs/dbraw/zinc/78/85/71/621788571.db2.gz GXTGMQDSXSVNJH-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1ccc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])c(O)c1 ZINC000832178806 631087934 /nfs/dbraw/zinc/08/79/34/631087934.db2.gz XJZGPYNBXTZVPG-RKDXNWHRSA-N 1 0 252.314 1.000 20 10 CDCDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2O)CC1 ZINC000915526458 631759169 /nfs/dbraw/zinc/75/91/69/631759169.db2.gz YYUBCWGFHPPQSM-UHFFFAOYSA-N 1 0 263.341 1.286 20 10 CDCDRO CCCNC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000036780994 684363510 /nfs/dbraw/zinc/36/35/10/684363510.db2.gz CAXNXOVQEIFKLU-NSHDSACASA-N 1 0 250.342 1.877 20 10 CDCDRO COC[C@@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000793324916 685269737 /nfs/dbraw/zinc/26/97/37/685269737.db2.gz OGGWSYLLROCBMU-CQSZACIVSA-N 1 0 294.395 1.261 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000036933216 685288255 /nfs/dbraw/zinc/28/82/55/685288255.db2.gz VFTFLDOKNZDTJO-LLVKDONJSA-N 1 0 284.787 1.856 20 10 CDCDRO C[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000841929618 685282601 /nfs/dbraw/zinc/28/26/01/685282601.db2.gz WRZGDNXDPKTZHL-JSGCOSHPSA-N 1 0 290.411 1.499 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)CCF)c1 ZINC000846097260 685326849 /nfs/dbraw/zinc/32/68/49/685326849.db2.gz OYZFKEGJVCZDQL-NSHDSACASA-N 1 0 257.305 1.601 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000780893765 685548365 /nfs/dbraw/zinc/54/83/65/685548365.db2.gz ZWEJMAOHVJPHPI-NEPJUHHUSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC000802660237 685550646 /nfs/dbraw/zinc/55/06/46/685550646.db2.gz FVMLIHNDWUPOMK-CYBMUJFWSA-N 1 0 255.289 1.307 20 10 CDCDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809768556 685616762 /nfs/dbraw/zinc/61/67/62/685616762.db2.gz OMUQAXCAKWQIDM-LBPRGKRZSA-N 1 0 297.351 1.339 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)C2CC2)c1 ZINC000182405193 684324360 /nfs/dbraw/zinc/32/43/60/684324360.db2.gz BAPKXSQQJMXJRA-JTQLQIEISA-N 1 0 278.352 1.672 20 10 CDCDRO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)[NH3+] ZINC000399412541 684359111 /nfs/dbraw/zinc/35/91/11/684359111.db2.gz WUXWUOIRHJKQNC-DOMZBBRYSA-N 1 0 277.412 1.988 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](CO)(COC)C2)c1 ZINC000825158535 684409810 /nfs/dbraw/zinc/40/98/10/684409810.db2.gz OZTSBZWPOBTJQO-INIZCTEOSA-N 1 0 295.379 1.622 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC000883404219 684462510 /nfs/dbraw/zinc/46/25/10/684462510.db2.gz TYVWUUADDLXRAZ-OAHLLOKOSA-N 1 0 287.407 1.853 20 10 CDCDRO C[C@H]([NH2+]CCCC(=O)NC(N)=O)c1ccc(N(C)C)cc1 ZINC000775837495 684467567 /nfs/dbraw/zinc/46/75/67/684467567.db2.gz TVLLUDNOBFBWMI-NSHDSACASA-N 1 0 292.383 1.378 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000846673198 684511826 /nfs/dbraw/zinc/51/18/26/684511826.db2.gz QOCGFKGSJYLRHB-AWEZNQCLSA-N 1 0 275.396 1.759 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1=O ZINC000846094424 684531207 /nfs/dbraw/zinc/53/12/07/684531207.db2.gz TVTFCFCQZLAMRR-AWEZNQCLSA-N 1 0 276.380 1.962 20 10 CDCDRO CN(C)c1ccc(CN(c2nc(N)[nH+]c(N)n2)C2CC2)cc1 ZINC000858359587 684560352 /nfs/dbraw/zinc/56/03/52/684560352.db2.gz XSCIIOKBNLAISH-UHFFFAOYSA-N 1 0 299.382 1.271 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C)C2=O)c1 ZINC000121033981 684567372 /nfs/dbraw/zinc/56/73/72/684567372.db2.gz RHLWVLOMOXUSQY-JOYOIKCWSA-N 1 0 264.325 1.282 20 10 CDCDRO OCCCN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000824583234 684599701 /nfs/dbraw/zinc/59/97/01/684599701.db2.gz JRILWVNPRYMMRU-AWEZNQCLSA-N 1 0 298.814 1.982 20 10 CDCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816549634 684635908 /nfs/dbraw/zinc/63/59/08/684635908.db2.gz UMGLMBBUSRNOKK-INIZCTEOSA-N 1 0 299.418 1.881 20 10 CDCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877174167 684664274 /nfs/dbraw/zinc/66/42/74/684664274.db2.gz BAUKZUOFTQIULB-LBPRGKRZSA-N 1 0 298.408 1.214 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c(O)c1 ZINC000790936366 684671515 /nfs/dbraw/zinc/67/15/15/684671515.db2.gz FDTKYAGVEXVDOC-CQSZACIVSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H]1C[NH2+]CCN1Cc1cc(Br)ccc1O ZINC000722398635 684707008 /nfs/dbraw/zinc/70/70/08/684707008.db2.gz OVVBREJLVPEBHM-VIFPVBQESA-N 1 0 285.185 1.948 20 10 CDCDRO CCOCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109772287 684748788 /nfs/dbraw/zinc/74/87/88/684748788.db2.gz TYXUVNCFGBRQEJ-ZDUSSCGKSA-N 1 0 294.395 1.755 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000815118325 684787451 /nfs/dbraw/zinc/78/74/51/684787451.db2.gz NBEXYJBSWONQLI-AWEZNQCLSA-N 1 0 275.396 1.840 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)c(O)c1 ZINC000822476278 684788562 /nfs/dbraw/zinc/78/85/62/684788562.db2.gz KXYQMUUPNCMHSB-UHFFFAOYSA-N 1 0 290.367 1.490 20 10 CDCDRO COc1ccc(N2CCN(C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000020072743 684801732 /nfs/dbraw/zinc/80/17/32/684801732.db2.gz BLDGJZDFRLLBTR-CQSZACIVSA-N 1 0 275.396 1.569 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000169104976 684806596 /nfs/dbraw/zinc/80/65/96/684806596.db2.gz WKTIPWXMWZVFHI-OAHLLOKOSA-N 1 0 279.359 1.379 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)c1O ZINC000090023760 684816931 /nfs/dbraw/zinc/81/69/31/684816931.db2.gz UNRWIGMZWINNFG-NSHDSACASA-N 1 0 292.335 1.028 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000179028821 684830506 /nfs/dbraw/zinc/83/05/06/684830506.db2.gz DIWKZVOKZMTEGX-LBPRGKRZSA-N 1 0 257.717 1.287 20 10 CDCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841762717 684832175 /nfs/dbraw/zinc/83/21/75/684832175.db2.gz ZUYDFEJMQBNTMT-SECBINFHSA-N 1 0 268.336 1.038 20 10 CDCDRO C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1c([O-])cccc1F ZINC000886531004 684868411 /nfs/dbraw/zinc/86/84/11/684868411.db2.gz VAVJJMUGVFOLHD-LLVKDONJSA-N 1 0 282.359 1.639 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858143840 684869517 /nfs/dbraw/zinc/86/95/17/684869517.db2.gz YEUYDQGHBRGVQF-NSHDSACASA-N 1 0 288.338 1.518 20 10 CDCDRO CCCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801608 684893042 /nfs/dbraw/zinc/89/30/42/684893042.db2.gz QIOVMOWNQULGAL-UHFFFAOYSA-N 1 0 275.396 1.814 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846170029 684898929 /nfs/dbraw/zinc/89/89/29/684898929.db2.gz UWHQJILLIKPFFI-MPKXVKKWSA-N 1 0 281.352 1.855 20 10 CDCDRO O=C(NCc1ccccc1O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000817996857 684913293 /nfs/dbraw/zinc/91/32/93/684913293.db2.gz NKWJMLQDGSDBFI-GOSISDBHSA-N 1 0 296.370 1.940 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1OC ZINC000783739001 684942442 /nfs/dbraw/zinc/94/24/42/684942442.db2.gz DQSKYJJPXPUWPF-XHDPSFHLSA-N 1 0 279.336 1.224 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)CC)c1O ZINC000848896291 684953527 /nfs/dbraw/zinc/95/35/27/684953527.db2.gz XKYDVHPWPNPOIN-NSHDSACASA-N 1 0 285.409 1.867 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[S@](C)=O ZINC000840938761 684986999 /nfs/dbraw/zinc/98/69/99/684986999.db2.gz GSLKAGLXTZSSIP-SGTLLEGYSA-N 1 0 268.426 1.918 20 10 CDCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000884204820 685011759 /nfs/dbraw/zinc/01/17/59/685011759.db2.gz FYEUDFDIUMYXEM-CQSZACIVSA-N 1 0 291.395 1.049 20 10 CDCDRO C[C@@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000879649625 685098177 /nfs/dbraw/zinc/09/81/77/685098177.db2.gz ZNMHAYLKFDOOPH-NEPJUHHUSA-N 1 0 283.393 1.868 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000827914018 685100458 /nfs/dbraw/zinc/10/04/58/685100458.db2.gz VOWKITAREPJZOG-DOMZBBRYSA-N 1 0 287.407 1.683 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(O)c1 ZINC000877547977 685200475 /nfs/dbraw/zinc/20/04/75/685200475.db2.gz BMOUEEBPNXFPBN-CYBMUJFWSA-N 1 0 297.420 1.957 20 10 CDCDRO CN(C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000776428398 685229508 /nfs/dbraw/zinc/22/95/08/685229508.db2.gz YQXSZKKWZWMUNK-UHFFFAOYSA-N 1 0 295.346 1.896 20 10 CDCDRO C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC000841857984 685678110 /nfs/dbraw/zinc/67/81/10/685678110.db2.gz XMKUIMGQSTUBFJ-WCQYABFASA-N 1 0 261.369 1.255 20 10 CDCDRO C[NH2+]C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000843349030 685683898 /nfs/dbraw/zinc/68/38/98/685683898.db2.gz DJMCZOSLHSHXKP-NSHDSACASA-N 1 0 280.343 1.775 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877120738 685710892 /nfs/dbraw/zinc/71/08/92/685710892.db2.gz UPTYAZKEIBYAMV-CHWSQXEVSA-N 1 0 262.353 1.705 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886257494 685795403 /nfs/dbraw/zinc/79/54/03/685795403.db2.gz BLOCBSULSFVMOW-RBVVOMGSSA-N 1 0 278.396 1.507 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000857329843 685837778 /nfs/dbraw/zinc/83/77/78/685837778.db2.gz WWGUNAYRKSURAB-SECBINFHSA-N 1 0 282.315 1.451 20 10 CDCDRO COc1ccc(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c(O)c1 ZINC000818000055 685842548 /nfs/dbraw/zinc/84/25/48/685842548.db2.gz DURAFLFDANLFGS-QMTHXVAHSA-N 1 0 280.368 1.636 20 10 CDCDRO CC[NH+](CC)CC(=O)N[C@H](C)c1ccccc1O ZINC000827930597 685852720 /nfs/dbraw/zinc/85/27/20/685852720.db2.gz MBPOURNPJVVCAE-LLVKDONJSA-N 1 0 250.342 1.911 20 10 CDCDRO Cc1ccc(C(=O)NCC[N@@H+](C)C2CC2)c(O)c1O ZINC000780907670 685870668 /nfs/dbraw/zinc/87/06/68/685870668.db2.gz VOWAPRHBJQEIKD-UHFFFAOYSA-N 1 0 264.325 1.230 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000841709411 685875597 /nfs/dbraw/zinc/87/55/97/685875597.db2.gz FNHJNHIVORKPDP-CQSZACIVSA-N 1 0 288.395 1.448 20 10 CDCDRO CC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182440777 685891274 /nfs/dbraw/zinc/89/12/74/685891274.db2.gz GJFAKBVFOHYIBA-AWEZNQCLSA-N 1 0 269.341 1.660 20 10 CDCDRO COc1ccc(O)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086467091 685894695 /nfs/dbraw/zinc/89/46/95/685894695.db2.gz FDBYPWYZWMKETG-QWRGUYRKSA-N 1 0 250.342 1.583 20 10 CDCDRO CSC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941926 685920503 /nfs/dbraw/zinc/92/05/03/685920503.db2.gz UIVPZZZVTJWLPT-CYBMUJFWSA-N 1 0 254.399 1.566 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(N)cc2)C1 ZINC000843490984 685970250 /nfs/dbraw/zinc/97/02/50/685970250.db2.gz PGOZQDRVRFMKJZ-HOCLYGCPSA-N 1 0 287.407 1.754 20 10 CDCDRO CN(C(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccc(N)cc1 ZINC000877074431 685975413 /nfs/dbraw/zinc/97/54/13/685975413.db2.gz KHNSPTHLGYDHNJ-HIFRSBDPSA-N 1 0 259.353 1.621 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000848918198 686021575 /nfs/dbraw/zinc/02/15/75/686021575.db2.gz SAEDCIZEZWRWOP-UONOGXRCSA-N 1 0 265.353 1.130 20 10 CDCDRO CCn1cnnc1CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846152035 686167824 /nfs/dbraw/zinc/16/78/24/686167824.db2.gz MBKAFIKOIPKQAZ-LLVKDONJSA-N 1 0 290.367 1.906 20 10 CDCDRO NC(=O)N[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816521519 686340059 /nfs/dbraw/zinc/34/00/59/686340059.db2.gz RIPZNMNXTUGWNY-ZDUSSCGKSA-N 1 0 285.347 1.788 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000877489940 686344103 /nfs/dbraw/zinc/34/41/03/686344103.db2.gz RCOSPYBTVVEHNL-RISCZKNCSA-N 1 0 251.326 1.330 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167945 686383333 /nfs/dbraw/zinc/38/33/33/686383333.db2.gz PHLVZUCJTMLWSQ-QWRGUYRKSA-N 1 0 269.341 1.449 20 10 CDCDRO CC(=O)NC[C@@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC000876742486 686402554 /nfs/dbraw/zinc/40/25/54/686402554.db2.gz PWDGDWWCYFEMCM-CQSZACIVSA-N 1 0 278.352 1.038 20 10 CDCDRO CN1CC[C@@](O)(C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000705720938 686433391 /nfs/dbraw/zinc/43/33/91/686433391.db2.gz ZEPNVOWINIKEHR-IUODEOHRSA-N 1 0 262.353 1.036 20 10 CDCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000832497489 686476688 /nfs/dbraw/zinc/47/66/88/686476688.db2.gz HBYOOVNWZROXMC-YPMHNXCESA-N 1 0 261.369 1.316 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CCC[NH3+])c1 ZINC000828667532 686483648 /nfs/dbraw/zinc/48/36/48/686483648.db2.gz SATFOWJXEKUDDB-VIFPVBQESA-N 1 0 252.314 1.317 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCSC[C@H]2CO)c(O)c1 ZINC000877779947 686528128 /nfs/dbraw/zinc/52/81/28/686528128.db2.gz INNKRUAAAUPQDX-GFCCVEGCSA-N 1 0 253.367 1.610 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(OC)CCOC2)c1O ZINC000846165583 686700932 /nfs/dbraw/zinc/70/09/32/686700932.db2.gz PCCQYPZLFFDQRD-NHYWBVRUSA-N 1 0 281.352 1.857 20 10 CDCDRO Oc1cccc(Br)c1C[NH2+][C@@H]1COC[C@H]1O ZINC000706805280 686793082 /nfs/dbraw/zinc/79/30/82/686793082.db2.gz XHFYGOHMBIUECW-MWLCHTKSSA-N 1 0 288.141 1.004 20 10 CDCDRO C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000841653931 686806227 /nfs/dbraw/zinc/80/62/27/686806227.db2.gz KTBKPURTTPCXBV-STQMWFEESA-N 1 0 290.411 1.644 20 10 CDCDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000181330416 686846700 /nfs/dbraw/zinc/84/67/00/686846700.db2.gz UVEFAHXWJRQWCS-UHFFFAOYSA-N 1 0 267.325 1.832 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1COCC[NH2+]1 ZINC000285654448 686858246 /nfs/dbraw/zinc/85/82/46/686858246.db2.gz IGVWJWHWIKXARJ-AWEZNQCLSA-N 1 0 292.379 1.509 20 10 CDCDRO OCC1([NH2+]Cc2cc(Cl)ccc2O)CCOCC1 ZINC000227214279 686909452 /nfs/dbraw/zinc/90/94/52/686909452.db2.gz COZPKZZREIQBEX-UHFFFAOYSA-N 1 0 271.744 1.677 20 10 CDCDRO CN(C(=O)C[C@H]1CSCC[NH2+]1)c1ccc(N)cc1 ZINC000877077775 687008150 /nfs/dbraw/zinc/00/81/50/687008150.db2.gz UHQBQZPIPYKXTG-NSHDSACASA-N 1 0 265.382 1.327 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000927144358 687042500 /nfs/dbraw/zinc/04/25/00/687042500.db2.gz KMZMCAVYXPGONC-DCAQKATOSA-N 1 0 251.326 1.822 20 10 CDCDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]2CCCCN12 ZINC000835072300 687044895 /nfs/dbraw/zinc/04/48/95/687044895.db2.gz FLBZHHUHDFBIOY-GJZGRUSLSA-N 1 0 286.375 1.865 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1C ZINC000858298048 687046673 /nfs/dbraw/zinc/04/66/73/687046673.db2.gz JBSSPKFSLXUMDH-CQSZACIVSA-N 1 0 264.369 1.160 20 10 CDCDRO COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2CCCC[NH2+]2)c1 ZINC000817949687 687061281 /nfs/dbraw/zinc/06/12/81/687061281.db2.gz MIWYUKGWTWESNZ-DGCLKSJQSA-N 1 0 292.379 1.972 20 10 CDCDRO O=C(C[NH2+]Cc1c([O-])ccc(Cl)c1F)NC1CC1 ZINC000790949202 687067547 /nfs/dbraw/zinc/06/75/47/687067547.db2.gz DZXCHPQLQKWYBU-UHFFFAOYSA-N 1 0 272.707 1.553 20 10 CDCDRO O[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858301457 687070762 /nfs/dbraw/zinc/07/07/62/687070762.db2.gz YGTLNCNIFKMMJK-IAGOWNOFSA-N 1 0 290.407 1.916 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](CO)C2CC2)cc1OC ZINC000776176643 687107165 /nfs/dbraw/zinc/10/71/65/687107165.db2.gz ALHUOUPGDGOPCV-NSHDSACASA-N 1 0 267.325 1.270 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)c1 ZINC000884309988 687148793 /nfs/dbraw/zinc/14/87/93/687148793.db2.gz LMSSOIXJSWMNHM-RNCFNFMXSA-N 1 0 278.352 1.705 20 10 CDCDRO COc1ccc(C[NH2+]C2(C(N)=O)CCCC2)cc1C ZINC000930001568 687192613 /nfs/dbraw/zinc/19/26/13/687192613.db2.gz VGMJJCDVNRALSC-UHFFFAOYSA-N 1 0 262.353 1.891 20 10 CDCDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886245029 687276811 /nfs/dbraw/zinc/27/68/11/687276811.db2.gz IGFCQSMMEYUTRH-MBTASHSMSA-N 1 0 275.707 1.159 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@@H]([NH3+])C2)cc1OC ZINC000843044281 687277773 /nfs/dbraw/zinc/27/77/73/687277773.db2.gz ZXUXBKBDFZICBB-LLVKDONJSA-N 1 0 266.341 1.333 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)c1O ZINC000846144510 687293632 /nfs/dbraw/zinc/29/36/32/687293632.db2.gz HIZQNLPZXRXDHC-IINYFYTJSA-N 1 0 283.393 1.919 20 10 CDCDRO C[NH2+]C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843052929 687304451 /nfs/dbraw/zinc/30/44/51/687304451.db2.gz PCJILNSGNGNINW-JTQLQIEISA-N 1 0 264.325 1.162 20 10 CDCDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(N)cc1 ZINC000841301087 687311802 /nfs/dbraw/zinc/31/18/02/687311802.db2.gz ZPNJCTKROIAVNM-CQSZACIVSA-N 1 0 294.399 1.747 20 10 CDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000816637266 687358697 /nfs/dbraw/zinc/35/86/97/687358697.db2.gz YIUHKLDPBHHFEQ-MRXNPFEDSA-N 1 0 276.380 1.744 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000841984859 687390541 /nfs/dbraw/zinc/39/05/41/687390541.db2.gz INCKXBBRGZLEIX-UHFFFAOYSA-N 1 0 289.379 1.843 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000815121902 687557068 /nfs/dbraw/zinc/55/70/68/687557068.db2.gz ZPLOJNNICUJZBA-ZSHCYNCHSA-N 1 0 260.381 1.813 20 10 CDCDRO O=C(C[NH2+]C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000178924814 687642118 /nfs/dbraw/zinc/64/21/18/687642118.db2.gz ZLBFAXFAPNMBTN-UHFFFAOYSA-N 1 0 273.380 1.655 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000702566579 687651457 /nfs/dbraw/zinc/65/14/57/687651457.db2.gz JWVHRPAEGDBOGW-BBRMVZONSA-N 1 0 277.412 1.470 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000840958856 687682357 /nfs/dbraw/zinc/68/23/57/687682357.db2.gz VLOCVPSRDYYRIJ-CYBMUJFWSA-N 1 0 292.379 1.701 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC000863873494 687694502 /nfs/dbraw/zinc/69/45/02/687694502.db2.gz GRSMCQUZSOKVCP-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886558823 687816928 /nfs/dbraw/zinc/81/69/28/687816928.db2.gz STYODXOFNABPRB-ZJUUUORDSA-N 1 0 257.305 1.579 20 10 CDCDRO CCN1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CC1=O ZINC000391524133 687832715 /nfs/dbraw/zinc/83/27/15/687832715.db2.gz DYCAOOZNDJALBJ-GXSJLCMTSA-N 1 0 266.316 1.803 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000840913173 687885581 /nfs/dbraw/zinc/88/55/81/687885581.db2.gz STOARYONUNXARU-MRXNPFEDSA-N 1 0 287.407 1.868 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2cncn2)c1 ZINC000394320050 687886631 /nfs/dbraw/zinc/88/66/31/687886631.db2.gz CSNAPIBNGNBYMB-JTQLQIEISA-N 1 0 262.313 1.343 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000790757965 687893330 /nfs/dbraw/zinc/89/33/30/687893330.db2.gz ALORFRWRJKTBKX-KGLIPLIRSA-N 1 0 297.395 1.765 20 10 CDCDRO CCC[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955587 687895923 /nfs/dbraw/zinc/89/59/23/687895923.db2.gz HMCJZQXEOGNFNW-HNNXBMFYSA-N 1 0 290.411 1.595 20 10 CDCDRO OC/C=C/C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000717479122 687971187 /nfs/dbraw/zinc/97/11/87/687971187.db2.gz TYBRAIGXNHQJPR-OWOJBTEDSA-N 1 0 262.353 1.161 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(CCO)C(C)(C)C2)c1 ZINC000783713478 687983414 /nfs/dbraw/zinc/98/34/14/687983414.db2.gz CIYOMJFYRUVGGG-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000792727405 688051747 /nfs/dbraw/zinc/05/17/47/688051747.db2.gz OLHVANHNWWUIDZ-HZMBPMFUSA-N 1 0 293.363 1.817 20 10 CDCDRO Cc1cc(Br)c(O)c(CN(C)C2C[NH2+]C2)c1 ZINC000843124949 688089343 /nfs/dbraw/zinc/08/93/43/688089343.db2.gz QZPWIHLZOXDVJG-UHFFFAOYSA-N 1 0 285.185 1.867 20 10 CDCDRO CCC[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000126318049 688117240 /nfs/dbraw/zinc/11/72/40/688117240.db2.gz JJWSVJCGBDVARX-UHFFFAOYSA-N 1 0 278.352 1.702 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000877118661 688141463 /nfs/dbraw/zinc/14/14/63/688141463.db2.gz JJTQYEDVSWBRGJ-GFCCVEGCSA-N 1 0 298.408 1.072 20 10 CDCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC[C@H]1CCCO1 ZINC000879649787 688148534 /nfs/dbraw/zinc/14/85/34/688148534.db2.gz USTVUZOWVOLHDV-JHJVBQTASA-N 1 0 292.379 1.727 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001170504125 1162667011 /nfs/dbraw/zinc/66/70/11/1162667011.db2.gz AKMUKSLWMKQURT-UHIISALHSA-N 1 0 295.335 1.063 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000228414094 1165599228 /nfs/dbraw/zinc/59/92/28/1165599228.db2.gz WFHKCMIFTCXHKX-ZDUSSCGKSA-N 1 0 277.320 1.653 20 10 CDCDRO Cn1cc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(N)cc2)cn1 ZINC001579969441 1172311497 /nfs/dbraw/zinc/31/14/97/1172311497.db2.gz KIJPNOQBLIZCSG-SWLSCSKDSA-N 1 0 256.353 1.896 20 10 CDCDRO O=C(CC1CC[NH2+]CC1)NCc1c(O)cccc1O ZINC001580511418 1172458445 /nfs/dbraw/zinc/45/84/45/1172458445.db2.gz SJEAWBJEFWPTPR-UHFFFAOYSA-N 1 0 264.325 1.104 20 10 CDCDRO CCN(C(=O)c1cccc(O)c1O)[C@@H]1CCC[NH2+]C1 ZINC000126098841 1175432914 /nfs/dbraw/zinc/43/29/14/1175432914.db2.gz FJWJLJUZSUESKM-SNVBAGLBSA-N 1 0 264.325 1.312 20 10 CDCDRO COc1ccc(CN2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC000130685592 1175761745 /nfs/dbraw/zinc/76/17/45/1175761745.db2.gz JDEWTYVDSDQNHY-UHFFFAOYSA-N 1 0 276.380 1.928 20 10 CDCDRO COCCCOCC[N@H+](C)Cc1ccc(N)cc1 ZINC000232221011 1178187356 /nfs/dbraw/zinc/18/73/56/1178187356.db2.gz YNLZMWHXZVFXLZ-UHFFFAOYSA-N 1 0 252.358 1.754 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1O ZINC000877525928 1166052224 /nfs/dbraw/zinc/05/22/24/1166052224.db2.gz MXZFAMNCCOFFTG-YPMHNXCESA-N 1 0 292.379 1.938 20 10 CDCDRO CC[N@@H+]1CC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173357342 912470061 /nfs/dbraw/zinc/47/00/61/912470061.db2.gz OQTUWAUKKLULBX-MRXNPFEDSA-N 1 0 289.423 1.911 20 10 CDCDRO CN(C)S(=O)(=O)c1ccc(Nc2cc[nH+]cc2)c(O)c1 ZINC001173883083 912891700 /nfs/dbraw/zinc/89/17/00/912891700.db2.gz GBRJJBITFQRDKW-UHFFFAOYSA-N 1 0 293.348 1.203 20 10 CDCDRO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2O)C1=O ZINC000690258130 913876240 /nfs/dbraw/zinc/87/62/40/913876240.db2.gz IZJAFWPIFBJEDA-NSHDSACASA-N 1 0 268.744 1.708 20 10 CDCDRO C[NH+](C)CC(C)(C)NC(=O)c1cccc(O)c1O ZINC000308698282 896348756 /nfs/dbraw/zinc/34/87/56/896348756.db2.gz OYRRLEFMHLZXRU-UHFFFAOYSA-N 1 0 252.314 1.168 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(O)c(C)c2O)C[C@H]1C ZINC001140747670 898169476 /nfs/dbraw/zinc/16/94/76/898169476.db2.gz HZZWTVREAHPZOW-SNVBAGLBSA-N 1 0 278.352 1.459 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236027899 914587036 /nfs/dbraw/zinc/58/70/36/914587036.db2.gz PGOAWKNYDYNHDG-ZANVPECISA-N 1 0 268.744 1.587 20 10 CDCDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841653196 907744621 /nfs/dbraw/zinc/74/46/21/907744621.db2.gz HXGGFNQTDRCDGA-CQSZACIVSA-N 1 0 290.411 1.646 20 10 CDCDRO CCN1CC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC1=O ZINC001172028364 911144339 /nfs/dbraw/zinc/14/43/39/911144339.db2.gz HWMNLMKQSMNGNT-GFCCVEGCSA-N 1 0 278.352 1.241 20 10 CDCDRO CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CO1 ZINC001172266216 911484671 /nfs/dbraw/zinc/48/46/71/911484671.db2.gz HYTPKGZNOMCXCG-GWCFXTLKSA-N 1 0 267.325 1.288 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1O ZINC001231591279 911786945 /nfs/dbraw/zinc/78/69/45/911786945.db2.gz YYEPAQRVORYOMI-YPMHNXCESA-N 1 0 253.317 1.853 20 10 CDCDRO C[C@@H](C(=O)N1CCc2cccc(O)c2C1)[NH+]1CCCC1 ZINC001180578735 916439386 /nfs/dbraw/zinc/43/93/86/916439386.db2.gz JQNNCZHCEBGNML-LBPRGKRZSA-N 1 0 274.364 1.761 20 10 CDCDRO COC(=O)C1(C)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275366 916509991 /nfs/dbraw/zinc/50/99/91/916509991.db2.gz PLMCUVAYQLULMA-UHFFFAOYSA-N 1 0 279.336 1.873 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@](F)(CO)C3)ccc21 ZINC001138354786 936524996 /nfs/dbraw/zinc/52/49/96/936524996.db2.gz UVNXMVSJENKDGH-MRXNPFEDSA-N 1 0 278.371 1.975 20 10 CDCDRO Cc1cccc(C[N@@H+](C)C2(CO)CCOCC2)c1O ZINC000827909367 936613411 /nfs/dbraw/zinc/61/34/11/936613411.db2.gz UUFPEYUVTZLWJV-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO O=C1CC[N@H+](Cc2ccc(Cl)cc2O)CCN1 ZINC001140461390 936712302 /nfs/dbraw/zinc/71/23/02/936712302.db2.gz KOKSZSCKEMMMHG-UHFFFAOYSA-N 1 0 254.717 1.368 20 10 CDCDRO Cc1ccc(O)c(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c1 ZINC001140622755 936732144 /nfs/dbraw/zinc/73/21/44/936732144.db2.gz FVZHQYYBCLGHHP-AWEZNQCLSA-N 1 0 276.380 1.606 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140661647 936736772 /nfs/dbraw/zinc/73/67/72/936736772.db2.gz MWTVGRRIKYCDFZ-CYBMUJFWSA-N 1 0 294.370 1.477 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](C)(CO)C2)c1O ZINC001140742552 936747857 /nfs/dbraw/zinc/74/78/57/936747857.db2.gz RRGUKDHAUSHFTK-AWEZNQCLSA-N 1 0 251.326 1.611 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC001140742214 936748231 /nfs/dbraw/zinc/74/82/31/936748231.db2.gz KKFJFQUKWKXDLG-ZDUSSCGKSA-N 1 0 255.289 1.313 20 10 CDCDRO COC(=O)C1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744037 936748549 /nfs/dbraw/zinc/74/85/49/936748549.db2.gz IVOFSVGKRBNJQR-UHFFFAOYSA-N 1 0 251.282 1.011 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCc3ncn(C)c3C2)c(O)c1 ZINC001140954300 936783761 /nfs/dbraw/zinc/78/37/61/936783761.db2.gz PCYVWZZSORBSRE-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(OC)c1 ZINC001141031948 936795493 /nfs/dbraw/zinc/79/54/93/936795493.db2.gz OBYZMKNQGNUMNF-QMTHXVAHSA-N 1 0 281.352 1.612 20 10 CDCDRO CCC(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141158976 936822542 /nfs/dbraw/zinc/82/25/42/936822542.db2.gz UHAZLQMPXPONHX-UHFFFAOYSA-N 1 0 278.352 1.588 20 10 CDCDRO C[N@H+](Cc1cc(O)ccc1O)[C@H]1CC[C@H](O)CC1 ZINC001141156594 936821511 /nfs/dbraw/zinc/82/15/11/936821511.db2.gz OENSLQORZWJKNZ-HAQNSBGRSA-N 1 0 251.326 1.833 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159677 936822002 /nfs/dbraw/zinc/82/20/02/936822002.db2.gz JHPDOFRFCUJZOL-CMPLNLGQSA-N 1 0 279.336 1.729 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCCOCC3)ccc21 ZINC001141141133 936818747 /nfs/dbraw/zinc/81/87/47/936818747.db2.gz UKFGNOXISGGNAP-UHFFFAOYSA-N 1 0 262.353 1.738 20 10 CDCDRO COC(=O)CC[C@@H]1COCCN1Cc1cc(O)ccc1O ZINC001141163206 936823602 /nfs/dbraw/zinc/82/36/02/936823602.db2.gz UWTCZXLOJCFOLF-GFCCVEGCSA-N 1 0 295.335 1.252 20 10 CDCDRO O=C1CCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)N1 ZINC001141162874 936823831 /nfs/dbraw/zinc/82/38/31/936823831.db2.gz IPXBWWGKUXQJAM-UHFFFAOYSA-N 1 0 276.336 1.342 20 10 CDCDRO CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001169559173 928173631 /nfs/dbraw/zinc/17/36/31/928173631.db2.gz DIQPGKTYFPEHOC-INIZCTEOSA-N 1 0 275.396 1.805 20 10 CDCDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1O ZINC000692804072 937234194 /nfs/dbraw/zinc/23/41/94/937234194.db2.gz UULYNDBLUUICDR-NSHDSACASA-N 1 0 271.382 1.868 20 10 CDCDRO CN(c1ccc([C@H]2CCC(=O)N2)cc1)C(C)(C)C[NH3+] ZINC001170060571 929253832 /nfs/dbraw/zinc/25/38/32/929253832.db2.gz RQOPIMHVRSEHBP-CYBMUJFWSA-N 1 0 261.369 1.811 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883269321 930172423 /nfs/dbraw/zinc/17/24/23/930172423.db2.gz GFQVYFCISXJPQE-ZDUSSCGKSA-N 1 0 291.347 1.935 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000883900149 930316460 /nfs/dbraw/zinc/31/64/60/930316460.db2.gz FMJPSTZQVZMMBF-RYUDHWBXSA-N 1 0 277.368 1.847 20 10 CDCDRO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccccc1O ZINC001116761897 937470379 /nfs/dbraw/zinc/47/03/79/937470379.db2.gz TTZYRGVIURRIID-SNVBAGLBSA-N 1 0 274.324 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939710838 /nfs/dbraw/zinc/71/08/38/939710838.db2.gz XUONMFTZCZCHJX-INIZCTEOSA-N 1 0 290.363 1.733 20 10 CDCDRO O=C1CCCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)N1 ZINC001204273683 939750551 /nfs/dbraw/zinc/75/05/51/939750551.db2.gz FINOAQAVXWLULB-UHFFFAOYSA-N 1 0 290.363 1.733 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204282732 939751845 /nfs/dbraw/zinc/75/18/45/939751845.db2.gz UFIPQUYHQDQFNN-LBPRGKRZSA-N 1 0 264.325 1.198 20 10 CDCDRO CC[N@H+](CCOC)Cc1cc(O)c(O)c(OC)c1 ZINC001204340486 939756421 /nfs/dbraw/zinc/75/64/21/939756421.db2.gz SZBTXZRYWBLIIR-UHFFFAOYSA-N 1 0 255.314 1.575 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)cc(O)c1O ZINC001204341765 939757188 /nfs/dbraw/zinc/75/71/88/939757188.db2.gz GDIHGNXFLZJUSM-PWSUYJOCSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)cc(O)c1O ZINC001205177562 939832827 /nfs/dbraw/zinc/83/28/27/939832827.db2.gz VLANXELBUZAGMB-PSASIEDQSA-N 1 0 252.314 1.028 20 10 CDCDRO COc1ccc(CN2C[C@H](C)CC[C@@H]2C[NH3+])c(O)c1 ZINC001205807391 939939023 /nfs/dbraw/zinc/93/90/23/939939023.db2.gz ZZNNRFKIIXBOKP-DGCLKSJQSA-N 1 0 264.369 1.960 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cc(F)c(F)cc2O)CC[C@H]1F ZINC001206182630 939993393 /nfs/dbraw/zinc/99/33/93/939993393.db2.gz CKQGAECQPUXIJK-SKDRFNHKSA-N 1 0 274.286 1.932 20 10 CDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc(Cl)cc2O)C1 ZINC001206423177 940036622 /nfs/dbraw/zinc/03/66/22/940036622.db2.gz KBMSQFBHFXMVJV-WDEREUQCSA-N 1 0 258.724 1.917 20 10 CDCDRO CC1(C[NH3+])CN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001206737235 940083620 /nfs/dbraw/zinc/08/36/20/940083620.db2.gz OCWSXROJYRFFAK-UHFFFAOYSA-N 1 0 258.724 1.965 20 10 CDCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC000311827440 941336115 /nfs/dbraw/zinc/33/61/15/941336115.db2.gz ONJAXYFDBRFBJH-YPMHNXCESA-N 1 0 264.344 1.915 20 10 CDCDRO [NH3+]Cc1cccc(C(=O)NCc2ccccc2O)c1 ZINC001219923616 941397106 /nfs/dbraw/zinc/39/71/06/941397106.db2.gz UHXKZNYUNCWMGV-UHFFFAOYSA-N 1 0 256.305 1.781 20 10 CDCDRO O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H]1CC[NH2+]1 ZINC001220212281 941423830 /nfs/dbraw/zinc/42/38/30/941423830.db2.gz CLDZZBLSTIYWPR-NSHDSACASA-N 1 0 291.738 1.572 20 10 CDCDRO COc1ccc(N2CCN(c3cc[nH+]c(CO)c3)CC2)cc1 ZINC000316176823 941475270 /nfs/dbraw/zinc/47/52/70/941475270.db2.gz VEVRQZRYFKMHJL-UHFFFAOYSA-N 1 0 299.374 1.909 20 10 CDCDRO [NH3+]CC1(F)CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001222548249 941612943 /nfs/dbraw/zinc/61/29/43/941612943.db2.gz CTILJFTZPJYWFZ-UHFFFAOYSA-N 1 0 274.286 1.933 20 10 CDCDRO Oc1ccc(O)c(CN2CC[NH2+]C[C@]3(CCCCN3)C2)c1 ZINC001222679738 941624915 /nfs/dbraw/zinc/62/49/15/941624915.db2.gz AMYZBXSVLSIFFY-MRXNPFEDSA-N 1 0 291.395 1.015 20 10 CDCDRO COc1cc(CN2CCC([NH+](C)C)CC2)c(O)cc1O ZINC001231635022 942951424 /nfs/dbraw/zinc/95/14/24/942951424.db2.gz UEYSXPLXVQGUJC-UHFFFAOYSA-N 1 0 280.368 1.632 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001231842445 943027073 /nfs/dbraw/zinc/02/70/73/943027073.db2.gz MALDYDQPBOIASB-JKSUJKDBSA-N 1 0 279.380 1.574 20 10 CDCDRO COC(=O)CC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014556 943463663 /nfs/dbraw/zinc/46/36/63/943463663.db2.gz VBYRNGBVVXYTBL-UHFFFAOYSA-N 1 0 295.335 1.579 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001233483042 943590833 /nfs/dbraw/zinc/59/08/33/943590833.db2.gz LYZGOQAJTWWJEU-XYPYZODXSA-N 1 0 267.325 1.539 20 10 CDCDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485839 943593730 /nfs/dbraw/zinc/59/37/30/943593730.db2.gz MWAZDKMSPSJCEG-JTQLQIEISA-N 1 0 295.335 1.579 20 10 CDCDRO CN(Cc1cncs1)Cc1cc(O)c(O)cc1O ZINC001233487343 943595076 /nfs/dbraw/zinc/59/50/76/943595076.db2.gz ZREKVJSIXQAAAJ-UHFFFAOYSA-N 1 0 266.322 1.892 20 10 CDCDRO CC[NH+]1C[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233487843 943595100 /nfs/dbraw/zinc/59/51/00/943595100.db2.gz UTUZXWCOJUDUFT-RYUDHWBXSA-N 1 0 278.352 1.187 20 10 CDCDRO Oc1cc(CN2CCCC[C@]23CC[NH2+]C3)cc(O)c1O ZINC001235115574 944058221 /nfs/dbraw/zinc/05/82/21/944058221.db2.gz BXSLOAFDWSXARG-OAHLLOKOSA-N 1 0 278.352 1.521 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1c(O)ccc(F)c1F)C2 ZINC001235175189 944080777 /nfs/dbraw/zinc/08/07/77/944080777.db2.gz YMMLYQKKHYNBJY-ISVAXAHUSA-N 1 0 254.280 1.594 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001236024798 944380673 /nfs/dbraw/zinc/38/06/73/944380673.db2.gz JIIVECYZKZUHJR-UFBFGSQYSA-N 1 0 288.269 1.824 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001236168206 944419180 /nfs/dbraw/zinc/41/91/80/944419180.db2.gz GODCJHUIROAFGM-AWEZNQCLSA-N 1 0 287.407 1.624 20 10 CDCDRO COC(=O)c1c(CN2CC[C@H]([NH3+])C2)c2ccccc2n1C ZINC001236174588 944423183 /nfs/dbraw/zinc/42/31/83/944423183.db2.gz XEFJHIVPGZKHNJ-NSHDSACASA-N 1 0 287.363 1.498 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CC[C@H]3C2)cc1OC ZINC001236751106 944557872 /nfs/dbraw/zinc/55/78/72/944557872.db2.gz CDOOXHLHYFPUFX-LBPRGKRZSA-N 1 0 278.352 1.299 20 10 CDCDRO COc1cc(O)c(C[N@@H+](C)CC(OC)OC)cc1OC ZINC001236751777 944558177 /nfs/dbraw/zinc/55/81/77/944558177.db2.gz JGEGIXJPAACMRZ-UHFFFAOYSA-N 1 0 285.340 1.460 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@H]2C)cc1OC ZINC001236751844 944558339 /nfs/dbraw/zinc/55/83/39/944558339.db2.gz KLPAVGQDZNGDHA-PWSUYJOCSA-N 1 0 281.352 1.755 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(O)c1 ZINC001236784633 944566823 /nfs/dbraw/zinc/56/68/23/944566823.db2.gz XLCFOVOEZNGZDJ-ZFWWWQNUSA-N 1 0 265.353 1.130 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC001236807282 944572670 /nfs/dbraw/zinc/57/26/70/944572670.db2.gz FOPHTMORBYMXMO-NSHDSACASA-N 1 0 251.326 1.666 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1O ZINC001236828002 944584919 /nfs/dbraw/zinc/58/49/19/944584919.db2.gz YWJJHNRUSCZRLH-ZBFHGGJFSA-N 1 0 273.332 1.330 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001237049533 944646225 /nfs/dbraw/zinc/64/62/25/944646225.db2.gz HKPKMNZZSWOEBD-HOTGVXAUSA-N 1 0 295.379 1.356 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC001237050116 944647596 /nfs/dbraw/zinc/64/75/96/944647596.db2.gz PQJXWVYAICMSIC-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO Oc1ccc(O)c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237403088 944757175 /nfs/dbraw/zinc/75/71/75/944757175.db2.gz JVFNOCHJKKIPGY-FZMZJTMJSA-N 1 0 262.353 1.672 20 10 CDCDRO Cc1cccc(O)c1CN1CC(F)(F)C[C@H]1CO ZINC001237482732 944810145 /nfs/dbraw/zinc/81/01/45/944810145.db2.gz ONLDLMPLYDCJBL-JTQLQIEISA-N 1 0 257.280 1.903 20 10 CDCDRO COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(O)c(OC)c1 ZINC001237679437 944923672 /nfs/dbraw/zinc/92/36/72/944923672.db2.gz VCOFCWPJCQYRQN-SMDDNHRTSA-N 1 0 292.379 1.545 20 10 CDCDRO C[NH+]1CCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237946420 945010015 /nfs/dbraw/zinc/01/00/15/945010015.db2.gz LZAVZNPJOOPNJO-UHFFFAOYSA-N 1 0 258.724 1.932 20 10 CDCDRO Cn1c2cc(-c3cncc(C[NH3+])c3)ccc2ncc1=O ZINC001239798712 945589098 /nfs/dbraw/zinc/58/90/98/945589098.db2.gz IGDDUAFEPQMYBF-UHFFFAOYSA-N 1 0 266.304 1.454 20 10 CDCDRO COCCn1ccc(-c2cncc(C[NH3+])c2)cc1=O ZINC001239806716 945592781 /nfs/dbraw/zinc/59/27/81/945592781.db2.gz JAHHAHDAQCDATA-UHFFFAOYSA-N 1 0 259.309 1.015 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001261892444 946325142 /nfs/dbraw/zinc/32/51/42/946325142.db2.gz KWRUPLWIBBBTLT-DETPVDSQSA-N 1 0 286.375 1.495 20 10 CDCDRO Oc1ccc(C[NH2+][C@H]2CC3CCN(CC3)C2)cc1O ZINC001254847059 947624010 /nfs/dbraw/zinc/62/40/10/947624010.db2.gz CLMOETYYCUBGAE-ZDUSSCGKSA-N 1 0 262.353 1.672 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+]C2CCN(C3CC3)CC2)cc1O ZINC001256065892 948191669 /nfs/dbraw/zinc/19/16/69/948191669.db2.gz IHLPFTCKKYMTAC-INIZCTEOSA-N 1 0 292.379 1.348 20 10 CDCDRO COC(=O)CC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258357076 948780466 /nfs/dbraw/zinc/78/04/66/948780466.db2.gz ZFDVDRZAHZBVBR-SNVBAGLBSA-N 1 0 267.325 1.572 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001249177655 949442760 /nfs/dbraw/zinc/44/27/60/949442760.db2.gz HWNUJGOFZRAWCY-IHRRRGAJSA-N 1 0 293.338 1.898 20 10 CDCDRO CN(C)c1ccc(CN(C)C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253396221 951879456 /nfs/dbraw/zinc/87/94/56/951879456.db2.gz WIMMNIKXWAZDLZ-MRXNPFEDSA-N 1 0 293.455 1.933 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253472075 951923899 /nfs/dbraw/zinc/92/38/99/951923899.db2.gz PLATTXCTMOOEGA-NSHDSACASA-N 1 0 299.367 1.112 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H](O)C(=O)OC(C)(C)C)c1O ZINC001253705802 952049562 /nfs/dbraw/zinc/04/95/62/952049562.db2.gz DTHXKGZXSCLMDB-GFCCVEGCSA-N 1 0 281.352 1.493 20 10 CDCDRO [NH3+]CCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001325312397 953831243 /nfs/dbraw/zinc/83/12/43/953831243.db2.gz YABOBKKKEOUIRY-UHFFFAOYSA-N 1 0 288.395 1.601 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@H]2CCN(C)[C@H]2C)c(O)c1 ZINC001308945764 956602732 /nfs/dbraw/zinc/60/27/32/956602732.db2.gz GFWOOQCEDVCEPP-FZMZJTMJSA-N 1 0 264.369 1.891 20 10 CDCDRO O=C([O-])C[NH+]1CCC([NH2+]Cc2ccccc2O)CC1 ZINC001332425895 957762497 /nfs/dbraw/zinc/76/24/97/957762497.db2.gz HOQAEITYKIGZCI-UHFFFAOYSA-N 1 0 264.325 1.031 20 10 CDCDRO CC1(C)CNC(=O)CN1Cc1ccc(N2CCCC2)cc1 ZINC001321701958 959912069 /nfs/dbraw/zinc/91/20/69/959912069.db2.gz UIDDAISARLNSTD-UHFFFAOYSA-N 1 0 287.407 1.997 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001335736743 959999569 /nfs/dbraw/zinc/99/95/69/959999569.db2.gz HRKORDGHSDIPFU-JSGCOSHPSA-N 1 0 274.368 1.162 20 10 CDCDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336117502 960209755 /nfs/dbraw/zinc/20/97/55/960209755.db2.gz NZDHHSCHYLCYEI-AWEZNQCLSA-N 1 0 264.369 1.754 20 10 CDCDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001336895349 960716626 /nfs/dbraw/zinc/71/66/26/960716626.db2.gz YNYJXGILURATCA-ZDUSSCGKSA-N 1 0 264.373 1.586 20 10 CDCDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N)cc1 ZINC001345160174 964610464 /nfs/dbraw/zinc/61/04/64/964610464.db2.gz SSJDLUDXNXELSK-UBHSHLNASA-N 1 0 259.353 1.355 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[NH2+]CC(C)C)c1 ZINC001349420285 966344024 /nfs/dbraw/zinc/34/40/24/966344024.db2.gz IEIWVLSKNXATEO-NSHDSACASA-N 1 0 280.368 1.824 20 10 CDCDRO O=C(NCc1cccc(O)c1O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001521852534 970367269 /nfs/dbraw/zinc/36/72/69/970367269.db2.gz WXYGCXZQSRJSOG-STQMWFEESA-N 1 0 290.363 1.731 20 10 CDCDRO CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595222225 980057986 /nfs/dbraw/zinc/05/79/86/980057986.db2.gz CCOLTUJUHJCXTR-WPRPVWTQSA-N 1 0 252.314 1.478 20 10 CDCDRO COCC[C@@H]([NH3+])C(=O)NCc1c(O)ccc2ccccc21 ZINC001573974407 1170847139 /nfs/dbraw/zinc/84/71/39/1170847139.db2.gz GLVQXNOMSANLMQ-CQSZACIVSA-N 1 0 288.347 1.525 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)C[C@@](C)(O)C(=O)OCC ZINC000274590024 365723157 /nfs/dbraw/zinc/72/31/57/365723157.db2.gz JUMSBEUZMFGUNK-MRXNPFEDSA-N 1 0 295.379 1.918 20 10 CDCDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000090885055 342397925 /nfs/dbraw/zinc/39/79/25/342397925.db2.gz OIXYNOPLEQCYEQ-LRDDRELGSA-N 1 0 288.395 1.870 20 10 CDCDRO OCCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180134422 357246247 /nfs/dbraw/zinc/24/62/47/357246247.db2.gz FGQPKFBWNBXCDK-ZDUSSCGKSA-N 1 0 269.316 1.505 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CC(C)(C)O)cc1OC ZINC000180252202 357255089 /nfs/dbraw/zinc/25/50/89/357255089.db2.gz LJHSBPLHMOJSMS-UHFFFAOYSA-N 1 0 269.341 1.612 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000188668960 357924671 /nfs/dbraw/zinc/92/46/71/357924671.db2.gz ZIXVGZYFRSIBGQ-UHFFFAOYSA-N 1 0 265.309 1.444 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(F)ccc1O ZINC000185179750 358777233 /nfs/dbraw/zinc/77/72/33/358777233.db2.gz FVRIRJUWCGBRBI-SSDOTTSWSA-N 1 0 294.248 1.860 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182463738 365128846 /nfs/dbraw/zinc/12/88/46/365128846.db2.gz YCFMUMVDMLPNTN-JTQLQIEISA-N 1 0 266.341 1.530 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000273441224 365496175 /nfs/dbraw/zinc/49/61/75/365496175.db2.gz YJKUEGZEVPUGLN-NXEZZACHSA-N 1 0 267.325 1.458 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1cc2c(cc1O)CCCC2 ZINC000530221017 368150490 /nfs/dbraw/zinc/15/04/90/368150490.db2.gz BUPCVIMVZIYDAK-SWLSCSKDSA-N 1 0 290.407 1.910 20 10 CDCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000122753940 374656130 /nfs/dbraw/zinc/65/61/30/374656130.db2.gz FPOOSGTWBWQBEB-BBATYDOGSA-N 1 0 267.394 1.868 20 10 CDCDRO Nc1ccc(CCNC(=O)CC2CC[NH2+]CC2)cc1 ZINC000238120718 376011046 /nfs/dbraw/zinc/01/10/46/376011046.db2.gz QUZNLNGNKDNKGY-UHFFFAOYSA-N 1 0 261.369 1.317 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccccc1O ZINC000294110511 378626673 /nfs/dbraw/zinc/62/66/73/378626673.db2.gz KAXYYQKDTMCZGB-DYEKYZERSA-N 1 0 265.353 1.973 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1ccc(N(C)C)c(C)c1 ZINC000294245718 378631744 /nfs/dbraw/zinc/63/17/44/378631744.db2.gz UHYFCZUIKNHHQC-UHFFFAOYSA-N 1 0 280.412 1.892 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000296086460 378716562 /nfs/dbraw/zinc/71/65/62/378716562.db2.gz XTEZOOGQUGRLKM-BDODKLCJSA-N 1 0 259.252 1.081 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)C2CC2)c1 ZINC000168734255 390937005 /nfs/dbraw/zinc/93/70/05/390937005.db2.gz QLMJVGYSVJBSNR-JTQLQIEISA-N 1 0 278.352 1.578 20 10 CDCDRO C[NH2+]CCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000375822796 391200302 /nfs/dbraw/zinc/20/03/02/391200302.db2.gz GUQCZTSUGXNBNW-UHFFFAOYSA-N 1 0 291.395 1.343 20 10 CDCDRO COc1ccc(O)c(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000183399675 391263227 /nfs/dbraw/zinc/26/32/27/391263227.db2.gz MZNIWLKLVLVFCO-AWEZNQCLSA-N 1 0 280.368 1.163 20 10 CDCDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc(F)ccc1O ZINC000289550425 391615971 /nfs/dbraw/zinc/61/59/71/391615971.db2.gz IMSLIXNICDAQQZ-DOMZBBRYSA-N 1 0 294.370 1.826 20 10 CDCDRO CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000285276183 391714029 /nfs/dbraw/zinc/71/40/29/391714029.db2.gz ZFVRGDILISWKQV-SECBINFHSA-N 1 0 253.298 1.588 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1ccc(OC)c(C)c1)OC ZINC000227708116 392045173 /nfs/dbraw/zinc/04/51/73/392045173.db2.gz LSOCNADXCUCPAD-CYBMUJFWSA-N 1 0 253.342 1.755 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000035225048 172069782 /nfs/dbraw/zinc/06/97/82/172069782.db2.gz PKLYSWDDNWEOBR-AWEZNQCLSA-N 1 0 261.369 1.511 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047148 174056631 /nfs/dbraw/zinc/05/66/31/174056631.db2.gz CRZZDOOGAPTBOS-SNVBAGLBSA-N 1 0 287.381 1.486 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H](C)N(C)C)c1O ZINC000038088865 174102114 /nfs/dbraw/zinc/10/21/14/174102114.db2.gz BHFOBKBDBYOUMK-NSHDSACASA-N 1 0 252.358 1.831 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457748 260237313 /nfs/dbraw/zinc/23/73/13/260237313.db2.gz ZLTWCONMDCXMFN-DGCLKSJQSA-N 1 0 262.353 1.726 20 10 CDCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(O)c1O ZINC000126309965 260349108 /nfs/dbraw/zinc/34/91/08/260349108.db2.gz JUPSRSGBGJQDHD-LLVKDONJSA-N 1 0 278.352 1.702 20 10 CDCDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1O)CC2 ZINC000183485210 261976682 /nfs/dbraw/zinc/97/66/82/261976682.db2.gz WQHAMXDVZWAACU-CMPLNLGQSA-N 1 0 272.352 1.958 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000185182680 262044970 /nfs/dbraw/zinc/04/49/70/262044970.db2.gz PWPDDERCDYSHQE-UHFFFAOYSA-N 1 0 250.342 1.577 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1O ZINC000272539155 263006082 /nfs/dbraw/zinc/00/60/82/263006082.db2.gz BWNPYRFSHRAYFB-JSGCOSHPSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000129639413 264329771 /nfs/dbraw/zinc/32/97/71/264329771.db2.gz HCCBTFYDJBENHY-STQMWFEESA-N 1 0 251.326 1.650 20 10 CDCDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296409293 279376796 /nfs/dbraw/zinc/37/67/96/279376796.db2.gz KUESNOZDRRGGON-NVTQBHAOSA-N 1 0 253.367 1.736 20 10 CDCDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccccc1O ZINC000271150629 328195215 /nfs/dbraw/zinc/19/52/15/328195215.db2.gz UTQFPBXROGAOIV-ZDUSSCGKSA-N 1 0 292.379 1.319 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1O ZINC000278565132 328227398 /nfs/dbraw/zinc/22/73/98/328227398.db2.gz BTEGMXPVDCWUAG-SKDRFNHKSA-N 1 0 296.323 1.512 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1O ZINC000252667300 334384657 /nfs/dbraw/zinc/38/46/57/334384657.db2.gz IIECCQHOAXMGTC-KBPBESRZSA-N 1 0 292.379 1.354 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3=O)C2)c(O)c1 ZINC001272626519 1161167110 /nfs/dbraw/zinc/16/71/10/1161167110.db2.gz ZTFZKTMNFIRJDC-INIZCTEOSA-N 1 0 290.363 1.455 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@]2(CCO)CCOC2)c(O)c1 ZINC000278520278 520372986 /nfs/dbraw/zinc/37/29/86/520372986.db2.gz RXNDVOCLEJNBIY-INIZCTEOSA-N 1 0 295.379 1.812 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000278286783 521872714 /nfs/dbraw/zinc/87/27/14/521872714.db2.gz ULRWVGWNICREGD-CYBMUJFWSA-N 1 0 282.296 1.266 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000279811501 522205441 /nfs/dbraw/zinc/20/54/41/522205441.db2.gz OOYYMUQXWPESJM-UHFFFAOYSA-N 1 0 296.436 1.810 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062857678 523383377 /nfs/dbraw/zinc/38/33/77/523383377.db2.gz MORKBIAEODMVOI-HNNXBMFYSA-N 1 0 262.353 1.740 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000299161413 524075595 /nfs/dbraw/zinc/07/55/95/524075595.db2.gz LCDBOPNQRVHQBZ-ZDUSSCGKSA-N 1 0 291.395 1.137 20 10 CDCDRO Cc1cccc(C[NH2+]CCS(=O)(=O)C(C)C)c1O ZINC000290200995 524431724 /nfs/dbraw/zinc/43/17/24/524431724.db2.gz PPNIPKXEMSIORY-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccccc1O ZINC000228062530 525425232 /nfs/dbraw/zinc/42/52/32/525425232.db2.gz SIVNUPWJHPUDTH-MISXGVKJSA-N 1 0 251.326 1.583 20 10 CDCDRO COc1cccc(C[NH2+]CC2(N3CCOCC3)CC2)c1O ZINC000277428593 526014885 /nfs/dbraw/zinc/01/48/85/526014885.db2.gz BVVFRQUQRZGLGT-UHFFFAOYSA-N 1 0 292.379 1.355 20 10 CDCDRO Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(O)c1O ZINC000292090851 526209168 /nfs/dbraw/zinc/20/91/68/526209168.db2.gz NRAQTGOFAMZGSR-LLVKDONJSA-N 1 0 280.368 1.865 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000237944740 527481057 /nfs/dbraw/zinc/48/10/57/527481057.db2.gz ZJBARWMJVKJEPY-BPUTZDHNSA-N 1 0 287.407 1.848 20 10 CDCDRO COc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1O ZINC000732284102 575086809 /nfs/dbraw/zinc/08/68/09/575086809.db2.gz HWVQVIAOMCZGCZ-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000734160497 575160747 /nfs/dbraw/zinc/16/07/47/575160747.db2.gz CQZSXSNDUIQCIT-HNNXBMFYSA-N 1 0 294.370 1.523 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734285172 575335173 /nfs/dbraw/zinc/33/51/73/575335173.db2.gz HIPVVMRFTMWQLW-CYBMUJFWSA-N 1 0 289.379 1.770 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H](C)C(=O)NC)cc1 ZINC000773756820 575837806 /nfs/dbraw/zinc/83/78/06/575837806.db2.gz VVWHVYNKTNPRKI-ZDUSSCGKSA-N 1 0 277.412 1.957 20 10 CDCDRO C[N@H+](CCn1cccn1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768446349 576284139 /nfs/dbraw/zinc/28/41/39/576284139.db2.gz JRINDTKPCXCNLX-CQSZACIVSA-N 1 0 289.335 1.147 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCCOCC1)[C@H](O)CO2 ZINC000768445776 576284184 /nfs/dbraw/zinc/28/41/84/576284184.db2.gz UIVMELBVDICEAW-CYBMUJFWSA-N 1 0 265.309 1.040 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCOC1 ZINC000768448099 576284875 /nfs/dbraw/zinc/28/48/75/576284875.db2.gz BKRVGTSVDVJQNL-MFKMUULPSA-N 1 0 265.309 1.039 20 10 CDCDRO CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768453620 576285642 /nfs/dbraw/zinc/28/56/42/576285642.db2.gz ZYZZBCKGXMANEI-BXUZGUMPSA-N 1 0 279.336 1.429 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)CC(=O)N(C)C)cc1 ZINC000741752930 576570878 /nfs/dbraw/zinc/57/08/78/576570878.db2.gz JFUUHTWNQUAULV-UHFFFAOYSA-N 1 0 263.385 1.663 20 10 CDCDRO C[NH+](C)CCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000762260955 576635214 /nfs/dbraw/zinc/63/52/14/576635214.db2.gz DCKXAFIIHSUYQG-UHFFFAOYSA-N 1 0 280.368 1.488 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCN1CC[C@H](C)C1 ZINC000744449914 576681614 /nfs/dbraw/zinc/68/16/14/576681614.db2.gz HZHRTKKKFCNYRY-LBPRGKRZSA-N 1 0 264.369 1.832 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763727295 576752662 /nfs/dbraw/zinc/75/26/62/576752662.db2.gz ILVZISYLODZTTQ-LBPRGKRZSA-N 1 0 261.321 1.920 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccccc1O ZINC000748156472 576897727 /nfs/dbraw/zinc/89/77/27/576897727.db2.gz GBXIGLBISVTBSZ-ZDUSSCGKSA-N 1 0 293.436 1.841 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC(F)F)cc1F ZINC000758612590 577121787 /nfs/dbraw/zinc/12/17/87/577121787.db2.gz GHQKQHYECZHCRW-SNVBAGLBSA-N 1 0 276.302 1.997 20 10 CDCDRO O=C(NCC[C@H]1CC[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000891998493 617398584 /nfs/dbraw/zinc/39/85/84/617398584.db2.gz GBVXXNZINBPBRB-LLVKDONJSA-N 1 0 275.352 1.417 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(=O)CCF)[NH+](C)C)cc1 ZINC000891245313 617390840 /nfs/dbraw/zinc/39/08/40/617390840.db2.gz CMJAYYNBXNETOB-AWEZNQCLSA-N 1 0 281.375 1.831 20 10 CDCDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000891457171 617421136 /nfs/dbraw/zinc/42/11/36/617421136.db2.gz XNAOPSNDNNJFCL-CMPLNLGQSA-N 1 0 294.374 1.523 20 10 CDCDRO COc1ccc(CN2CC[NH+](C3CC3)CC2)c(O)c1OC ZINC000891578772 617487099 /nfs/dbraw/zinc/48/70/99/617487099.db2.gz OSUYRMHNYOGEPI-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO COc1ccc(C[NH2+]CCC[S@@](C)=O)c(O)c1OC ZINC000893005264 618048268 /nfs/dbraw/zinc/04/82/68/618048268.db2.gz SDPBQNFZLLYTSM-LJQANCHMSA-N 1 0 287.381 1.268 20 10 CDCDRO C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000891813858 617605611 /nfs/dbraw/zinc/60/56/11/617605611.db2.gz LWFYDGQRASFXKV-ZLDLUXBVSA-N 1 0 288.395 1.569 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCN(C)C1=O ZINC000840935481 617607677 /nfs/dbraw/zinc/60/76/77/617607677.db2.gz QSRGXCOLVCMKRX-OAHLLOKOSA-N 1 0 275.396 1.771 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)c(O)c1OC ZINC000893932924 618192434 /nfs/dbraw/zinc/19/24/34/618192434.db2.gz LEZDBBMMJOXGGV-VHSXEESVSA-N 1 0 269.341 1.922 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894281468 618451677 /nfs/dbraw/zinc/45/16/77/618451677.db2.gz VIMKWUKOABGVLT-LBPRGKRZSA-N 1 0 269.341 1.196 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@@H](CC)CO)c(O)c1 ZINC000824533550 618578121 /nfs/dbraw/zinc/57/81/21/618578121.db2.gz HNPDPNJJRMPLKO-LBPRGKRZSA-N 1 0 253.342 1.994 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)CCCO ZINC000824603693 618584012 /nfs/dbraw/zinc/58/40/12/618584012.db2.gz XZVPZKSPUFJAAF-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO COc1ccc(C[NH2+]CCCCCO)c(O)c1OC ZINC000894125625 618606015 /nfs/dbraw/zinc/60/60/15/618606015.db2.gz VQOHGBDBEIHRIT-UHFFFAOYSA-N 1 0 269.341 1.662 20 10 CDCDRO COc1c(O)c(CN[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841042210 618678106 /nfs/dbraw/zinc/67/81/06/618678106.db2.gz FSKITAZESGBFOF-SNVBAGLBSA-N 1 0 281.312 1.151 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000843057545 618691040 /nfs/dbraw/zinc/69/10/40/618691040.db2.gz JOQXPUUAZIXDEN-SWLSCSKDSA-N 1 0 264.369 1.557 20 10 CDCDRO CNC(=O)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC000894357828 618818497 /nfs/dbraw/zinc/81/84/97/618818497.db2.gz BHEXSRNFAGARDY-ZDUSSCGKSA-N 1 0 280.368 1.569 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCc2ccnn2C)c1O ZINC000894469323 618905431 /nfs/dbraw/zinc/90/54/31/618905431.db2.gz LIPRCVZWMVFQKT-UHFFFAOYSA-N 1 0 275.352 1.775 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1 ZINC000895118076 619309324 /nfs/dbraw/zinc/30/93/24/619309324.db2.gz ZDFHWBWIELYTMI-SDDRHHMPSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1OC ZINC000895630670 619771036 /nfs/dbraw/zinc/77/10/36/619771036.db2.gz BQICXJNOGPSKAV-JGZJWPJOSA-N 1 0 267.325 1.270 20 10 CDCDRO COCC1C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895976034 619923252 /nfs/dbraw/zinc/92/32/52/619923252.db2.gz KNIWHURVYRFOPS-UHFFFAOYSA-N 1 0 251.326 1.787 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCN2C)c(O)c1OC ZINC000896593875 620160697 /nfs/dbraw/zinc/16/06/97/620160697.db2.gz PXSFAAYAPYOKRO-LLVKDONJSA-N 1 0 266.341 1.203 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1O ZINC000897679399 621066281 /nfs/dbraw/zinc/06/62/81/621066281.db2.gz KALAEJQTFKQTFK-PELKAZGASA-N 1 0 286.169 1.967 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000897684229 621072018 /nfs/dbraw/zinc/07/20/18/621072018.db2.gz LKFJZRRRAGGMSV-HZMBPMFUSA-N 1 0 252.333 1.704 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)CCC(=O)NC)c1O ZINC000897710573 621084232 /nfs/dbraw/zinc/08/42/32/621084232.db2.gz XFFPOGXZPFZMAB-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO O=C(NCc1ccc(O)cc1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000910946933 629126486 /nfs/dbraw/zinc/12/64/86/629126486.db2.gz WDRLSBYARYFLLA-CYBMUJFWSA-N 1 0 276.336 1.341 20 10 CDCDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000911783725 629501112 /nfs/dbraw/zinc/50/11/12/629501112.db2.gz XXCCYFWKQRWNCD-CYBMUJFWSA-N 1 0 263.385 1.691 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921716140 633236148 /nfs/dbraw/zinc/23/61/48/633236148.db2.gz KRGCMQIQOFDBEM-UHFFFAOYSA-N 1 0 298.408 1.041 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)OCCO)c1O ZINC000846168370 693889265 /nfs/dbraw/zinc/88/92/65/693889265.db2.gz AIKXWVPXNYOMLC-NSHDSACASA-N 1 0 283.368 1.839 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc2c(cc1O)OCO2 ZINC000843121756 693889957 /nfs/dbraw/zinc/88/99/57/693889957.db2.gz KTWBLMUJQXQHGX-QWRGUYRKSA-N 1 0 282.315 1.253 20 10 CDCDRO CCc1cccc(C[NH2+][C@@](C)(CO)COC)c1O ZINC000716854203 693960643 /nfs/dbraw/zinc/96/06/43/693960643.db2.gz SNTMLYPFTXHHFY-AWEZNQCLSA-N 1 0 253.342 1.442 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(F)ccc1O ZINC000834908903 693976282 /nfs/dbraw/zinc/97/62/82/693976282.db2.gz MQOMFVQOMMBREQ-YMTOWFKASA-N 1 0 266.316 1.851 20 10 CDCDRO COC1(C(=O)N(C)c2ccc(N)cc2)CC[NH2+]CC1 ZINC000877078762 693997208 /nfs/dbraw/zinc/99/72/08/693997208.db2.gz DCTFLGCYTYDTAR-UHFFFAOYSA-N 1 0 263.341 1.000 20 10 CDCDRO C[NH2+]C[C@@](C)(O)CN(C)CCN(C)c1ccc(OC)cc1 ZINC000846225351 694017526 /nfs/dbraw/zinc/01/75/26/694017526.db2.gz NCTPAJNDBNPEFS-MRXNPFEDSA-N 1 0 295.427 1.034 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(CO)(CO)CC2)c1O ZINC000877796423 694035425 /nfs/dbraw/zinc/03/54/25/694035425.db2.gz MGZCWPWTJQFYCU-UHFFFAOYSA-N 1 0 279.380 1.521 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c1O ZINC000846143663 694096420 /nfs/dbraw/zinc/09/64/20/694096420.db2.gz FNSRHPAHNMKVAY-SNVBAGLBSA-N 1 0 287.381 1.486 20 10 CDCDRO CNC(=O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000155251941 694098173 /nfs/dbraw/zinc/09/81/73/694098173.db2.gz CMYWGJVMUHOUOH-UHFFFAOYSA-N 1 0 291.395 1.390 20 10 CDCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000824708024 688236554 /nfs/dbraw/zinc/23/65/54/688236554.db2.gz COQHCPZQYYXFBZ-ZBFHGGJFSA-N 1 0 278.396 1.894 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000841081572 688341586 /nfs/dbraw/zinc/34/15/86/688341586.db2.gz YANHBFZYTUPCHG-JTQLQIEISA-N 1 0 297.355 1.916 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](O)C2)ccc1OC ZINC000850417797 688419989 /nfs/dbraw/zinc/41/99/89/688419989.db2.gz MEIRFDGNYCJLNB-HDJSIYSDSA-N 1 0 265.353 1.845 20 10 CDCDRO COc1cc(Cl)cc(CN2CCC([NH3+])CC2)c1O ZINC000229102415 688555741 /nfs/dbraw/zinc/55/57/41/688555741.db2.gz YQRCDCUVUUVFCA-UHFFFAOYSA-N 1 0 270.760 1.977 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1O ZINC000846154269 688567021 /nfs/dbraw/zinc/56/70/21/688567021.db2.gz MSYWKVYSUOLLNA-NXEZZACHSA-N 1 0 266.341 1.528 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846137839 688754254 /nfs/dbraw/zinc/75/42/54/688754254.db2.gz RJMDTIVJGKJNSU-NXEZZACHSA-N 1 0 266.341 1.576 20 10 CDCDRO Nc1ccc(CC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000834849154 688762672 /nfs/dbraw/zinc/76/26/72/688762672.db2.gz RCVNDTFMIBCNOA-CQSZACIVSA-N 1 0 261.369 1.460 20 10 CDCDRO COCC[C@]1([NH2+]Cc2cc(C)ccc2O)CCOC1 ZINC000775033173 688787464 /nfs/dbraw/zinc/78/74/64/688787464.db2.gz MEYIZBUUTWCJHK-HNNXBMFYSA-N 1 0 265.353 1.986 20 10 CDCDRO CC(C)(O)C[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000129974180 688789845 /nfs/dbraw/zinc/78/98/45/688789845.db2.gz LWRCRPNVGIYMIC-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO CCS(=O)(=O)CCN(C)Cc1cc(C)ccc1O ZINC000093643518 688800599 /nfs/dbraw/zinc/80/05/99/688800599.db2.gz GZMYOHDNJZJMFA-UHFFFAOYSA-N 1 0 271.382 1.567 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C[C@H](C)[NH3+])CC2)cc1F ZINC000831143262 688816542 /nfs/dbraw/zinc/81/65/42/688816542.db2.gz MDHDSACVHRMCEE-NSHDSACASA-N 1 0 295.358 1.220 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000322730770 688849448 /nfs/dbraw/zinc/84/94/48/688849448.db2.gz VJBSFWGHVAODHH-WDEREUQCSA-N 1 0 250.342 1.876 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@]2(CCO)CCOC2)c(O)c1 ZINC000775028956 688876872 /nfs/dbraw/zinc/87/68/72/688876872.db2.gz HNIXAMQYUNVJGY-HNNXBMFYSA-N 1 0 281.352 1.422 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)ccc21 ZINC000844177188 694251184 /nfs/dbraw/zinc/25/11/84/694251184.db2.gz APHCHBZWDOGVSB-OKILXGFUSA-N 1 0 273.380 1.423 20 10 CDCDRO COc1cccc(CNC(=O)N[C@@H](C[NH3+])CC(C)C)c1O ZINC000841951004 694300022 /nfs/dbraw/zinc/30/00/22/694300022.db2.gz KXMZOKXBJHREDB-GFCCVEGCSA-N 1 0 295.383 1.573 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H](C)CCC[NH3+])c(O)c1 ZINC000841999200 694311600 /nfs/dbraw/zinc/31/16/00/694311600.db2.gz CXVFXDUGAHRTOU-SNVBAGLBSA-N 1 0 281.356 1.327 20 10 CDCDRO CCOc1ccc(CN2CCC([NH2+]CCO)CC2)c(O)c1 ZINC000873218192 694312120 /nfs/dbraw/zinc/31/21/20/694312120.db2.gz ZBZNHTQPDHOZAT-UHFFFAOYSA-N 1 0 294.395 1.337 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)C[NH+]1CCCC1 ZINC000126398703 694345000 /nfs/dbraw/zinc/34/50/00/694345000.db2.gz QJYSNVSAEXZYFE-NSHDSACASA-N 1 0 278.352 1.560 20 10 CDCDRO CCc1cccc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1O ZINC000848919862 694350705 /nfs/dbraw/zinc/35/07/05/694350705.db2.gz UAHCCJZVTOPGPB-KGLIPLIRSA-N 1 0 293.363 1.310 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1 ZINC000877783390 694365853 /nfs/dbraw/zinc/36/58/53/694365853.db2.gz RDWUDDIFFYWCBC-UHFFFAOYSA-N 1 0 287.407 1.855 20 10 CDCDRO CN1CCCc2cc(CNC(=O)NCC3C[NH2+]C3)ccc21 ZINC000841758745 694372457 /nfs/dbraw/zinc/37/24/57/694372457.db2.gz JYBBSHPYVFGAAY-UHFFFAOYSA-N 1 0 288.395 1.088 20 10 CDCDRO CS[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H]1[NH+](C)C ZINC000790903806 694372712 /nfs/dbraw/zinc/37/27/12/694372712.db2.gz BGNLPCJZKAPMEX-JQWIXIFHSA-N 1 0 296.392 1.215 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)c(O)c1 ZINC000877121208 694377120 /nfs/dbraw/zinc/37/71/20/694377120.db2.gz QGEICPCFZWJSIX-SNVBAGLBSA-N 1 0 257.355 1.223 20 10 CDCDRO CCN(CC[NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000861550091 694387803 /nfs/dbraw/zinc/38/78/03/694387803.db2.gz XPVREKOIWGXWMV-UHFFFAOYSA-N 1 0 264.373 1.243 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CCNC2=O)c1O ZINC000886744971 694398541 /nfs/dbraw/zinc/39/85/41/694398541.db2.gz LBQLYCKERQMXDJ-JTQLQIEISA-N 1 0 279.340 1.077 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCCC[NH+]2CCCC2)c1 ZINC000864395732 694446220 /nfs/dbraw/zinc/44/62/20/694446220.db2.gz AYDSKTRHIAGLCI-UHFFFAOYSA-N 1 0 291.395 1.986 20 10 CDCDRO CCc1cccc(C[NH+]2CCN(C(C)(C)CO)CC2)c1O ZINC000848887482 694494625 /nfs/dbraw/zinc/49/46/25/694494625.db2.gz XKAYRJIBLUKVBD-UHFFFAOYSA-N 1 0 292.423 1.843 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)C(C)C)c1 ZINC000394068988 692128722 /nfs/dbraw/zinc/12/87/22/692128722.db2.gz IRKNBMDOKOJYLA-LBPRGKRZSA-N 1 0 253.342 1.755 20 10 CDCDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(N)cc1 ZINC000841298328 692132663 /nfs/dbraw/zinc/13/26/63/692132663.db2.gz AHHNJYRAAUXMOK-UHFFFAOYSA-N 1 0 293.415 1.274 20 10 CDCDRO COC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000775804359 692137406 /nfs/dbraw/zinc/13/74/06/692137406.db2.gz ITLDIMVSCQEZGP-SECBINFHSA-N 1 0 255.314 1.534 20 10 CDCDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000883361840 692181622 /nfs/dbraw/zinc/18/16/22/692181622.db2.gz NKHIFYLMMGNWCO-KRWDZBQOSA-N 1 0 289.423 1.707 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299750 692207505 /nfs/dbraw/zinc/20/75/05/692207505.db2.gz NLGDSJNRELSAAP-CYBMUJFWSA-N 1 0 262.357 1.827 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000832178104 692253835 /nfs/dbraw/zinc/25/38/35/692253835.db2.gz NNVWCFWENQHBDM-STQMWFEESA-N 1 0 278.352 1.405 20 10 CDCDRO COc1cccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1O ZINC000086466840 692267172 /nfs/dbraw/zinc/26/71/72/692267172.db2.gz ULOJABSOXFOLES-GHMZBOCLSA-N 1 0 250.342 1.583 20 10 CDCDRO COC(=O)C[N@H+](Cc1cccc(C)c1O)C1CCOCC1 ZINC000775723425 692281396 /nfs/dbraw/zinc/28/13/96/692281396.db2.gz HJAKYVNINTUIQC-UHFFFAOYSA-N 1 0 293.363 1.855 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc(N(C)C)cc1 ZINC000305109980 692290818 /nfs/dbraw/zinc/29/08/18/692290818.db2.gz FKRTVJBWPYNDQB-IUODEOHRSA-N 1 0 265.401 1.326 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000876655077 692300701 /nfs/dbraw/zinc/30/07/01/692300701.db2.gz VMXMMJCIFGOEHG-LBPRGKRZSA-N 1 0 260.337 1.507 20 10 CDCDRO CC[NH2+]CCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841918126 692319324 /nfs/dbraw/zinc/31/93/24/692319324.db2.gz SGIZOFRQFVYEBG-UHFFFAOYSA-N 1 0 292.427 1.894 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000775108862 692348425 /nfs/dbraw/zinc/34/84/25/692348425.db2.gz OUZGPUISIMPLGS-JOYOIKCWSA-N 1 0 296.323 1.512 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000846695740 692396168 /nfs/dbraw/zinc/39/61/68/692396168.db2.gz AEDBDZFAALQCJN-CHWSQXEVSA-N 1 0 293.411 1.573 20 10 CDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000818208480 692436162 /nfs/dbraw/zinc/43/61/62/692436162.db2.gz ISNMWWWSYMWJHT-HZSPNIEDSA-N 1 0 290.363 1.247 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000311763889 692454440 /nfs/dbraw/zinc/45/44/40/692454440.db2.gz BBBYPTKXFFDNQT-AWEZNQCLSA-N 1 0 261.369 1.496 20 10 CDCDRO CCN(CC)c1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000843120340 692454986 /nfs/dbraw/zinc/45/49/86/692454986.db2.gz GHZFTRQPTXCEFJ-QGZVFWFLSA-N 1 0 290.455 1.608 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000775032772 692511716 /nfs/dbraw/zinc/51/17/16/692511716.db2.gz KDGVFVLAXUCOLN-CQSZACIVSA-N 1 0 251.326 1.677 20 10 CDCDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861590470 692712506 /nfs/dbraw/zinc/71/25/06/692712506.db2.gz SBAGBXQSLVJDPH-ZDUSSCGKSA-N 1 0 288.395 1.551 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H](C)CO1 ZINC000844733773 692744050 /nfs/dbraw/zinc/74/40/50/692744050.db2.gz XSGFAEJORQVGHL-HCKVZZMMSA-N 1 0 293.363 1.817 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000828668230 692860269 /nfs/dbraw/zinc/86/02/69/692860269.db2.gz ZTAZXXOOFVZYJK-TVQRCGJNSA-N 1 0 278.352 1.705 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1Cl ZINC000825391415 692868873 /nfs/dbraw/zinc/86/88/73/692868873.db2.gz UYPDFWKLHKJUDV-ZDUSSCGKSA-N 1 0 295.770 1.911 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000846145091 692919918 /nfs/dbraw/zinc/91/99/18/692919918.db2.gz KHADGFDDTNDEBY-CMPLNLGQSA-N 1 0 278.352 1.672 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c(O)c1 ZINC000706722699 692943811 /nfs/dbraw/zinc/94/38/11/692943811.db2.gz NRTIWJWFVSFVEO-ZKYQVNSYSA-N 1 0 251.326 1.501 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000398350884 692973826 /nfs/dbraw/zinc/97/38/26/692973826.db2.gz ZSJNTGAJNXYMNY-NWDGAFQWSA-N 1 0 261.369 1.539 20 10 CDCDRO COC(=O)COc1ccc(N(C)CCC[NH3+])cc1 ZINC000841020111 693005124 /nfs/dbraw/zinc/00/51/24/693005124.db2.gz JSELJKKCIGSSQQ-UHFFFAOYSA-N 1 0 252.314 1.023 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC(C)(C)[NH3+])cc1F ZINC000841760274 693011612 /nfs/dbraw/zinc/01/16/12/693011612.db2.gz JOROFLHVBKJSOI-UHFFFAOYSA-N 1 0 282.363 1.428 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1C ZINC000886252025 693050993 /nfs/dbraw/zinc/05/09/93/693050993.db2.gz RINFRQLIZXEKJP-QDMKHBRRSA-N 1 0 279.380 1.758 20 10 CDCDRO CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(=O)NC ZINC000858175952 694634292 /nfs/dbraw/zinc/63/42/92/694634292.db2.gz YJCZWPHGONWOKS-GFCCVEGCSA-N 1 0 285.338 1.645 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CCCCO)cc1 ZINC000844399848 693059302 /nfs/dbraw/zinc/05/93/02/693059302.db2.gz PZARFIJGJPFKPG-UHFFFAOYSA-N 1 0 266.385 1.836 20 10 CDCDRO C[C@@H](Cc1cnccn1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940017 693076662 /nfs/dbraw/zinc/07/66/62/693076662.db2.gz DUUHLBDKADPAPU-SUMWQHHRSA-N 1 0 299.422 1.763 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000877056729 693082034 /nfs/dbraw/zinc/08/20/34/693082034.db2.gz OKUQYAKSTQGBEE-LLVKDONJSA-N 1 0 269.366 1.367 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877120739 693102395 /nfs/dbraw/zinc/10/23/95/693102395.db2.gz UPTYAZKEIBYAMV-OLZOCXBDSA-N 1 0 262.353 1.705 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852825596 693110333 /nfs/dbraw/zinc/11/03/33/693110333.db2.gz SQKUOJAIQUNCQV-JOCQHMNTSA-N 1 0 262.353 1.868 20 10 CDCDRO Cc1cc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1N(C)C ZINC000923297433 693144971 /nfs/dbraw/zinc/14/49/71/693144971.db2.gz PFADTKYYUGAEEY-CJNGLKHVSA-N 1 0 277.412 1.609 20 10 CDCDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(F)ccc1O)C2 ZINC000702596923 693152783 /nfs/dbraw/zinc/15/27/83/693152783.db2.gz MXAZYBNBNQHPBI-GASCZTMLSA-N 1 0 264.344 1.963 20 10 CDCDRO CCN(C)c1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000881313386 693209694 /nfs/dbraw/zinc/20/96/94/693209694.db2.gz LADNZQXLKHFTBX-HNNXBMFYSA-N 1 0 299.422 1.935 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](CCSC)C(=O)NC)c1O ZINC000848911237 693229569 /nfs/dbraw/zinc/22/95/69/693229569.db2.gz DNCDSIBWRLVQQT-ZDUSSCGKSA-N 1 0 296.436 1.912 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(C)cc1O ZINC000877593107 693359096 /nfs/dbraw/zinc/35/90/96/693359096.db2.gz YSVWDCBDBQXXSV-UHFFFAOYSA-N 1 0 271.382 1.615 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](CN)C2CC2)cc1OC ZINC000841028238 693345470 /nfs/dbraw/zinc/34/54/70/693345470.db2.gz MZOCMCIPYSPRCU-NSHDSACASA-N 1 0 266.341 1.236 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000230663342 694667963 /nfs/dbraw/zinc/66/79/63/694667963.db2.gz NXMKQKPNDFBWNO-VXGBXAGGSA-N 1 0 253.342 1.749 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C[N@H+](C)C1CCC1 ZINC000863859152 693401403 /nfs/dbraw/zinc/40/14/03/693401403.db2.gz MDFBSLMGKOVTSD-UHFFFAOYSA-N 1 0 262.353 1.835 20 10 CDCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066969638 693403566 /nfs/dbraw/zinc/40/35/66/693403566.db2.gz DMGACPKTJAZTNR-LBPRGKRZSA-N 1 0 282.359 1.787 20 10 CDCDRO CN1CC[NH+]=C1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000848993625 694689952 /nfs/dbraw/zinc/68/99/52/694689952.db2.gz VTGKYEZZSPXVCK-UHFFFAOYSA-N 1 0 292.358 1.053 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(F)ccc1O ZINC000702652926 693442550 /nfs/dbraw/zinc/44/25/50/693442550.db2.gz NRBAWTWARJNHQE-HZMBPMFUSA-N 1 0 268.332 1.249 20 10 CDCDRO CN(C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccc(N)cc1 ZINC000877075256 694701162 /nfs/dbraw/zinc/70/11/62/694701162.db2.gz BJDANLVZFBZONE-OAHLLOKOSA-N 1 0 299.378 1.666 20 10 CDCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1nccn1C ZINC000817940284 694729754 /nfs/dbraw/zinc/72/97/54/694729754.db2.gz FPYZGPSRQCZWOD-DOMZBBRYSA-N 1 0 287.411 1.837 20 10 CDCDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(N)cc2)C1(C)C ZINC000832244805 694736402 /nfs/dbraw/zinc/73/64/02/694736402.db2.gz XEUDTKZUASTPSH-DOMZBBRYSA-N 1 0 277.368 1.740 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835075368 694796976 /nfs/dbraw/zinc/79/69/76/694796976.db2.gz WYPBBWJKZIGYIW-TZMCWYRMSA-N 1 0 290.363 1.644 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057558024 694801174 /nfs/dbraw/zinc/80/11/74/694801174.db2.gz CIYPSDQLCLESSD-UHFFFAOYSA-N 1 0 281.375 1.848 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1 ZINC000878983901 694822565 /nfs/dbraw/zinc/82/25/65/694822565.db2.gz OEEXECLFYZPGNG-HOTGVXAUSA-N 1 0 278.396 1.460 20 10 CDCDRO C[NH2+]CCNCc1cc(Br)ccc1O ZINC000841037362 694631158 /nfs/dbraw/zinc/63/11/58/694631158.db2.gz ZWQFRGZYUMWPLL-UHFFFAOYSA-N 1 0 259.147 1.464 20 10 CDCDRO C[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@H]1CC[NH3+] ZINC000846692368 694745280 /nfs/dbraw/zinc/74/52/80/694745280.db2.gz ANSPMBAVWIVGII-WFASDCNBSA-N 1 0 275.396 1.787 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843048227 694795358 /nfs/dbraw/zinc/79/53/58/694795358.db2.gz CIURSHGWGOPEJN-VIFPVBQESA-N 1 0 281.312 1.090 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1C ZINC000090027613 694838641 /nfs/dbraw/zinc/83/86/41/694838641.db2.gz PGYAUKQVBBVISU-LBPRGKRZSA-N 1 0 276.336 1.241 20 10 CDCDRO C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000775402381 694838667 /nfs/dbraw/zinc/83/86/67/694838667.db2.gz DXJPZPDBNMRJFK-NEPJUHHUSA-N 1 0 263.385 1.880 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000832401061 694839399 /nfs/dbraw/zinc/83/93/99/694839399.db2.gz RRGDVMAWQSKVCG-KRWDZBQOSA-N 1 0 292.423 1.892 20 10 CDCDRO CN1C(=O)NCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000822529654 694853520 /nfs/dbraw/zinc/85/35/20/694853520.db2.gz GUTFKZAOVBNVFX-UHFFFAOYSA-N 1 0 293.342 1.521 20 10 CDCDRO CCOc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC000827359361 694869042 /nfs/dbraw/zinc/86/90/42/694869042.db2.gz MWJDXTIMHZWMMZ-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCc2cnc(C)cn2)c1 ZINC000835062773 694871648 /nfs/dbraw/zinc/87/16/48/694871648.db2.gz XCQSRFKLWPJRED-UHFFFAOYSA-N 1 0 273.336 1.832 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)c(O)c1 ZINC000788593175 694886746 /nfs/dbraw/zinc/88/67/46/694886746.db2.gz FUDIBJIWDKGHQO-CHWSQXEVSA-N 1 0 266.385 1.582 20 10 CDCDRO CN(Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCC[N@@H+]1C ZINC000817373838 694893004 /nfs/dbraw/zinc/89/30/04/694893004.db2.gz OVPGOQHSOUUGNW-IUODEOHRSA-N 1 0 292.379 1.344 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(CCCCO)CC1 ZINC000876724641 694895981 /nfs/dbraw/zinc/89/59/81/694895981.db2.gz DPZRFFJRHXEUHQ-UHFFFAOYSA-N 1 0 278.396 1.591 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000724870894 695119488 /nfs/dbraw/zinc/11/94/88/695119488.db2.gz BYOQUUUYCKODDK-DGCLKSJQSA-N 1 0 271.744 1.939 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000382544686 695161286 /nfs/dbraw/zinc/16/12/86/695161286.db2.gz FLHUNPORKQAJGL-ZANVPECISA-N 1 0 257.305 1.579 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305214862 695170277 /nfs/dbraw/zinc/17/02/77/695170277.db2.gz QWOBBJANNZXSFR-MRXNPFEDSA-N 1 0 290.407 1.728 20 10 CDCDRO Cc1cc(CN2C[C@H]3CC[C@]3([NH3+])C2)ccc1N(C)C ZINC001235984907 1161200925 /nfs/dbraw/zinc/20/09/25/1161200925.db2.gz BMHXKBZNTMIRNX-ZBFHGGJFSA-N 1 0 259.397 1.984 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCCCO)cc1 ZINC001578424668 1171905774 /nfs/dbraw/zinc/90/57/74/1171905774.db2.gz QTYQYLFXFQQPEP-OAHLLOKOSA-N 1 0 293.411 1.421 20 10 CDCDRO Cc1cc(C(=O)NC2(C)C[NH2+]C2)c(C)n1-c1ccccn1 ZINC001579560436 1172212927 /nfs/dbraw/zinc/21/29/27/1172212927.db2.gz XNKSJNHEBMHYCC-UHFFFAOYSA-N 1 0 284.363 1.581 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(CCF)CC2)c1O ZINC000402776927 1186448212 /nfs/dbraw/zinc/44/82/12/1186448212.db2.gz NPGXAGCFQUTLLV-UHFFFAOYSA-N 1 0 252.333 1.788 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC3(C2)OCCO3)c1O ZINC000093013489 723095055 /nfs/dbraw/zinc/09/50/55/723095055.db2.gz LGZVPQSAQOSGOO-UHFFFAOYSA-N 1 0 265.309 1.350 20 10 CDCDRO COc1c(O)c(C[N@H+](C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000827903404 723192281 /nfs/dbraw/zinc/19/22/81/723192281.db2.gz GVHHNULLBULGHR-UHFFFAOYSA-N 1 0 296.323 1.656 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000787246037 723201254 /nfs/dbraw/zinc/20/12/54/723201254.db2.gz PUQLAWNGRSHJJV-MWLCHTKSSA-N 1 0 293.319 1.504 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000934943905 723357673 /nfs/dbraw/zinc/35/76/73/723357673.db2.gz VXBLNXIOUQWYQX-CQSZACIVSA-N 1 0 292.379 1.890 20 10 CDCDRO CC[C@@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877055901 723371291 /nfs/dbraw/zinc/37/12/91/723371291.db2.gz RYVYXFDPNUPKQV-HNNXBMFYSA-N 1 0 292.423 1.898 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000829764651 723445743 /nfs/dbraw/zinc/44/57/43/723445743.db2.gz RNTVVCHOALQBHN-VXGBXAGGSA-N 1 0 263.385 1.661 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000862539234 723505038 /nfs/dbraw/zinc/50/50/38/723505038.db2.gz KQHQSUDBCWLZIM-LBPRGKRZSA-N 1 0 279.384 1.559 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000093012784 723582713 /nfs/dbraw/zinc/58/27/13/723582713.db2.gz XIWNCRZKKBCEAO-UHFFFAOYSA-N 1 0 262.353 1.701 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C(=O)NC(C)C)c1 ZINC000228936265 723642236 /nfs/dbraw/zinc/64/22/36/723642236.db2.gz AKXOMYJLNRHRDV-SNVBAGLBSA-N 1 0 266.341 1.404 20 10 CDCDRO C[N@@H+]1CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843159013 723606748 /nfs/dbraw/zinc/60/67/48/723606748.db2.gz KPPOEZHOKYZULP-LLVKDONJSA-N 1 0 258.325 1.662 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1[NH3+] ZINC000843053665 723632909 /nfs/dbraw/zinc/63/29/09/723632909.db2.gz QBLUCGODVBCCFH-PWSUYJOCSA-N 1 0 278.352 1.680 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1[O-] ZINC000817977845 723672073 /nfs/dbraw/zinc/67/20/73/723672073.db2.gz QKJUTAULMANMNZ-KZVDOYCCSA-N 1 0 250.317 1.790 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000038088107 723148768 /nfs/dbraw/zinc/14/87/68/723148768.db2.gz NLPBNADXGPJAED-AWEZNQCLSA-N 1 0 277.412 1.563 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852870476 723164205 /nfs/dbraw/zinc/16/42/05/723164205.db2.gz CPXFKVXMDHERHY-JOCQHMNTSA-N 1 0 261.369 1.415 20 10 CDCDRO C[C@H](C[NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597282 723165356 /nfs/dbraw/zinc/16/53/56/723165356.db2.gz DKKLZPUWLRJGSH-SNVBAGLBSA-N 1 0 262.353 1.482 20 10 CDCDRO CCOc1cccc(C[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000922938580 723228687 /nfs/dbraw/zinc/22/86/87/723228687.db2.gz FVLPIEISDBXOPE-CYBMUJFWSA-N 1 0 281.352 1.686 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000304059972 723244508 /nfs/dbraw/zinc/24/45/08/723244508.db2.gz OHIYRCZWMGXRMR-CQSZACIVSA-N 1 0 253.342 1.897 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000724880202 723355469 /nfs/dbraw/zinc/35/54/69/723355469.db2.gz MKKXGTYCDKHSQT-ZYHUDNBSSA-N 1 0 281.308 1.014 20 10 CDCDRO COc1cc(C)cc(CN(C)CC(=O)NC(C)C)c1O ZINC000111952083 723454848 /nfs/dbraw/zinc/45/48/48/723454848.db2.gz HJPJRQFCYNFYRZ-UHFFFAOYSA-N 1 0 280.368 1.666 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c1 ZINC000179691496 723506338 /nfs/dbraw/zinc/50/63/38/723506338.db2.gz GLUKDMJLFLTXHX-ZDUSSCGKSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H](CC(=O)NCCc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237446978 723575066 /nfs/dbraw/zinc/57/50/66/723575066.db2.gz QOWVEISVJWVWHU-DZGCQCFKSA-N 1 0 289.423 1.953 20 10 CDCDRO Cn1nccc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000381742747 723612153 /nfs/dbraw/zinc/61/21/53/723612153.db2.gz PNFYBTKYNSGXOE-ZDUSSCGKSA-N 1 0 257.337 1.945 20 10 CDCDRO CO[C@@]1(C[N@H+](C)Cc2ccccc2O)CCOC1 ZINC000876615521 723627593 /nfs/dbraw/zinc/62/75/93/723627593.db2.gz GZKYXBLJFFPGNE-CQSZACIVSA-N 1 0 251.326 1.630 20 10 CDCDRO CCOc1cccc(C[NH2+]Cc2cncn2C)c1O ZINC000289746145 723675403 /nfs/dbraw/zinc/67/54/03/723675403.db2.gz HFCYKCVLUMBNJA-UHFFFAOYSA-N 1 0 261.325 1.814 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c(O)c1 ZINC000876624460 723679452 /nfs/dbraw/zinc/67/94/52/723679452.db2.gz FKQGDYBTHPJECJ-CQSZACIVSA-N 1 0 289.379 1.690 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Cl)ccc1O ZINC000866419401 1164778832 /nfs/dbraw/zinc/77/88/32/1164778832.db2.gz BIPSRAFOOAGPEZ-KOLSJAJHSA-N 1 0 257.717 1.456 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000876910286 1165938996 /nfs/dbraw/zinc/93/89/96/1165938996.db2.gz BKCCPWJLSGGXKI-SECBINFHSA-N 1 0 252.314 1.015 20 10 CDCDRO C[NH+](C)CC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000826056826 1166215107 /nfs/dbraw/zinc/21/51/07/1166215107.db2.gz AVDKGXXCZFSSNK-UHFFFAOYSA-N 1 0 296.342 1.651 20 10 CDCDRO C[C@H](Cc1ccco1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258170236 1167429777 /nfs/dbraw/zinc/42/97/77/1167429777.db2.gz AOJSNSDIOKFCMC-MEBBXXQBSA-N 1 0 277.320 1.945 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001232834828 912538183 /nfs/dbraw/zinc/53/81/83/912538183.db2.gz NTKWTGKYNPOZIV-UHFFFAOYSA-N 1 0 262.353 1.536 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1O ZINC001140178272 895201346 /nfs/dbraw/zinc/20/13/46/895201346.db2.gz GOPCYLCSBOKCIX-AWEZNQCLSA-N 1 0 276.380 1.525 20 10 CDCDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461370 896164547 /nfs/dbraw/zinc/16/45/47/896164547.db2.gz JQDJLYBAMHYXQJ-JTQLQIEISA-N 1 0 268.744 1.743 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001140922099 898880783 /nfs/dbraw/zinc/88/07/83/898880783.db2.gz HHAFIDOHZNISGH-IUODEOHRSA-N 1 0 298.814 1.581 20 10 CDCDRO CN(C)c1ccc(CN2CC[C@H]([NH3+])C2)c(Cl)c1 ZINC001236170409 914721228 /nfs/dbraw/zinc/72/12/28/914721228.db2.gz JNNDXABRTPOLKF-NSHDSACASA-N 1 0 253.777 1.939 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CCO1 ZINC001168079535 906745574 /nfs/dbraw/zinc/74/55/74/906745574.db2.gz PSHHFUKKCFHFOH-ONGXEEELSA-N 1 0 267.325 1.503 20 10 CDCDRO Oc1cc(Br)ccc1C[NH2+]CCN1CCC1 ZINC000691439420 909149090 /nfs/dbraw/zinc/14/90/90/909149090.db2.gz DVKMGABZVUAGEN-UHFFFAOYSA-N 1 0 285.185 1.950 20 10 CDCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001206369638 915753789 /nfs/dbraw/zinc/75/37/89/915753789.db2.gz GYDFZDMYPCFQKD-AWEZNQCLSA-N 1 0 284.331 1.456 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@@]1(C)O ZINC001204275710 916503558 /nfs/dbraw/zinc/50/35/58/916503558.db2.gz AAGLTAIDMOBYCJ-QMTHXVAHSA-N 1 0 251.326 1.691 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)[C@@H]1C ZINC001204278750 916590267 /nfs/dbraw/zinc/59/02/67/916590267.db2.gz JLGGFNZPODGMFQ-MFKMUULPSA-N 1 0 279.336 1.871 20 10 CDCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3c([O-])cccc3F)C[C@@H]2C1 ZINC001137834442 936417809 /nfs/dbraw/zinc/41/78/09/936417809.db2.gz GXWOLDYXLDMQMC-NEPJUHHUSA-N 1 0 264.344 1.915 20 10 CDCDRO Oc1c(F)cccc1CN1CC([NH+]2CCCC2)C1 ZINC001138127888 936474950 /nfs/dbraw/zinc/47/49/50/936474950.db2.gz UNBLNOWJJLYEGB-UHFFFAOYSA-N 1 0 250.317 1.811 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088541 918147883 /nfs/dbraw/zinc/14/78/83/918147883.db2.gz JIFLUXBPHOYLDW-WDEREUQCSA-N 1 0 290.363 1.815 20 10 CDCDRO CN1CCCc2cc(C[NH+]3CC4(COC4)C3)ccc21 ZINC001138354717 936525091 /nfs/dbraw/zinc/52/50/91/936525091.db2.gz RJGRLLBNEHFAGN-UHFFFAOYSA-N 1 0 258.365 1.901 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CCOC2)cc1 ZINC000832273351 936571223 /nfs/dbraw/zinc/57/12/23/936571223.db2.gz NPOCTBLQTGRZMS-DOMZBBRYSA-N 1 0 291.395 1.295 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CCC2)cc1 ZINC000832293367 936572215 /nfs/dbraw/zinc/57/22/15/936572215.db2.gz VOTALYUXEXYDGD-AWEZNQCLSA-N 1 0 261.369 1.669 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c(O)c1 ZINC001203620752 919676305 /nfs/dbraw/zinc/67/63/05/919676305.db2.gz HNKRPCIUMWYJQZ-FZMZJTMJSA-N 1 0 265.353 1.994 20 10 CDCDRO Oc1cc(Br)ccc1C[N@H+]1CC[C@H](O)C1 ZINC000824566178 920159921 /nfs/dbraw/zinc/15/99/21/920159921.db2.gz FHAGSOIQAJYLQM-JTQLQIEISA-N 1 0 272.142 1.721 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CC(=O)N(CC)C2)c1O ZINC000391550482 936659077 /nfs/dbraw/zinc/65/90/77/936659077.db2.gz SNAMRCHICGHSSM-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO Oc1ccc(F)cc1CN1CC([NH+]2CCCC2)C1 ZINC001140055271 936674606 /nfs/dbraw/zinc/67/46/06/936674606.db2.gz PTCSSNADCKVWPR-UHFFFAOYSA-N 1 0 250.317 1.811 20 10 CDCDRO OCCC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140338130 936702936 /nfs/dbraw/zinc/70/29/36/936702936.db2.gz WCPUEBRXCUVIKI-UHFFFAOYSA-N 1 0 284.787 1.546 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCN(CC(N)=O)C(C)(C)C2)c1 ZINC001140623572 936732206 /nfs/dbraw/zinc/73/22/06/936732206.db2.gz WBMREXSEQDMANH-UHFFFAOYSA-N 1 0 291.395 1.082 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001140850223 936764536 /nfs/dbraw/zinc/76/45/36/936764536.db2.gz HBXMBQYFDUJHPT-HNNXBMFYSA-N 1 0 294.395 1.432 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](O)CO)c(O)c1 ZINC001140853449 936764648 /nfs/dbraw/zinc/76/46/48/936764648.db2.gz YDVAPJNEAYQZCS-AWEZNQCLSA-N 1 0 282.384 1.023 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](O)C2)c(OC)c1 ZINC001141031250 936795129 /nfs/dbraw/zinc/79/51/29/936795129.db2.gz AELWHYGMRFZQPA-LLVKDONJSA-N 1 0 281.352 1.756 20 10 CDCDRO Oc1cccc(Br)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000706855341 923099800 /nfs/dbraw/zinc/09/98/00/923099800.db2.gz DQCZZEOOQZIPGN-UWVGGRQHSA-N 1 0 297.196 1.806 20 10 CDCDRO CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[NH2+]1 ZINC000707553435 923168864 /nfs/dbraw/zinc/16/88/64/923168864.db2.gz XSRBPAHCAVTNQS-NSHDSACASA-N 1 0 264.325 1.168 20 10 CDCDRO CN1CCOc2cc(C[N@H+](C)[C@H]3CCOC3)ccc21 ZINC001141144307 936819409 /nfs/dbraw/zinc/81/94/09/936819409.db2.gz ZCFDLJLRCUCGJA-ZDUSSCGKSA-N 1 0 262.353 1.736 20 10 CDCDRO C[C@@]1(O)CCCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156860 936821361 /nfs/dbraw/zinc/82/13/61/936821361.db2.gz VQKSWAZHOIAZPS-CQSZACIVSA-N 1 0 251.326 1.835 20 10 CDCDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@H]2C1 ZINC001141162594 936823749 /nfs/dbraw/zinc/82/37/49/936823749.db2.gz WRSPDIQWWCWEOI-OKILXGFUSA-N 1 0 276.380 1.871 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000922942904 923383159 /nfs/dbraw/zinc/38/31/59/923383159.db2.gz WNPVQKLMNHROCW-OAHLLOKOSA-N 1 0 264.369 1.648 20 10 CDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000227981990 936842784 /nfs/dbraw/zinc/84/27/84/936842784.db2.gz NDMYGBJYQKDGIV-RHSMWYFYSA-N 1 0 290.407 1.916 20 10 CDCDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)[NH+](C)C ZINC000838685865 936886217 /nfs/dbraw/zinc/88/62/17/936886217.db2.gz WNETWVXJRTYDRY-NSHDSACASA-N 1 0 265.357 1.484 20 10 CDCDRO CCCOc1ccc(N(CC[NH3+])CCO)c(F)c1 ZINC001163836329 924299453 /nfs/dbraw/zinc/29/94/53/924299453.db2.gz SEHAFSJQJSOJKI-UHFFFAOYSA-N 1 0 256.321 1.372 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840932123 936968955 /nfs/dbraw/zinc/96/89/55/936968955.db2.gz NLXGYBDHKRTPSG-UHFFFAOYSA-N 1 0 299.440 1.090 20 10 CDCDRO CCOc1ccc(C[NH2+]CCNCCOC)c(O)c1 ZINC000841047532 936972998 /nfs/dbraw/zinc/97/29/98/936972998.db2.gz DPLSDHCAYOKCIZ-UHFFFAOYSA-N 1 0 268.357 1.117 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105427 936975769 /nfs/dbraw/zinc/97/57/69/936975769.db2.gz MPTVRRLFWWSBAD-AWEZNQCLSA-N 1 0 250.317 1.859 20 10 CDCDRO [NH3+]CCN(C(=O)C=Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001142277426 936999301 /nfs/dbraw/zinc/99/93/01/936999301.db2.gz NKNWEXCCQISBOK-ZZXKWVIFSA-N 1 0 274.299 1.554 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC2CC[NH2+]CC2)cc1F ZINC000841758285 937014034 /nfs/dbraw/zinc/01/40/34/937014034.db2.gz AIEJDOCRIBWWPS-UHFFFAOYSA-N 1 0 294.374 1.443 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000841718858 937012934 /nfs/dbraw/zinc/01/29/34/937012934.db2.gz CZXLIIHPYZAMKB-AWEZNQCLSA-N 1 0 290.411 1.694 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(Cl)cc1O ZINC000841765271 937013698 /nfs/dbraw/zinc/01/36/98/937013698.db2.gz WYTLMGVPBKQZRF-KOLCDFICSA-N 1 0 272.776 1.619 20 10 CDCDRO OCCC[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142508674 937024688 /nfs/dbraw/zinc/02/46/88/937024688.db2.gz HKLYZVYHOHMRBS-UHFFFAOYSA-N 1 0 286.322 1.170 20 10 CDCDRO C[NH+]1CCC(C)(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000780766793 937204287 /nfs/dbraw/zinc/20/42/87/937204287.db2.gz IHWZXHCPJHYLMM-UHFFFAOYSA-N 1 0 268.382 1.915 20 10 CDCDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001169580828 928230166 /nfs/dbraw/zinc/23/01/66/928230166.db2.gz YSRGJSPUTYNUBA-GFCCVEGCSA-N 1 0 264.325 1.198 20 10 CDCDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC001169586998 928237550 /nfs/dbraw/zinc/23/75/50/928237550.db2.gz OKUNYLKYOXGHRC-OAHLLOKOSA-N 1 0 275.396 1.853 20 10 CDCDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000776811605 928405640 /nfs/dbraw/zinc/40/56/40/928405640.db2.gz BGDXFKKIPGENAK-DZGCQCFKSA-N 1 0 281.352 1.302 20 10 CDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000776868585 928528080 /nfs/dbraw/zinc/52/80/80/928528080.db2.gz IQXHETLBPIKTFF-JGGQBBKZSA-N 1 0 295.379 1.863 20 10 CDCDRO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1O ZINC000858549664 928882768 /nfs/dbraw/zinc/88/27/68/928882768.db2.gz YJQSJHWTQCSTOA-OCCSQVGLSA-N 1 0 264.369 1.500 20 10 CDCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnccn1 ZINC000817938539 930636552 /nfs/dbraw/zinc/63/65/52/930636552.db2.gz MRAQUXNDJLLKPD-WFASDCNBSA-N 1 0 285.395 1.893 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000817940806 930637730 /nfs/dbraw/zinc/63/77/30/930637730.db2.gz KWOZKUNORLGQMU-LLVKDONJSA-N 1 0 292.379 1.829 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CCO1 ZINC000817944303 930642357 /nfs/dbraw/zinc/64/23/57/930642357.db2.gz ZAZRVSYAPNGRNO-INWMFGNUSA-N 1 0 277.412 1.910 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000817968946 930653869 /nfs/dbraw/zinc/65/38/69/930653869.db2.gz ZUAWJBHZRJNERJ-NSHDSACASA-N 1 0 290.363 1.749 20 10 CDCDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)Cn1cccn1 ZINC000819094201 930756622 /nfs/dbraw/zinc/75/66/22/930756622.db2.gz BMTBKHRXHBMJTH-QGZVFWFLSA-N 1 0 298.390 1.410 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C/C=C\CO)c1O ZINC000717524650 931053420 /nfs/dbraw/zinc/05/34/20/931053420.db2.gz HKAHBMNVZMCYQH-IHWYPQMZSA-N 1 0 257.717 1.692 20 10 CDCDRO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccccc1O ZINC001116761896 937470447 /nfs/dbraw/zinc/47/04/47/937470447.db2.gz TTZYRGVIURRIID-JTQLQIEISA-N 1 0 274.324 1.365 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000824893604 931486358 /nfs/dbraw/zinc/48/63/58/931486358.db2.gz WOHJNKSDRAPGRE-SWLSCSKDSA-N 1 0 276.380 1.927 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC[C@H]2OCC)c1 ZINC000825196771 931496222 /nfs/dbraw/zinc/49/62/22/931496222.db2.gz OWMJCGKVZNIBFC-UKRRQHHQSA-N 1 0 281.352 1.684 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825197581 931496516 /nfs/dbraw/zinc/49/65/16/931496516.db2.gz ZSRBOVOXAOXPRX-PSOPSSQASA-N 1 0 281.352 1.855 20 10 CDCDRO Oc1cc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC001144509150 931874077 /nfs/dbraw/zinc/87/40/77/931874077.db2.gz MQGUBQNPVQFYNV-JTQLQIEISA-N 1 0 264.325 1.083 20 10 CDCDRO C[C@H]([NH2+]CC1OCCO1)c1ccc(N2CCOCC2)cc1 ZINC000777722496 933189670 /nfs/dbraw/zinc/18/96/70/933189670.db2.gz TZPKYUHOBLLBGL-ZDUSSCGKSA-N 1 0 292.379 1.547 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCN1CC[C@H](O)C1 ZINC001118866560 937673904 /nfs/dbraw/zinc/67/39/04/937673904.db2.gz ZKTYLNVPKDJFLH-IHRRRGAJSA-N 1 0 290.407 1.905 20 10 CDCDRO CCOC(=O)CC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001258478399 934906161 /nfs/dbraw/zinc/90/61/61/934906161.db2.gz SAUJJAKPDPCWGA-NSHDSACASA-N 1 0 281.352 1.962 20 10 CDCDRO Cc1cccc(CNc2cc3c(nn2)CC[NH2+]C3)c1O ZINC001160769228 938825766 /nfs/dbraw/zinc/82/57/66/938825766.db2.gz BKCNOQDSVIRANK-UHFFFAOYSA-N 1 0 270.336 1.748 20 10 CDCDRO COCC(=O)N[C@H](C)c1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC001164286551 939447071 /nfs/dbraw/zinc/44/70/71/939447071.db2.gz RPCIXTRHWYIAMS-DGCLKSJQSA-N 1 0 277.368 1.048 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CC12CC2 ZINC001203601664 939695457 /nfs/dbraw/zinc/69/54/57/939695457.db2.gz GCCGDKRPCFDENQ-LBPRGKRZSA-N 1 0 291.347 1.786 20 10 CDCDRO COc1ccc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001203627577 939697930 /nfs/dbraw/zinc/69/79/30/939697930.db2.gz JSRSSGFSUBTLME-CYBMUJFWSA-N 1 0 292.379 1.306 20 10 CDCDRO CCC[NH+]1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203880442 939711125 /nfs/dbraw/zinc/71/11/25/939711125.db2.gz AUWOCDITHOZETD-UHFFFAOYSA-N 1 0 250.342 1.625 20 10 CDCDRO OCC[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882786 939711375 /nfs/dbraw/zinc/71/13/75/939711375.db2.gz VLMUZHPVICUJAD-NSHDSACASA-N 1 0 251.326 1.692 20 10 CDCDRO CCOC(=O)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204276852 939751618 /nfs/dbraw/zinc/75/16/18/939751618.db2.gz SLWDGPRCLKXFGJ-UHFFFAOYSA-N 1 0 279.336 1.873 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@H](OC)C2)cc(O)c1O ZINC001204343501 939757400 /nfs/dbraw/zinc/75/74/00/939757400.db2.gz RZCHOLPNSYDLEN-JTQLQIEISA-N 1 0 253.298 1.327 20 10 CDCDRO COc1cc(C)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075540 939975557 /nfs/dbraw/zinc/97/55/57/939975557.db2.gz RAGPVCHEWWEARH-ZWNOBZJWSA-N 1 0 250.342 1.488 20 10 CDCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(O)cc1O ZINC001276616563 940437471 /nfs/dbraw/zinc/43/74/71/940437471.db2.gz FNVIWMCJACJISQ-PHIMTYICSA-N 1 0 298.770 1.266 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(O)c1 ZINC000179470757 940826565 /nfs/dbraw/zinc/82/65/65/940826565.db2.gz NYXQOROPPYBVHU-CYBMUJFWSA-N 1 0 288.351 1.829 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001220680435 941464153 /nfs/dbraw/zinc/46/41/53/941464153.db2.gz BPLWWWRZZPHLCJ-FICVDOATSA-N 1 0 273.380 1.601 20 10 CDCDRO CCOc1ccc(CN2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001276815642 941466723 /nfs/dbraw/zinc/46/67/23/941466723.db2.gz XHGBUPYAKVJFGK-GASCZTMLSA-N 1 0 292.379 1.306 20 10 CDCDRO NC(=O)[C@@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277193143 942157344 /nfs/dbraw/zinc/15/73/44/942157344.db2.gz YVZDJQGYQQYEOK-BBRMVZONSA-N 1 0 290.363 1.575 20 10 CDCDRO NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001277457974 942627582 /nfs/dbraw/zinc/62/75/82/942627582.db2.gz NPNOJESMQPYCAC-NOZJJQNGSA-N 1 0 266.728 1.353 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)c1 ZINC001277463383 942675845 /nfs/dbraw/zinc/67/58/45/942675845.db2.gz KGRAXPQOFREXRE-CYBMUJFWSA-N 1 0 290.363 1.488 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)cc1O ZINC001231632745 942948274 /nfs/dbraw/zinc/94/82/74/942948274.db2.gz BWHNDLZSDIWWRL-PWSUYJOCSA-N 1 0 279.336 1.575 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(O)cc1O ZINC001231634200 942949213 /nfs/dbraw/zinc/94/92/13/942949213.db2.gz JHTGJHWLBRFTHP-KOLCDFICSA-N 1 0 267.325 1.452 20 10 CDCDRO COc1cc(CN2C[C@H]3CCC[N@H+](C)[C@H]3C2)c(O)cc1O ZINC001231639306 942956709 /nfs/dbraw/zinc/95/67/09/942956709.db2.gz ORBLLBBAFOVEFA-YPMHNXCESA-N 1 0 292.379 1.632 20 10 CDCDRO COC(=O)CN1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231846213 943026314 /nfs/dbraw/zinc/02/63/14/943026314.db2.gz IBPRTWMZSPGVNF-UHFFFAOYSA-N 1 0 292.379 1.300 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231854053 943030582 /nfs/dbraw/zinc/03/05/82/943030582.db2.gz XOAPRKPUDSPQFC-UHFFFAOYSA-N 1 0 279.384 1.329 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCCOCC2)cc1Cl ZINC001232258922 943191229 /nfs/dbraw/zinc/19/12/29/943191229.db2.gz DMEBHDVZGWQYNO-UHFFFAOYSA-N 1 0 257.717 1.974 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c(O)c1 ZINC001232833523 943410782 /nfs/dbraw/zinc/41/07/82/943410782.db2.gz ALUWICFEMKUXLE-AAEUAGOBSA-N 1 0 282.359 1.611 20 10 CDCDRO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC001233451703 943587602 /nfs/dbraw/zinc/58/76/02/943587602.db2.gz VYRPEYPSTXILFT-SNVBAGLBSA-N 1 0 261.243 1.978 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233487665 943595057 /nfs/dbraw/zinc/59/50/57/943595057.db2.gz NKPFEVJAMYNFEL-SNVBAGLBSA-N 1 0 295.335 1.579 20 10 CDCDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233486892 943596039 /nfs/dbraw/zinc/59/60/39/943596039.db2.gz HJNSFQJMEMVNGV-CMPLNLGQSA-N 1 0 278.352 1.329 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233950044 943699299 /nfs/dbraw/zinc/69/92/99/943699299.db2.gz RNMIEVMRDGPMPS-JTQLQIEISA-N 1 0 289.335 1.903 20 10 CDCDRO Cc1ccc(C)c(CN2CCNC[C@]23CC[NH2+]C3)c1O ZINC001234988132 943997449 /nfs/dbraw/zinc/99/74/49/943997449.db2.gz QGWGGYVJHHGGGR-MRXNPFEDSA-N 1 0 275.396 1.146 20 10 CDCDRO CCOc1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235992619 944359146 /nfs/dbraw/zinc/35/91/46/944359146.db2.gz PUWFLDISQQYLBQ-DOMZBBRYSA-N 1 0 262.353 1.714 20 10 CDCDRO c1cc(N2CCCC2)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236295686 944453783 /nfs/dbraw/zinc/45/37/83/944453783.db2.gz YSDYMANRISYLBH-HOCLYGCPSA-N 1 0 257.381 1.690 20 10 CDCDRO CC1(C)C=Cc2c(O)c(CN3C[C@H]4C[NH2+]C[C@H]43)ccc2O1 ZINC001236298560 944456354 /nfs/dbraw/zinc/45/63/54/944456354.db2.gz TWALSSCDXHJQKD-TZMCWYRMSA-N 1 0 286.375 1.980 20 10 CDCDRO Oc1c(CN2C[C@H]3C[NH2+]C[C@@H]32)cccc1OC(F)(F)F ZINC001236298447 944457836 /nfs/dbraw/zinc/45/78/36/944457836.db2.gz UMISAFAJCISIIT-ZJUUUORDSA-N 1 0 288.269 1.694 20 10 CDCDRO C[C@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@H](C)[NH2+]1 ZINC001236579860 944516330 /nfs/dbraw/zinc/51/63/30/944516330.db2.gz WZJCYPJBPXQLOO-IUCAKERBSA-N 1 0 270.760 1.933 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001237050680 944646570 /nfs/dbraw/zinc/64/65/70/944646570.db2.gz UILBWMLKKGZNRZ-HOTGVXAUSA-N 1 0 295.379 1.356 20 10 CDCDRO CCOC(=O)CN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237483749 944810924 /nfs/dbraw/zinc/81/09/24/944810924.db2.gz SMYDOJPIAHKVGE-UHFFFAOYSA-N 1 0 292.379 1.381 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(CCF)CC1 ZINC001237487699 944813971 /nfs/dbraw/zinc/81/39/71/944813971.db2.gz LOUTWZNAHLMULL-UHFFFAOYSA-N 1 0 252.333 1.788 20 10 CDCDRO CC[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC001262603849 946758656 /nfs/dbraw/zinc/75/86/56/946758656.db2.gz XCUCKBQIJGLVFR-TZMCWYRMSA-N 1 0 276.384 1.538 20 10 CDCDRO COC1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001255441856 947896713 /nfs/dbraw/zinc/89/67/13/947896713.db2.gz CLSQIKBSQAHFEU-KOHJWAIASA-N 1 0 281.352 1.678 20 10 CDCDRO C[C@H]1CC[C@H](NCC(=O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246286624 948079312 /nfs/dbraw/zinc/07/93/12/948079312.db2.gz CWUSJFZYIYDDHN-ONGXEEELSA-N 1 0 264.325 1.011 20 10 CDCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+]Cc1ccccc1O ZINC001256320772 948269385 /nfs/dbraw/zinc/26/93/85/948269385.db2.gz XTKDVKOCKSADEZ-LBPRGKRZSA-N 1 0 278.352 1.119 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)C1CCS(=O)(=O)CC1 ZINC001256391412 948296620 /nfs/dbraw/zinc/29/66/20/948296620.db2.gz AEVUTRQFGFXDRR-UHFFFAOYSA-N 1 0 283.393 1.791 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001257081345 948522389 /nfs/dbraw/zinc/52/23/89/948522389.db2.gz OSLWZQYPXDIUGV-PEGIJTEDSA-N 1 0 279.336 1.826 20 10 CDCDRO Oc1ccc(C[NH2+]C[C@H](O)COCc2ccco2)cc1O ZINC001252657805 951544583 /nfs/dbraw/zinc/54/45/83/951544583.db2.gz XZTRROGOWFNYMU-LBPRGKRZSA-N 1 0 293.319 1.358 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001252828755 951669661 /nfs/dbraw/zinc/66/96/61/951669661.db2.gz UOIXCHUXAHVPNT-AWEZNQCLSA-N 1 0 261.321 1.642 20 10 CDCDRO C[C@@H](C[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325318387 953833020 /nfs/dbraw/zinc/83/30/20/953833020.db2.gz HEARXTTYGIKWEA-LBPRGKRZSA-N 1 0 280.391 1.014 20 10 CDCDRO CN1CCN(c2ccc(CN3CC[C@@H]([NH3+])C3)cc2F)CC1 ZINC001326221721 954272015 /nfs/dbraw/zinc/27/20/15/954272015.db2.gz JSODVDCJGBGDIP-CQSZACIVSA-N 1 0 292.402 1.111 20 10 CDCDRO COc1cc(C)c(C[NH2+]CCOCCF)c(O)c1 ZINC001308880464 956591652 /nfs/dbraw/zinc/59/16/52/956591652.db2.gz JCOHXKCNEZWGNV-UHFFFAOYSA-N 1 0 257.305 1.785 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CNCCO1 ZINC001331835571 957290269 /nfs/dbraw/zinc/29/02/69/957290269.db2.gz RIBGSHBEUZESPV-AGIUHOORSA-N 1 0 276.380 1.827 20 10 CDCDRO Nc1ccc(CNC(=O)CCSCCC[NH3+])cc1 ZINC001343579318 964049122 /nfs/dbraw/zinc/04/91/22/964049122.db2.gz ZXFJEAWYXFZWPL-UHFFFAOYSA-N 1 0 267.398 1.357 20 10 CDCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001343801883 964147787 /nfs/dbraw/zinc/14/77/87/964147787.db2.gz YYZURYUXKPCYFX-FVQHAEBGSA-N 1 0 272.392 1.957 20 10 CDCDRO Nc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001345159480 964611038 /nfs/dbraw/zinc/61/10/38/964611038.db2.gz HPEKORPOEXBLFF-OAHLLOKOSA-N 1 0 261.369 1.175 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3F)cc2)CC1 ZINC001528572921 968878210 /nfs/dbraw/zinc/87/82/10/968878210.db2.gz XHFSDOHSUYAZII-CABCVRRESA-N 1 0 291.370 1.413 20 10 CDCDRO CC[N@H+](C)C[C@H](O)CSc1ncc(C(=O)OC)s1 ZINC000848674071 969230746 /nfs/dbraw/zinc/23/07/46/969230746.db2.gz KCJOKJDNUHYOJC-QMMMGPOBSA-N 1 0 290.410 1.334 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCC[NH3+] ZINC001573876880 1170814450 /nfs/dbraw/zinc/81/44/50/1170814450.db2.gz XOSMIWIYPJKRJH-UHFFFAOYSA-N 1 0 275.396 1.984 20 10 CDCDRO COc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000179952829 342515079 /nfs/dbraw/zinc/51/50/79/342515079.db2.gz LQWPIZKBPWWPBR-CYBMUJFWSA-N 1 0 262.353 1.681 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000092455975 342412561 /nfs/dbraw/zinc/41/25/61/342412561.db2.gz JKUTUIRFTPKTIE-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccccc2O)C1 ZINC000294994395 199289558 /nfs/dbraw/zinc/28/95/58/199289558.db2.gz HVDPHFYSYJEIGF-HNNXBMFYSA-N 1 0 279.336 1.404 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000032105772 356774112 /nfs/dbraw/zinc/77/41/12/356774112.db2.gz IEWCEXNNVVZXLU-GFCCVEGCSA-N 1 0 250.342 1.198 20 10 CDCDRO COC(=O)[C@@]1(C)CCCN1Cc1cccc(OC)c1O ZINC000189985462 358048403 /nfs/dbraw/zinc/04/84/03/358048403.db2.gz PVWNAFFMUYAIPZ-OAHLLOKOSA-N 1 0 279.336 1.928 20 10 CDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000192805205 358238290 /nfs/dbraw/zinc/23/82/90/358238290.db2.gz OXPIJWPPFZOZKK-LSDHHAIUSA-N 1 0 291.439 1.640 20 10 CDCDRO COCCC[N@H+](CCO)Cc1ccc(N(C)C)c(C)c1 ZINC000294755170 199168424 /nfs/dbraw/zinc/16/84/24/199168424.db2.gz XXVKMQKIRJGATG-UHFFFAOYSA-N 1 0 280.412 1.892 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2CCOCC2)c1 ZINC000104187266 358949742 /nfs/dbraw/zinc/94/97/42/358949742.db2.gz LZDVUQXRZHVSKI-UHFFFAOYSA-N 1 0 251.326 1.917 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCN1CCSCC1 ZINC000226619638 359705897 /nfs/dbraw/zinc/70/58/97/359705897.db2.gz BYBIQHAOHITYRB-UHFFFAOYSA-N 1 0 270.373 1.670 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000230663249 360336134 /nfs/dbraw/zinc/33/61/34/360336134.db2.gz YYMAIIZEZUQQON-VXGBXAGGSA-N 1 0 253.342 1.749 20 10 CDCDRO CCC[N@H+](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437003111 361636992 /nfs/dbraw/zinc/63/69/92/361636992.db2.gz AYQBLOXPYCFJHA-UHFFFAOYSA-N 1 0 291.395 1.820 20 10 CDCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000281567919 363814649 /nfs/dbraw/zinc/81/46/49/363814649.db2.gz KGXRHSIAQCVCIR-WDEREUQCSA-N 1 0 269.341 1.449 20 10 CDCDRO COCC(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000291673193 365059566 /nfs/dbraw/zinc/05/95/66/365059566.db2.gz GTZHCULEABGIQI-UHFFFAOYSA-N 1 0 267.325 1.883 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCN(C[C@H](C)O)C[C@H]2C)c1 ZINC000284438840 368521269 /nfs/dbraw/zinc/52/12/69/368521269.db2.gz SOVZHKZEOPJMBT-KGLIPLIRSA-N 1 0 278.396 1.588 20 10 CDCDRO CCOc1cccc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC000134178752 369524617 /nfs/dbraw/zinc/52/46/17/369524617.db2.gz GREVJKYBIKNNAP-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000175633231 261236076 /nfs/dbraw/zinc/23/60/76/261236076.db2.gz FTEYUTGULPFHRY-UHFFFAOYSA-N 1 0 282.315 1.302 20 10 CDCDRO COCCN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000120863002 390876895 /nfs/dbraw/zinc/87/68/95/390876895.db2.gz YGNAZUGKKGQXLN-UHFFFAOYSA-N 1 0 278.396 1.773 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H](C)C2)cc1OC ZINC000371365379 390945802 /nfs/dbraw/zinc/94/58/02/390945802.db2.gz DPEAHDNEGZMSSN-NSHDSACASA-N 1 0 281.352 1.878 20 10 CDCDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000217387448 390908440 /nfs/dbraw/zinc/90/84/40/390908440.db2.gz VWUNMWVYNBHFCP-LLVKDONJSA-N 1 0 280.368 1.941 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000373738392 391130432 /nfs/dbraw/zinc/13/04/32/391130432.db2.gz OUOLCIRVARQHHR-YUTCNCBUSA-N 1 0 274.364 1.786 20 10 CDCDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccccc1O ZINC000179578856 391212955 /nfs/dbraw/zinc/21/29/55/391212955.db2.gz LMQNORYLFRIONK-GFCCVEGCSA-N 1 0 281.377 1.873 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000188469891 391404751 /nfs/dbraw/zinc/40/47/51/391404751.db2.gz GRICZDFKISZAKV-LLVKDONJSA-N 1 0 262.353 1.578 20 10 CDCDRO CC(C)NC(=O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124640964 391397677 /nfs/dbraw/zinc/39/76/77/391397677.db2.gz NJLVATKAENJSEH-UHFFFAOYSA-N 1 0 256.733 1.660 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000051994805 260209929 /nfs/dbraw/zinc/20/99/29/260209929.db2.gz OFUUQZOZBPWCMX-JSGCOSHPSA-N 1 0 251.326 1.794 20 10 CDCDRO OC[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000090282303 260253831 /nfs/dbraw/zinc/25/38/31/260253831.db2.gz HIDJNIMSGHBOKZ-HNNXBMFYSA-N 1 0 264.369 1.120 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCCC(=O)NC2CC2)c1 ZINC000092987185 260272659 /nfs/dbraw/zinc/27/26/59/260272659.db2.gz NRYAWNBRIQHDSO-UHFFFAOYSA-N 1 0 278.352 1.549 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000154992467 261096698 /nfs/dbraw/zinc/09/66/98/261096698.db2.gz OAGOCKXYPOGORI-GFCCVEGCSA-N 1 0 279.359 1.589 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000157159982 261141359 /nfs/dbraw/zinc/14/13/59/261141359.db2.gz ASXHBPFXXRXYSV-MRVPVSSYSA-N 1 0 254.717 1.353 20 10 CDCDRO CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccccc1O ZINC000157914510 261155721 /nfs/dbraw/zinc/15/57/21/261155721.db2.gz JRPBJFOPCLGIJM-GFCCVEGCSA-N 1 0 288.351 1.586 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC000168191524 261411503 /nfs/dbraw/zinc/41/15/03/261411503.db2.gz YNDLLXRSCJYQTN-XLFHBGCDSA-N 1 0 257.355 1.257 20 10 CDCDRO C[C@@H]([NH2+]CC1(CO)COC1)c1cc(Cl)ccc1O ZINC000186146054 262081651 /nfs/dbraw/zinc/08/16/51/262081651.db2.gz MHQJPVTZKSCTQH-SECBINFHSA-N 1 0 271.744 1.705 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1 ZINC000186510981 262096356 /nfs/dbraw/zinc/09/63/56/262096356.db2.gz NCJAQSSMIATUNA-LLVKDONJSA-N 1 0 288.351 1.504 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1OC ZINC000272529802 263006062 /nfs/dbraw/zinc/00/60/62/263006062.db2.gz AYRYDNFYMLKIOJ-NWANDNLSSA-N 1 0 281.352 1.683 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1F ZINC000368348564 267165223 /nfs/dbraw/zinc/16/52/23/267165223.db2.gz MWUGNMYKGMYHGZ-ITGUQSILSA-N 1 0 264.344 1.562 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000371241874 267377363 /nfs/dbraw/zinc/37/73/63/267377363.db2.gz DQOWVZCEWGPSHD-INIZCTEOSA-N 1 0 287.407 1.802 20 10 CDCDRO CC(C)N1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000297002646 275642699 /nfs/dbraw/zinc/64/26/99/275642699.db2.gz SUPDBABVRGRJES-QWHCGFSZSA-N 1 0 274.364 1.978 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000280427329 276883419 /nfs/dbraw/zinc/88/34/19/276883419.db2.gz ZXKLBPQYOIJJHP-GJZGRUSLSA-N 1 0 278.396 1.487 20 10 CDCDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000275112582 279575160 /nfs/dbraw/zinc/57/51/60/279575160.db2.gz DDPSZJTXHQBWFV-ZDUSSCGKSA-N 1 0 295.402 1.390 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290601043 328259852 /nfs/dbraw/zinc/25/98/52/328259852.db2.gz VXEPAHUMUSNUTL-NSHDSACASA-N 1 0 299.392 1.315 20 10 CDCDRO CCn1nncc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000527917208 330295171 /nfs/dbraw/zinc/29/51/71/330295171.db2.gz RNIZQFJFPOOEQK-GFCCVEGCSA-N 1 0 258.325 1.781 20 10 CDCDRO CC(C)(CNC(=O)c1cccc(O)c1O)C[NH+]1CCCC1 ZINC000276721704 519263597 /nfs/dbraw/zinc/26/35/97/519263597.db2.gz AOPUJSDCLCCWOZ-UHFFFAOYSA-N 1 0 292.379 1.950 20 10 CDCDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292158587 519626378 /nfs/dbraw/zinc/62/63/78/519626378.db2.gz VXZYNBKZWHTKHP-WAFBPQNNSA-N 1 0 292.379 1.956 20 10 CDCDRO CC(C)[N@@H+]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000280431542 519674899 /nfs/dbraw/zinc/67/48/99/519674899.db2.gz JFJZDLUDTINIPD-UHFFFAOYSA-N 1 0 278.352 1.654 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000037782216 521367825 /nfs/dbraw/zinc/36/78/25/521367825.db2.gz LVEUYSGDGCNBOX-LBPRGKRZSA-N 1 0 292.379 1.891 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCN2CCOCC2)cc1F ZINC000130718782 522170563 /nfs/dbraw/zinc/17/05/63/522170563.db2.gz KGVHSKIAFOIMSP-UHFFFAOYSA-N 1 0 295.402 1.656 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1 ZINC000126038593 522182630 /nfs/dbraw/zinc/18/26/30/522182630.db2.gz ZGZHJOWHNAVMIQ-UHFFFAOYSA-N 1 0 299.422 1.808 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCCc2cnn(C)n2)cc1F ZINC000293035190 522205835 /nfs/dbraw/zinc/20/58/35/522205835.db2.gz RWJPJQRNVNULMK-UHFFFAOYSA-N 1 0 291.374 1.743 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC2=CCCOC2)cc1OC ZINC000290153127 522778775 /nfs/dbraw/zinc/77/87/75/522778775.db2.gz LFQSYZCSKWJJCB-UHFFFAOYSA-N 1 0 279.336 1.846 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H](O)COC)c1ccc(C)cc1O ZINC000280245559 522861877 /nfs/dbraw/zinc/86/18/77/522861877.db2.gz WGKSXEGTNDHLDC-WCQYABFASA-N 1 0 253.342 1.749 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070254399 523380734 /nfs/dbraw/zinc/38/07/34/523380734.db2.gz CGGBPSDMWPWCIO-ZDUSSCGKSA-N 1 0 274.364 1.740 20 10 CDCDRO C[NH+](C)C1(CNC(=O)c2c(F)ccc(O)c2O)CCCC1 ZINC000276613837 524036747 /nfs/dbraw/zinc/03/67/47/524036747.db2.gz SWRCBBXBVUUYLB-UHFFFAOYSA-N 1 0 296.342 1.841 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1C ZINC000068801814 524071908 /nfs/dbraw/zinc/07/19/08/524071908.db2.gz OOZNREODAGRRSX-OAHLLOKOSA-N 1 0 277.412 1.339 20 10 CDCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880079 524953579 /nfs/dbraw/zinc/95/35/79/524953579.db2.gz DXPYSSNJECRAGV-JTQLQIEISA-N 1 0 275.308 1.496 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000279725858 525099158 /nfs/dbraw/zinc/09/91/58/525099158.db2.gz VEJVNZPXLORROS-UHFFFAOYSA-N 1 0 273.329 1.198 20 10 CDCDRO COc1cccc(C[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000280521695 526014391 /nfs/dbraw/zinc/01/43/91/526014391.db2.gz BBZCCXAYUGLUKE-IBGZPJMESA-N 1 0 283.393 1.792 20 10 CDCDRO Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000041159004 527218195 /nfs/dbraw/zinc/21/81/95/527218195.db2.gz FPNNUEODXCRWJY-UHFFFAOYSA-N 1 0 286.379 1.547 20 10 CDCDRO Nc1ccc(CC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000374597802 527476941 /nfs/dbraw/zinc/47/69/41/527476941.db2.gz VCMVTHBFANYMER-NWANDNLSSA-N 1 0 273.380 1.397 20 10 CDCDRO NC(=O)Cc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000727470782 574584896 /nfs/dbraw/zinc/58/48/96/574584896.db2.gz MHCRDNNVQAFADW-UHFFFAOYSA-N 1 0 270.332 1.710 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000734163187 575161088 /nfs/dbraw/zinc/16/10/88/575161088.db2.gz BMGDDTWMELNBBN-LBPRGKRZSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H](O)C2CC2)c(O)c1 ZINC000734844602 575387099 /nfs/dbraw/zinc/38/70/99/575387099.db2.gz QKPRTKRKIUWCRR-AWEZNQCLSA-N 1 0 251.326 1.651 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)cc1 ZINC000773887979 575817760 /nfs/dbraw/zinc/81/77/60/575817760.db2.gz KLFZFXBEWTVIRM-UONOGXRCSA-N 1 0 280.412 1.706 20 10 CDCDRO CCOc1ccc(C[N@H+](CCO)C2CC2)c(O)c1 ZINC000768330462 576271999 /nfs/dbraw/zinc/27/19/99/576271999.db2.gz SPKBZCRPXNQONJ-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CN1CC[C@@H]([N@H+](C)Cc2cc3c(cc2O)CCCC3)C1=O ZINC000768445751 576284206 /nfs/dbraw/zinc/28/42/06/576284206.db2.gz IWAAARIILVKRDM-OAHLLOKOSA-N 1 0 288.391 1.934 20 10 CDCDRO COc1cc(C[N@H+](C)[C@@H]2CCOC2)c(O)cc1C ZINC000768452063 576285109 /nfs/dbraw/zinc/28/51/09/576285109.db2.gz NTUCBCFBRNMIFM-GFCCVEGCSA-N 1 0 251.326 1.930 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000769206499 576337376 /nfs/dbraw/zinc/33/73/76/576337376.db2.gz NMYHTLVKGKCHIC-HNNXBMFYSA-N 1 0 273.380 1.559 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000742375017 576598512 /nfs/dbraw/zinc/59/85/12/576598512.db2.gz KUHPGLPMUBVXQN-NWDGAFQWSA-N 1 0 264.369 1.973 20 10 CDCDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(F)ccc1O ZINC000757658582 577048819 /nfs/dbraw/zinc/04/88/19/577048819.db2.gz HXRAJMWJFPNXNA-QMTHXVAHSA-N 1 0 283.343 1.969 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1F ZINC000757978607 577064805 /nfs/dbraw/zinc/06/48/05/577064805.db2.gz NRKPDUTYMBBHLW-CQSZACIVSA-N 1 0 268.332 1.133 20 10 CDCDRO CC(C)([NH3+])CCNC(=O)NCCc1ccc(N)cc1 ZINC000892039137 617434151 /nfs/dbraw/zinc/43/41/51/617434151.db2.gz PUZPZSSRYKNILG-UHFFFAOYSA-N 1 0 264.373 1.238 20 10 CDCDRO C[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000891524585 617461205 /nfs/dbraw/zinc/46/12/05/617461205.db2.gz NAVHUZHVYFZYMU-UHFFFAOYSA-N 1 0 297.786 1.939 20 10 CDCDRO C[C@H]1CC[N@H+](CCNC(=O)NCc2ccccc2O)C1 ZINC000892527085 617477557 /nfs/dbraw/zinc/47/75/57/617477557.db2.gz ICLDZIYVBQZRJV-LBPRGKRZSA-N 1 0 277.368 1.533 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000841652433 617509136 /nfs/dbraw/zinc/50/91/36/617509136.db2.gz DOBUMBXOAVWTJL-UHFFFAOYSA-N 1 0 276.384 1.384 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000891814584 617604297 /nfs/dbraw/zinc/60/42/97/617604297.db2.gz SKWYKZZUVGGDJS-SGMGOOAPSA-N 1 0 290.411 1.850 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000840908790 617604824 /nfs/dbraw/zinc/60/48/24/617604824.db2.gz XTVHGELWOWINKU-AWEZNQCLSA-N 1 0 275.396 1.758 20 10 CDCDRO COc1ccc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c(O)c1OC ZINC000893668984 617817912 /nfs/dbraw/zinc/81/79/12/617817912.db2.gz JGGHFSJALJQDCU-NWDGAFQWSA-N 1 0 294.395 1.934 20 10 CDCDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(OC)ccc1O ZINC000843057295 618691000 /nfs/dbraw/zinc/69/10/00/618691000.db2.gz ACIUHPMKPKIARX-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cn2cncn2)c1O ZINC000894204666 618698200 /nfs/dbraw/zinc/69/82/00/618698200.db2.gz RKIUZOCCASOHRF-NSHDSACASA-N 1 0 276.340 1.479 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])[C@@H]1OC ZINC000894466946 618903600 /nfs/dbraw/zinc/90/36/00/618903600.db2.gz QFMNWUMNPWWEOQ-SCRDCRAPSA-N 1 0 287.306 1.952 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000894497615 618918257 /nfs/dbraw/zinc/91/82/57/618918257.db2.gz NDUUCJSCLHQEPR-AAEUAGOBSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1O ZINC000894541529 618951211 /nfs/dbraw/zinc/95/12/11/618951211.db2.gz RRCHUNLQPGKVHJ-DGCLKSJQSA-N 1 0 265.353 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000894610907 618989092 /nfs/dbraw/zinc/98/90/92/618989092.db2.gz GXOSNYSJPDNISD-UHFFFAOYSA-N 1 0 299.392 1.376 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)c(O)c1OC ZINC000894865012 619108386 /nfs/dbraw/zinc/10/83/86/619108386.db2.gz CQJCXFHYDBRDDB-JTQLQIEISA-N 1 0 291.351 1.994 20 10 CDCDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894872117 619112915 /nfs/dbraw/zinc/11/29/15/619112915.db2.gz YGVZIPAXPLKKKU-SNVBAGLBSA-N 1 0 288.141 1.617 20 10 CDCDRO CCn1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2O)n1 ZINC000894894001 619128630 /nfs/dbraw/zinc/12/86/30/619128630.db2.gz LCGOIYHRPLBMEC-UHFFFAOYSA-N 1 0 291.351 1.916 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000895149503 619359454 /nfs/dbraw/zinc/35/94/54/619359454.db2.gz JCZPDZMLEVYNGR-MRXNPFEDSA-N 1 0 295.379 1.730 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC000897683775 621072384 /nfs/dbraw/zinc/07/23/84/621072384.db2.gz GSFIXDFUNKRKEH-YGRLFVJLSA-N 1 0 251.326 1.604 20 10 CDCDRO CCOc1ccc(C[NH2+]Cc2cn(C)cn2)c(O)c1 ZINC000898045471 621279653 /nfs/dbraw/zinc/27/96/53/621279653.db2.gz OROITIAXZJWTTP-UHFFFAOYSA-N 1 0 261.325 1.814 20 10 CDCDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000902631185 625060573 /nfs/dbraw/zinc/06/05/73/625060573.db2.gz VCQJCPKJXSPUGT-GFCCVEGCSA-N 1 0 265.353 1.962 20 10 CDCDRO COc1ccc(N(C)CCN(C)C[C@H]2CCC[NH2+]2)cc1 ZINC000903460648 625995754 /nfs/dbraw/zinc/99/57/54/625995754.db2.gz GVJNTAWLHBPNBU-CQSZACIVSA-N 1 0 277.412 1.815 20 10 CDCDRO C[C@H](C(=O)NCc1ccc(O)cc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000910954566 629117056 /nfs/dbraw/zinc/11/70/56/629117056.db2.gz LJBKZVKTGWEICZ-GRYCIOLGSA-N 1 0 292.379 1.975 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921749490 633264450 /nfs/dbraw/zinc/26/44/50/633264450.db2.gz KTCVHUQRJQPZAA-MRXNPFEDSA-N 1 0 279.380 1.889 20 10 CDCDRO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817958466 695344883 /nfs/dbraw/zinc/34/48/83/695344883.db2.gz JVUHJPCKSJZMCY-SKDRFNHKSA-N 1 0 267.329 1.934 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922110621 695833931 /nfs/dbraw/zinc/83/39/31/695833931.db2.gz PZJKCDUNPMIYNA-ZDUSSCGKSA-N 1 0 251.326 1.109 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840943387 695836976 /nfs/dbraw/zinc/83/69/76/695836976.db2.gz PSPHJYGDJRJWQR-CQSZACIVSA-N 1 0 252.358 1.158 20 10 CDCDRO CCOC(=O)CN(CCCO)Cc1ccccc1O ZINC000823581742 695995948 /nfs/dbraw/zinc/99/59/48/695995948.db2.gz ORNRCRPMMJEUGC-UHFFFAOYSA-N 1 0 267.325 1.140 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1c([O-])cccc1F ZINC000886521382 695182550 /nfs/dbraw/zinc/18/25/50/695182550.db2.gz ZRPZVLOHPYWCSP-DTWKUNHWSA-N 1 0 252.289 1.413 20 10 CDCDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779547134 695192465 /nfs/dbraw/zinc/19/24/65/695192465.db2.gz IYJUXJQJLIKIPR-LWSHCTJVSA-N 1 0 290.363 1.662 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000884306083 695196053 /nfs/dbraw/zinc/19/60/53/695196053.db2.gz SLRRIABXUPKYDI-HNNXBMFYSA-N 1 0 289.423 1.957 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)NCCc1ccc(N)cc1 ZINC000841955665 695301062 /nfs/dbraw/zinc/30/10/62/695301062.db2.gz JLBOOHNWDWLPDW-LLVKDONJSA-N 1 0 264.373 1.109 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000817946011 695309073 /nfs/dbraw/zinc/30/90/73/695309073.db2.gz PXYFITNLIQCGTC-NWDGAFQWSA-N 1 0 292.379 1.829 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)C2CC[NH2+]CC2)c1O ZINC000050158750 695339419 /nfs/dbraw/zinc/33/94/19/695339419.db2.gz REHWSJKQGDDECH-UHFFFAOYSA-N 1 0 280.343 1.918 20 10 CDCDRO [NH3+][C@H]1C[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000843439998 695366121 /nfs/dbraw/zinc/36/61/21/695366121.db2.gz VICWCTMEIVSRCB-DTORHVGOSA-N 1 0 271.411 1.479 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCN1CC=CCC1 ZINC000793319030 695379014 /nfs/dbraw/zinc/37/90/14/695379014.db2.gz KXOJFOJUJWPMGY-UHFFFAOYSA-N 1 0 262.353 1.752 20 10 CDCDRO COCC[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816502789 695401096 /nfs/dbraw/zinc/40/10/96/695401096.db2.gz QPJFHOVTEIBREW-UHFFFAOYSA-N 1 0 275.348 1.986 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000828666912 695423190 /nfs/dbraw/zinc/42/31/90/695423190.db2.gz JYPYJNTZOJHOBN-VXGBXAGGSA-N 1 0 292.379 1.968 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000840958857 695441769 /nfs/dbraw/zinc/44/17/69/695441769.db2.gz VLOCVPSRDYYRIJ-ZDUSSCGKSA-N 1 0 292.379 1.701 20 10 CDCDRO COc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000132235493 695457852 /nfs/dbraw/zinc/45/78/52/695457852.db2.gz MPIUTXIZKYEHGG-OLZOCXBDSA-N 1 0 262.353 1.727 20 10 CDCDRO Cc1cccc(CN(CC[NH+](C)C)CC(=O)N(C)C)c1O ZINC000827158942 695461671 /nfs/dbraw/zinc/46/16/71/695461671.db2.gz VXSCCMCBZNQPRX-UHFFFAOYSA-N 1 0 293.411 1.152 20 10 CDCDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCC(O)CC2)cc1 ZINC000817941489 695472482 /nfs/dbraw/zinc/47/24/82/695472482.db2.gz JZRHWEDFISQYDF-AVVWSFFYSA-N 1 0 277.412 1.646 20 10 CDCDRO CN1CC[NH+]=C1NCc1ccc(N2CC=CC2)cc1 ZINC000849009783 695505531 /nfs/dbraw/zinc/50/55/31/695505531.db2.gz NWPZEVXIHBKPMB-UHFFFAOYSA-N 1 0 256.353 1.454 20 10 CDCDRO C[C@@H](C[NH3+])N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843051453 695720223 /nfs/dbraw/zinc/72/02/23/695720223.db2.gz IFBDUTFEGHIPGP-LBPRGKRZSA-N 1 0 281.375 1.441 20 10 CDCDRO Oc1ccccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827515305 695751304 /nfs/dbraw/zinc/75/13/04/695751304.db2.gz BDUAPNNSJZPNEQ-UHFFFAOYSA-N 1 0 290.407 1.936 20 10 CDCDRO COc1ccc(N2CCN(C[C@@H](C)[NH3+])CC2)cc1F ZINC000844221547 695778953 /nfs/dbraw/zinc/77/89/53/695778953.db2.gz PXKPTQSUCDILHS-LLVKDONJSA-N 1 0 267.348 1.304 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1)OCO2 ZINC000230667411 695795924 /nfs/dbraw/zinc/79/59/24/695795924.db2.gz ATGKNDLAMUYFSB-PWSUYJOCSA-N 1 0 279.336 1.762 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1F ZINC000862428995 695812539 /nfs/dbraw/zinc/81/25/39/695812539.db2.gz ZFPTZVUWTAFKQM-CYBMUJFWSA-N 1 0 293.386 1.944 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000832292480 695813831 /nfs/dbraw/zinc/81/38/31/695813831.db2.gz HPVXOVHHXVJYDQ-INIZCTEOSA-N 1 0 298.390 1.886 20 10 CDCDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)nnn3C)c(O)c1 ZINC000793385968 695821806 /nfs/dbraw/zinc/82/18/06/695821806.db2.gz FFOQEDRTXDIZPY-UHFFFAOYSA-N 1 0 298.346 1.972 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000396729238 695828708 /nfs/dbraw/zinc/82/87/08/695828708.db2.gz COTRUJLGIVJINC-QWRGUYRKSA-N 1 0 278.352 1.720 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1 ZINC000704337366 695842650 /nfs/dbraw/zinc/84/26/50/695842650.db2.gz CVDZZQIPCYWGAU-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO C[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000841881636 695845854 /nfs/dbraw/zinc/84/58/54/695845854.db2.gz UAASDFMQIFYYDD-VXGBXAGGSA-N 1 0 278.400 1.802 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OC)cc1O ZINC000832178102 695846854 /nfs/dbraw/zinc/84/68/54/695846854.db2.gz NNVWCFWENQHBDM-OLZOCXBDSA-N 1 0 278.352 1.405 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000720995265 695864180 /nfs/dbraw/zinc/86/41/80/695864180.db2.gz OLORWPILAOAQMF-JLIMDTESSA-N 1 0 271.744 1.915 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1C ZINC000782388502 695864234 /nfs/dbraw/zinc/86/42/34/695864234.db2.gz FYSSDQBSDIUSMW-HNNXBMFYSA-N 1 0 279.380 1.881 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2COCC[C@H]2OC)c1 ZINC000724879046 695883688 /nfs/dbraw/zinc/88/36/88/695883688.db2.gz AWWKKVUBGPARDS-TZMCWYRMSA-N 1 0 267.325 1.294 20 10 CDCDRO CC[NH+](CC)CC[C@H](CO)NCc1ccc2c(c1)CCO2 ZINC000883161077 695893356 /nfs/dbraw/zinc/89/33/56/695893356.db2.gz JCMYEDVHGIXTSN-MRXNPFEDSA-N 1 0 292.423 1.804 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1cc(Br)ccc1O ZINC000389604250 695907351 /nfs/dbraw/zinc/90/73/51/695907351.db2.gz XAKRLHCFBKCNEX-QMMMGPOBSA-N 1 0 273.174 1.934 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000126954623 695963750 /nfs/dbraw/zinc/96/37/50/695963750.db2.gz JSISKTCREOIPHL-AWEZNQCLSA-N 1 0 282.409 1.419 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1 ZINC000036794242 695966566 /nfs/dbraw/zinc/96/65/66/695966566.db2.gz CNTXMKCFECEOCA-NXEZZACHSA-N 1 0 266.341 1.528 20 10 CDCDRO CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1)c1ccc(N)cc1 ZINC000877077572 695973014 /nfs/dbraw/zinc/97/30/14/695973014.db2.gz NHYDIBVKMIHCHK-SNVBAGLBSA-N 1 0 285.351 1.345 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000391520035 695981832 /nfs/dbraw/zinc/98/18/32/695981832.db2.gz CDJPURKIGMJHMZ-VIFPVBQESA-N 1 0 268.744 1.756 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCCN(CC)C2=O)c1O ZINC000922639692 695987970 /nfs/dbraw/zinc/98/79/70/695987970.db2.gz NXNPOKNBQXXNJA-ZDUSSCGKSA-N 1 0 292.379 1.891 20 10 CDCDRO CN(C(=O)c1conc1C(C)(C)[NH3+])c1ccc(N)cc1 ZINC000877074480 695993094 /nfs/dbraw/zinc/99/30/94/695993094.db2.gz LMMRNMBPRQLLHY-UHFFFAOYSA-N 1 0 274.324 1.727 20 10 CDCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000829769297 695995428 /nfs/dbraw/zinc/99/54/28/695995428.db2.gz SCXWFLCAXBGFKM-OAHLLOKOSA-N 1 0 275.396 1.802 20 10 CDCDRO Nc1ccc(CCNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000841955842 696009487 /nfs/dbraw/zinc/00/94/87/696009487.db2.gz PLXJIQTUQMNFPX-HNNXBMFYSA-N 1 0 290.411 1.643 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=O)C3([NH3+])CC3)C2)cc1 ZINC000818613427 696014193 /nfs/dbraw/zinc/01/41/93/696014193.db2.gz OOGTVCYIKLEVTN-GFCCVEGCSA-N 1 0 289.379 1.129 20 10 CDCDRO c1cc2c(cc1C[NH2+]C[C@@H]1COCCO1)CCCO2 ZINC000921562138 696015811 /nfs/dbraw/zinc/01/58/11/696015811.db2.gz HSTRLBXSLJJVCV-CQSZACIVSA-N 1 0 263.337 1.517 20 10 CDCDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597408 696018909 /nfs/dbraw/zinc/01/89/09/696018909.db2.gz HKLIMGBCHIBUIP-OAHLLOKOSA-N 1 0 288.391 1.885 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(O)c1 ZINC000877493425 696078622 /nfs/dbraw/zinc/07/86/22/696078622.db2.gz BELFOWUIEMUKBX-ZIAGYGMSSA-N 1 0 265.353 1.435 20 10 CDCDRO CC(=O)c1cc(F)cc(CN(C)[C@@H]2CC[NH2+]C2)c1O ZINC000843351127 696097006 /nfs/dbraw/zinc/09/70/06/696097006.db2.gz FTQMWRAHOUFYOW-GFCCVEGCSA-N 1 0 266.316 1.528 20 10 CDCDRO C[N@H+](C[C@@H](O)CNc1ccccc1OCCF)C1CC1 ZINC000819489939 696118659 /nfs/dbraw/zinc/11/86/59/696118659.db2.gz YZFQBFOTNIRCBK-ZDUSSCGKSA-N 1 0 282.359 1.902 20 10 CDCDRO C[NH2+]CCN(C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000841825726 696126936 /nfs/dbraw/zinc/12/69/36/696126936.db2.gz BZGWPCQSJXWAAD-UHFFFAOYSA-N 1 0 278.400 1.422 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](CCO)CCCO ZINC000840918755 696202548 /nfs/dbraw/zinc/20/25/48/696202548.db2.gz XSFGQMDUKGXXOH-UHFFFAOYSA-N 1 0 266.385 1.238 20 10 CDCDRO [NH3+][C@@H]1CC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC001580388547 1172420489 /nfs/dbraw/zinc/42/04/89/1172420489.db2.gz LRMGPJVKQVEKRX-VHSXEESVSA-N 1 0 281.331 1.458 20 10 CDCDRO COc1ccc(CN(C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000234929947 1178229878 /nfs/dbraw/zinc/22/98/78/1178229878.db2.gz VIVRVMHQGLVNCB-LBPRGKRZSA-N 1 0 250.342 1.585 20 10 CDCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000235742950 724412164 /nfs/dbraw/zinc/41/21/64/724412164.db2.gz KBCZLPMPKXCBGL-ZDUSSCGKSA-N 1 0 268.744 1.743 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000818967694 724441194 /nfs/dbraw/zinc/44/11/94/724441194.db2.gz ZJLHGSWBBCEJJV-AGIUHOORSA-N 1 0 296.386 1.910 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000271165543 724442005 /nfs/dbraw/zinc/44/20/05/724442005.db2.gz FXFYJWMERRYWLY-UHFFFAOYSA-N 1 0 287.407 1.855 20 10 CDCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818967696 723698516 /nfs/dbraw/zinc/69/85/16/723698516.db2.gz ZJLHGSWBBCEJJV-JHJVBQTASA-N 1 0 296.386 1.910 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH3+] ZINC000841970571 723726332 /nfs/dbraw/zinc/72/63/32/723726332.db2.gz ATNDTZFAUVNMEA-LLVKDONJSA-N 1 0 265.357 1.661 20 10 CDCDRO CCOc1cccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1O ZINC000086466838 723727261 /nfs/dbraw/zinc/72/72/61/723727261.db2.gz UIMLWAXVMLUOHF-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)CCC(N)=O)cc1Cl ZINC000825893089 723733792 /nfs/dbraw/zinc/73/37/92/723733792.db2.gz OKVRXUPYFJWCJN-UHFFFAOYSA-N 1 0 256.733 1.661 20 10 CDCDRO COCCn1cc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC000841033991 723748024 /nfs/dbraw/zinc/74/80/24/723748024.db2.gz DUYLRGZFPTTYDO-UHFFFAOYSA-N 1 0 274.368 1.444 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000842514269 723751427 /nfs/dbraw/zinc/75/14/27/723751427.db2.gz VUDYCNBMNWPLKR-OAHLLOKOSA-N 1 0 259.353 1.166 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCOCC(F)(F)F)OCO2 ZINC000111607851 723772298 /nfs/dbraw/zinc/77/22/98/723772298.db2.gz VJECAWWJABRLTH-UHFFFAOYSA-N 1 0 293.241 1.789 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn[nH]n2)c1 ZINC000851900260 723812352 /nfs/dbraw/zinc/81/23/52/723812352.db2.gz BTZHXLUWDLFNFN-SECBINFHSA-N 1 0 262.313 1.412 20 10 CDCDRO CNC(=O)C1([NH2+]Cc2cccc(C)c2O)CCCC1 ZINC000779173228 723817108 /nfs/dbraw/zinc/81/71/08/723817108.db2.gz CTWDMLHYPNDSHU-UHFFFAOYSA-N 1 0 262.353 1.849 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccccc1O ZINC000870988080 723870067 /nfs/dbraw/zinc/87/00/67/723870067.db2.gz FWWTUPFGTURDHP-IXPVHAAZSA-N 1 0 260.337 1.569 20 10 CDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921988531 723949579 /nfs/dbraw/zinc/94/95/79/723949579.db2.gz FFTPTWPPAJRYSM-VOJFVSQTSA-N 1 0 267.394 1.868 20 10 CDCDRO COc1cccc(C[NH2+]CC[C@@H]2CCOC2)c1O ZINC000230164695 723971968 /nfs/dbraw/zinc/97/19/68/723971968.db2.gz DOGOSUSHOCTVJD-LLVKDONJSA-N 1 0 251.326 1.917 20 10 CDCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N(C)C)cc1C ZINC000829764789 724034865 /nfs/dbraw/zinc/03/48/65/724034865.db2.gz XNMDEDHPJXAVIM-CQSZACIVSA-N 1 0 279.384 1.041 20 10 CDCDRO CN(CCCN(C)C(=O)C1=CC(=O)CS1)CC[NH+](C)C ZINC000811542705 724035980 /nfs/dbraw/zinc/03/59/80/724035980.db2.gz CXSKAWFYFYNCMF-UHFFFAOYSA-N 1 0 299.440 1.409 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1C ZINC000840962927 724051642 /nfs/dbraw/zinc/05/16/42/724051642.db2.gz OFAIIKXXJPZSNS-LSDHHAIUSA-N 1 0 279.380 1.881 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)c1ccccc1O ZINC000877255868 724052975 /nfs/dbraw/zinc/05/29/75/724052975.db2.gz JBTJXIMWSUZDSS-LOWVWBTDSA-N 1 0 262.353 1.958 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000780939901 724108644 /nfs/dbraw/zinc/10/86/44/724108644.db2.gz KPPVYNNELRZSCQ-NSHDSACASA-N 1 0 280.368 1.866 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000228356814 724151884 /nfs/dbraw/zinc/15/18/84/724151884.db2.gz MZOYCOZDBGGVJC-LBPRGKRZSA-N 1 0 268.744 1.756 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1 ZINC000211599239 724185261 /nfs/dbraw/zinc/18/52/61/724185261.db2.gz BLKTWVAROCULQZ-ZDUSSCGKSA-N 1 0 260.337 1.507 20 10 CDCDRO CCOc1ccc(C[NH2+]CC[C@]2(O)CCCOC2)c(O)c1 ZINC000846111820 724257863 /nfs/dbraw/zinc/25/78/63/724257863.db2.gz VZMFNPIEYYSUFZ-MRXNPFEDSA-N 1 0 295.379 1.812 20 10 CDCDRO C[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccccc1O ZINC000870988703 724272813 /nfs/dbraw/zinc/27/28/13/724272813.db2.gz XLSFQFGZUPVCFZ-RNCFNFMXSA-N 1 0 252.289 1.271 20 10 CDCDRO CNC(=O)C[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132593786 724282187 /nfs/dbraw/zinc/28/21/87/724282187.db2.gz MHDJDUSUJXGKBY-UHFFFAOYSA-N 1 0 287.157 1.333 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)N(C)Cc1ccccc1O ZINC000841962928 724320729 /nfs/dbraw/zinc/32/07/29/724320729.db2.gz MVHPPCNYUXYYCE-JTQLQIEISA-N 1 0 251.330 1.128 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848407062 724327013 /nfs/dbraw/zinc/32/70/13/724327013.db2.gz LRUWFOBXOWXUSR-RDJZCZTQSA-N 1 0 287.407 1.759 20 10 CDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000831202851 724335639 /nfs/dbraw/zinc/33/56/39/724335639.db2.gz NIBCDIVNLNNFQN-QWRGUYRKSA-N 1 0 265.357 1.659 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000776222582 724342730 /nfs/dbraw/zinc/34/27/30/724342730.db2.gz GCCHQJDSNPIZTF-AAEUAGOBSA-N 1 0 294.395 1.982 20 10 CDCDRO COC(=O)CN1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000877756449 724447217 /nfs/dbraw/zinc/44/72/17/724447217.db2.gz JCAZARCHPOSYHE-GFCCVEGCSA-N 1 0 292.379 1.680 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)[C@@H]1OC ZINC000775978927 724447951 /nfs/dbraw/zinc/44/79/51/724447951.db2.gz PIBDSDALZOELRA-DFBGVHRSSA-N 1 0 281.352 1.683 20 10 CDCDRO C[NH+](C)CCn1cc(C(=O)Nc2ccc(N)cc2)cn1 ZINC000876504301 724474909 /nfs/dbraw/zinc/47/49/09/724474909.db2.gz MEDWSCOALIDPSU-UHFFFAOYSA-N 1 0 273.340 1.279 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000123903454 725413295 /nfs/dbraw/zinc/41/32/95/725413295.db2.gz JUTIKLRXJVIBFL-CQSZACIVSA-N 1 0 261.369 1.496 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1O ZINC000931660815 724508803 /nfs/dbraw/zinc/50/88/03/724508803.db2.gz SXHGLQWNDRGJCC-CYBMUJFWSA-N 1 0 294.326 1.348 20 10 CDCDRO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182406460 725918040 /nfs/dbraw/zinc/91/80/40/725918040.db2.gz GHZVKKBBGKSHFN-WDEREUQCSA-N 1 0 280.368 1.966 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC=CCC2)cc1 ZINC000778967321 724542161 /nfs/dbraw/zinc/54/21/61/724542161.db2.gz BBVTVVWKLLZUAE-UHFFFAOYSA-N 1 0 287.407 1.973 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCS(=O)(=O)N2CCCC2)c1 ZINC000721875452 724552980 /nfs/dbraw/zinc/55/29/80/724552980.db2.gz VVKHGZYXWZSDRM-UHFFFAOYSA-N 1 0 298.408 1.216 20 10 CDCDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000828015729 726008067 /nfs/dbraw/zinc/00/80/67/726008067.db2.gz LDGANTIXLXVMIE-WFASDCNBSA-N 1 0 262.353 1.916 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCC(=O)N2)C2CC2)cc1 ZINC000844278019 724584704 /nfs/dbraw/zinc/58/47/04/724584704.db2.gz NIEBGIGOYPCUKG-AWEZNQCLSA-N 1 0 287.407 1.996 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876884348 724625583 /nfs/dbraw/zinc/62/55/83/724625583.db2.gz GNJPRBCTHUWPQS-NSHDSACASA-N 1 0 276.380 1.885 20 10 CDCDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834566321 724639424 /nfs/dbraw/zinc/63/94/24/724639424.db2.gz JTMJIDFZIQWFNI-OCCSQVGLSA-N 1 0 276.380 1.690 20 10 CDCDRO CCCC[C@H](C[NH3+])NC(=O)NCc1cccc(OC)c1O ZINC000841959232 724664266 /nfs/dbraw/zinc/66/42/66/724664266.db2.gz OKXUQUKVONRIBG-GFCCVEGCSA-N 1 0 295.383 1.718 20 10 CDCDRO Oc1ccccc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841893561 724675909 /nfs/dbraw/zinc/67/59/09/724675909.db2.gz GTGVQGKPTTWOAE-LLVKDONJSA-N 1 0 256.296 1.821 20 10 CDCDRO CN1CCC[NH+]=C1NCc1ccc(N2CC=CC2)cc1 ZINC000849009818 724691100 /nfs/dbraw/zinc/69/11/00/724691100.db2.gz SHTNEJDYKULOHK-UHFFFAOYSA-N 1 0 270.380 1.844 20 10 CDCDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939339 724720987 /nfs/dbraw/zinc/72/09/87/724720987.db2.gz BBWLIELJNBHSMN-JMSVASOKSA-N 1 0 265.401 1.765 20 10 CDCDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179564895 724735973 /nfs/dbraw/zinc/73/59/73/724735973.db2.gz JCVCQXRVYGAJBV-GFCCVEGCSA-N 1 0 262.353 1.870 20 10 CDCDRO Oc1ccc(F)cc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229926 724747251 /nfs/dbraw/zinc/74/72/51/724747251.db2.gz IYHONMDRUUPOFN-UONOGXRCSA-N 1 0 250.317 1.906 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775091171 724808575 /nfs/dbraw/zinc/80/85/75/724808575.db2.gz WIPRUSNZBGFJAW-BXKDBHETSA-N 1 0 296.323 1.512 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000877037300 723693261 /nfs/dbraw/zinc/69/32/61/723693261.db2.gz ZQEJEXICOGAAOO-WCQYABFASA-N 1 0 292.379 1.938 20 10 CDCDRO CN(CC[NH2+]Cc1ccc2c(c1)CCO2)CC(F)F ZINC000858336491 723701204 /nfs/dbraw/zinc/70/12/04/723701204.db2.gz JKMSHRDVMOSSKS-UHFFFAOYSA-N 1 0 270.323 1.908 20 10 CDCDRO OC[C@H](CC(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000717812488 723708935 /nfs/dbraw/zinc/70/89/35/723708935.db2.gz VZONPIRCESFNJM-QMMMGPOBSA-N 1 0 275.251 1.227 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C2CCN(OC)CC2)c1 ZINC000817418761 723720318 /nfs/dbraw/zinc/72/03/18/723720318.db2.gz FNAAFYROTQQLGY-UHFFFAOYSA-N 1 0 280.368 1.906 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1O ZINC000846152579 723723704 /nfs/dbraw/zinc/72/37/04/723723704.db2.gz ANTPQIWVJRDVRA-BXUZGUMPSA-N 1 0 295.379 1.839 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC3)cc2)CC1 ZINC000889669588 723799314 /nfs/dbraw/zinc/79/93/14/723799314.db2.gz NTDNZGQCRJWAMG-UHFFFAOYSA-N 1 0 288.395 1.354 20 10 CDCDRO CCOCc1cc(C[NH2+]C2(C(N)=O)CC2)ccc1OC ZINC000191486013 723836087 /nfs/dbraw/zinc/83/60/87/723836087.db2.gz XTNLAOCZLRNXNP-UHFFFAOYSA-N 1 0 278.352 1.339 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c(O)c1 ZINC000704337408 723841036 /nfs/dbraw/zinc/84/10/36/723841036.db2.gz DDXCDMKZVXFMGU-YPMHNXCESA-N 1 0 262.353 1.972 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2cccc(OC)c2O)CC1=O ZINC000846094306 723896635 /nfs/dbraw/zinc/89/66/35/723896635.db2.gz SGEBCHJCIVVEPW-NSHDSACASA-N 1 0 278.352 1.359 20 10 CDCDRO CCN(C)c1ccc(CN2CCO[C@@H](OC)C2)cc1 ZINC000878970170 723976105 /nfs/dbraw/zinc/97/61/05/723976105.db2.gz JYHWOIUSWUAUFH-OAHLLOKOSA-N 1 0 264.369 1.947 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@](F)(CO)C2)ccc1N(C)C ZINC000815111143 724030574 /nfs/dbraw/zinc/03/05/74/724030574.db2.gz HZWWURPQDKQJRO-OAHLLOKOSA-N 1 0 266.360 1.967 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000211599157 724089304 /nfs/dbraw/zinc/08/93/04/724089304.db2.gz BLKTWVAROCULQZ-CYBMUJFWSA-N 1 0 260.337 1.507 20 10 CDCDRO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000219324859 724142011 /nfs/dbraw/zinc/14/20/11/724142011.db2.gz HAYHSQFORMJSKX-LLVKDONJSA-N 1 0 270.348 1.760 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000841720622 724169117 /nfs/dbraw/zinc/16/91/17/724169117.db2.gz XBXWEXURYDEUDZ-UHFFFAOYSA-N 1 0 292.427 1.942 20 10 CDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCOC1 ZINC000922183906 724283618 /nfs/dbraw/zinc/28/36/18/724283618.db2.gz CKLSZEOORPNVMM-HZPDHXFCSA-N 1 0 291.391 1.889 20 10 CDCDRO CSCC[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000832652778 725052860 /nfs/dbraw/zinc/05/28/60/725052860.db2.gz GKQGLRZDVFLDNH-LBPRGKRZSA-N 1 0 267.398 1.008 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)c(O)c1 ZINC000846093739 725066834 /nfs/dbraw/zinc/06/68/34/725066834.db2.gz QKINTVHYIBFNEN-LBPRGKRZSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c(O)cc1C ZINC000808227897 725133273 /nfs/dbraw/zinc/13/32/73/725133273.db2.gz PCJYJVWIYMMIOX-LLVKDONJSA-N 1 0 278.352 1.407 20 10 CDCDRO CC[N@H+](CCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305734668 725142454 /nfs/dbraw/zinc/14/24/54/725142454.db2.gz QWDXCLYFJDDPRK-UHFFFAOYSA-N 1 0 282.359 1.477 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC000821066565 725175813 /nfs/dbraw/zinc/17/58/13/725175813.db2.gz ZIVDSYPFNOECEA-NSHDSACASA-N 1 0 278.352 1.674 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000233828575 725183868 /nfs/dbraw/zinc/18/38/68/725183868.db2.gz AXDOETJOYVTORD-UHFFFAOYSA-N 1 0 296.436 1.593 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]CC2(C)C)c1O ZINC000843352491 725191902 /nfs/dbraw/zinc/19/19/02/725191902.db2.gz LPIAYASBFREHKZ-UHFFFAOYSA-N 1 0 280.343 1.918 20 10 CDCDRO C[C@H](C[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841855545 725203210 /nfs/dbraw/zinc/20/32/10/725203210.db2.gz AXTNBDGAFWOXPH-MRVPVSSYSA-N 1 0 274.415 1.272 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CC[C@@H]1[NH3+] ZINC000122291823 725206669 /nfs/dbraw/zinc/20/66/69/725206669.db2.gz VBMWMOFDSJSMRZ-RISCZKNCSA-N 1 0 264.369 1.960 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841855546 725209027 /nfs/dbraw/zinc/20/90/27/725209027.db2.gz AXTNBDGAFWOXPH-QMMMGPOBSA-N 1 0 274.415 1.272 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)C)cc1 ZINC000832293092 725218400 /nfs/dbraw/zinc/21/84/00/725218400.db2.gz PEEVATZFRKKCPF-CYBMUJFWSA-N 1 0 263.385 1.915 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851658962 725244886 /nfs/dbraw/zinc/24/48/86/725244886.db2.gz JFIFHBCACMXUGV-RYUDHWBXSA-N 1 0 278.400 1.721 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1OC ZINC000817412324 725249050 /nfs/dbraw/zinc/24/90/50/725249050.db2.gz IUWLXOPJHSPGMB-RYUDHWBXSA-N 1 0 295.379 1.860 20 10 CDCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000219324888 725306121 /nfs/dbraw/zinc/30/61/21/725306121.db2.gz HAYHSQFORMJSKX-NSHDSACASA-N 1 0 270.348 1.760 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759518 725306187 /nfs/dbraw/zinc/30/61/87/725306187.db2.gz HCGXFYAFZAKVRR-ZDUSSCGKSA-N 1 0 296.390 1.674 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccccc1O ZINC000879649586 725316436 /nfs/dbraw/zinc/31/64/36/725316436.db2.gz WSDMVPFIOSNVJR-NEPJUHHUSA-N 1 0 262.353 1.959 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085367118 725318926 /nfs/dbraw/zinc/31/89/26/725318926.db2.gz OOQURFMPEWZVHY-CABCVRRESA-N 1 0 275.396 1.838 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597519 725322232 /nfs/dbraw/zinc/32/22/32/725322232.db2.gz MPJOGONMPVGTBD-GHMZBOCLSA-N 1 0 276.380 1.871 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922183220 725368876 /nfs/dbraw/zinc/36/88/76/725368876.db2.gz BDCBUCOXXYAROV-UHFFFAOYSA-N 1 0 297.420 1.926 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]([NH3+])CCOC ZINC000884113265 725373938 /nfs/dbraw/zinc/37/39/38/725373938.db2.gz LFOQFGALUSBHTM-CYBMUJFWSA-N 1 0 280.368 1.495 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000168191086 725379822 /nfs/dbraw/zinc/37/98/22/725379822.db2.gz QUIQUUHYYHMTPB-XCLFUZPHSA-N 1 0 296.436 1.380 20 10 CDCDRO COc1cc(Cl)cc(CN2CCC[C@H]([NH3+])C2)c1O ZINC000229102542 725404832 /nfs/dbraw/zinc/40/48/32/725404832.db2.gz YMMPRSILUBEASQ-NSHDSACASA-N 1 0 270.760 1.977 20 10 CDCDRO Cc1cccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1O ZINC000158099884 725406456 /nfs/dbraw/zinc/40/64/56/725406456.db2.gz VBMHQDPQOOPHCU-UHFFFAOYSA-N 1 0 291.439 1.816 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C2(CO)CCOCC2)c1 ZINC000827909362 725431408 /nfs/dbraw/zinc/43/14/08/725431408.db2.gz USUCJAUMZJSRIN-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO C[C@@H](CCCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000094942644 725442784 /nfs/dbraw/zinc/44/27/84/725442784.db2.gz URZOJFHVIBYDDD-AWEZNQCLSA-N 1 0 278.396 1.774 20 10 CDCDRO Oc1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090320077 725455467 /nfs/dbraw/zinc/45/54/67/725455467.db2.gz JDOGFVMHDJHUKM-GHMZBOCLSA-N 1 0 252.745 1.697 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922013758 725471262 /nfs/dbraw/zinc/47/12/62/725471262.db2.gz JJLRMNDHBWXZPF-UHFFFAOYSA-N 1 0 262.353 1.580 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c(O)c1C ZINC000858553649 725479704 /nfs/dbraw/zinc/47/97/04/725479704.db2.gz SVIOGQSSRASIGK-IACUBPJLSA-N 1 0 265.353 1.809 20 10 CDCDRO Cc1cnc(CC[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000835062392 725488764 /nfs/dbraw/zinc/48/87/64/725488764.db2.gz TXTIETLSSMCRCD-UHFFFAOYSA-N 1 0 261.300 1.962 20 10 CDCDRO COCCOC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819077264 725495883 /nfs/dbraw/zinc/49/58/83/725495883.db2.gz JXQJMLJIMJHJNX-INIZCTEOSA-N 1 0 296.411 1.175 20 10 CDCDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1O ZINC000848351915 725567161 /nfs/dbraw/zinc/56/71/61/725567161.db2.gz HOGUABJKHXNAPI-CHWSQXEVSA-N 1 0 290.363 1.845 20 10 CDCDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000842226187 725577425 /nfs/dbraw/zinc/57/74/25/725577425.db2.gz MBXMLTSWEIHOGT-KGLIPLIRSA-N 1 0 267.369 1.615 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCNC2=O)c(O)c1C ZINC000886745326 725660385 /nfs/dbraw/zinc/66/03/85/725660385.db2.gz UJLRKNSMABMLAP-LBPRGKRZSA-N 1 0 277.368 1.685 20 10 CDCDRO NC(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226583742 725683412 /nfs/dbraw/zinc/68/34/12/725683412.db2.gz HQDUUXFBBNNZIH-UHFFFAOYSA-N 1 0 274.295 1.920 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870936739 725908591 /nfs/dbraw/zinc/90/85/91/725908591.db2.gz OGRZCDAKLWHLCY-XBXGTLAGSA-N 1 0 261.369 1.445 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CF)C2)cc1 ZINC000880295644 725941904 /nfs/dbraw/zinc/94/19/04/725941904.db2.gz WHNRSEKFFXCUFT-AWEZNQCLSA-N 1 0 293.386 1.660 20 10 CDCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862336353 725944471 /nfs/dbraw/zinc/94/44/71/725944471.db2.gz FYMQMXLQJTVSMB-RNCFNFMXSA-N 1 0 298.180 1.969 20 10 CDCDRO COc1cccc(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000824926717 725953744 /nfs/dbraw/zinc/95/37/44/725953744.db2.gz QUEBTRASPHAZKP-BETUJISGSA-N 1 0 294.395 1.288 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1 ZINC000398371711 725956190 /nfs/dbraw/zinc/95/61/90/725956190.db2.gz CVEXLEMGPSLSIG-CQSZACIVSA-N 1 0 275.396 1.759 20 10 CDCDRO Cc1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC000876515613 725968386 /nfs/dbraw/zinc/96/83/86/725968386.db2.gz CJDBVHXNMRDUEH-AWEZNQCLSA-N 1 0 264.369 1.463 20 10 CDCDRO COc1cc(CN2CC[C@](C)([NH3+])C2)c(O)cc1O ZINC001204790587 906560711 /nfs/dbraw/zinc/56/07/11/906560711.db2.gz KTSOPFFJAHZUOC-ZDUSSCGKSA-N 1 0 252.314 1.030 20 10 CDCDRO C[NH+](C)C[C@@H]1COCCN1Cc1cc(F)c(F)cc1O ZINC001142527435 908868668 /nfs/dbraw/zinc/86/86/68/908868668.db2.gz UTCUGKNEVOCYPW-LLVKDONJSA-N 1 0 286.322 1.433 20 10 CDCDRO O=C1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CCN1C1CC1 ZINC001172010217 911096996 /nfs/dbraw/zinc/09/69/96/911096996.db2.gz WZNPCFKIXHKHCD-LLVKDONJSA-N 1 0 276.336 1.341 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180001 911439567 /nfs/dbraw/zinc/43/95/67/911439567.db2.gz QGDCHIXZUNPASO-ZIAGYGMSSA-N 1 0 274.364 1.977 20 10 CDCDRO Cc1cc(Br)cc(CN2C[C@H]3C[NH2+]C[C@H]32)c1O ZINC001236291569 914893494 /nfs/dbraw/zinc/89/34/94/914893494.db2.gz LVDJOJKVNDJYJZ-ZYHUDNBSSA-N 1 0 297.196 1.867 20 10 CDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(Cl)ccc2O)C1 ZINC001206403739 916004829 /nfs/dbraw/zinc/00/48/29/916004829.db2.gz JBFGNBFPLADKOE-QWRGUYRKSA-N 1 0 258.724 1.917 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)[C@H]3CC[NH2+]3)CC2)cc1 ZINC000828353316 936371653 /nfs/dbraw/zinc/37/16/53/936371653.db2.gz MLJXLKDCEJMJJZ-OAHLLOKOSA-N 1 0 289.379 1.142 20 10 CDCDRO CCN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1COC1 ZINC001139257562 936611809 /nfs/dbraw/zinc/61/18/09/936611809.db2.gz FHVYOOYOKDXDJN-UHFFFAOYSA-N 1 0 294.395 1.683 20 10 CDCDRO Oc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)c(O)c1 ZINC000715593400 919915535 /nfs/dbraw/zinc/91/55/35/919915535.db2.gz FNNHKOIRQIEQFI-UHFFFAOYSA-N 1 0 279.336 1.873 20 10 CDCDRO COC(=O)CC[N@H+](Cc1ccc(OC)cc1O)C1CC1 ZINC001203634361 919943198 /nfs/dbraw/zinc/94/31/98/919943198.db2.gz BCYOAGVQGPWBOO-UHFFFAOYSA-N 1 0 279.336 1.928 20 10 CDCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(F)ccc1O)C2 ZINC001140060517 936675528 /nfs/dbraw/zinc/67/55/28/936675528.db2.gz ZTXNVXKTOZNDDI-IUODEOHRSA-N 1 0 264.344 1.915 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC(N3CCN(C)CC3)C2)c1O ZINC001140184668 936685252 /nfs/dbraw/zinc/68/52/52/936685252.db2.gz DIXMMTSESJJUEG-UHFFFAOYSA-N 1 0 289.423 1.441 20 10 CDCDRO COC[C@@H]1COCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140185221 936685353 /nfs/dbraw/zinc/68/53/53/936685353.db2.gz SPSWOALHWOMXQM-CYBMUJFWSA-N 1 0 265.353 1.856 20 10 CDCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140462812 936712531 /nfs/dbraw/zinc/71/25/31/936712531.db2.gz LJWOUAIUYOIHJX-AWEZNQCLSA-N 1 0 280.755 1.758 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466995 936712657 /nfs/dbraw/zinc/71/26/57/936712657.db2.gz PHPOTHMWUSPXMD-SECBINFHSA-N 1 0 254.717 1.353 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(CCC(C)(C)O)CC2)c1 ZINC001140623852 936732368 /nfs/dbraw/zinc/73/23/68/936732368.db2.gz UWMQYRACWMBWQK-UHFFFAOYSA-N 1 0 292.423 1.979 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744465 936748926 /nfs/dbraw/zinc/74/89/26/936748926.db2.gz YKJCLFKITLPJFE-NSHDSACASA-N 1 0 251.326 1.875 20 10 CDCDRO Cc1nc(CC[N@@H+](C)Cc2ccc(O)c(C)c2O)no1 ZINC001140744208 936749065 /nfs/dbraw/zinc/74/90/65/936749065.db2.gz PMPBDHCNIBCUTG-UHFFFAOYSA-N 1 0 277.324 1.772 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC001140749284 936749330 /nfs/dbraw/zinc/74/93/30/936749330.db2.gz VMAQLXPNQDYQMW-ZDUSSCGKSA-N 1 0 288.351 1.835 20 10 CDCDRO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C[C@H](O)CO ZINC001141075334 936810072 /nfs/dbraw/zinc/81/00/72/936810072.db2.gz NBJYEMJBHMOVQZ-INIZCTEOSA-N 1 0 290.407 1.170 20 10 CDCDRO CN(C)C(=O)NC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162582 936823767 /nfs/dbraw/zinc/82/37/67/936823767.db2.gz WHNLJWXQZLVZON-UHFFFAOYSA-N 1 0 293.367 1.333 20 10 CDCDRO Nc1ccc(CCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001118143615 923597025 /nfs/dbraw/zinc/59/70/25/923597025.db2.gz BLTUSRGYTVVJNE-UHFFFAOYSA-N 1 0 273.380 1.556 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841058990 936973386 /nfs/dbraw/zinc/97/33/86/936973386.db2.gz YIGBCUMZKQTLPM-LLVKDONJSA-N 1 0 295.339 1.541 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)CCF)cc1F ZINC000858183571 928816074 /nfs/dbraw/zinc/81/60/74/928816074.db2.gz HZPCUIDPRBCZCU-SNVBAGLBSA-N 1 0 276.302 1.841 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000697580938 937284008 /nfs/dbraw/zinc/28/40/08/937284008.db2.gz XUICKBNNTCHNMZ-WDEREUQCSA-N 1 0 271.382 1.784 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCCCNC2=O)c1O ZINC000691523423 929146097 /nfs/dbraw/zinc/14/60/97/929146097.db2.gz OUYCYOKSKWAYNQ-ZDUSSCGKSA-N 1 0 262.353 1.713 20 10 CDCDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)OC(C)(C)O2 ZINC001170995471 931197726 /nfs/dbraw/zinc/19/77/26/931197726.db2.gz NFKFKHIPVWVULN-UHFFFAOYSA-N 1 0 294.351 1.522 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1F ZINC000825017417 931489134 /nfs/dbraw/zinc/48/91/34/931489134.db2.gz RAGXULYUAIUMHX-HZPDHXFCSA-N 1 0 296.386 1.863 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C)c(O)c1 ZINC001275275384 931719526 /nfs/dbraw/zinc/71/95/26/931719526.db2.gz IVHFXSLYKCSLNQ-KBPBESRZSA-N 1 0 262.353 1.679 20 10 CDCDRO COC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144500056 931858771 /nfs/dbraw/zinc/85/87/71/931858771.db2.gz NZELUMMJHNLUTE-UHFFFAOYSA-N 1 0 253.298 1.414 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC(N3CCC3)CC2)c(O)c1 ZINC001144520573 931871986 /nfs/dbraw/zinc/87/19/86/931871986.db2.gz VHEYALYYCZZBQB-UHFFFAOYSA-N 1 0 278.352 1.474 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCN3CCC2CC3)c(O)c1 ZINC001144514686 931877391 /nfs/dbraw/zinc/87/73/91/931877391.db2.gz OVPJEVXGYBGJHR-UHFFFAOYSA-N 1 0 264.325 1.083 20 10 CDCDRO CO[C@@H](C)C1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516078 931881237 /nfs/dbraw/zinc/88/12/37/931881237.db2.gz ORJVYAPZZRJMIF-QMMMGPOBSA-N 1 0 253.298 1.270 20 10 CDCDRO CC(=O)N(C)C1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144515766 931881420 /nfs/dbraw/zinc/88/14/20/931881420.db2.gz XZDAJZLENRKIIX-UHFFFAOYSA-N 1 0 294.351 1.246 20 10 CDCDRO Cc1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC001276169189 932591082 /nfs/dbraw/zinc/59/10/82/932591082.db2.gz NCDZXRBLUHKAHG-ZFWWWQNUSA-N 1 0 262.353 1.215 20 10 CDCDRO C[N@@H+]1CCC[C@@](C)(NC(=O)c2cccc(O)c2O)C1 ZINC001148224496 932672472 /nfs/dbraw/zinc/67/24/72/932672472.db2.gz NEXARCVHGOGCRP-CQSZACIVSA-N 1 0 264.325 1.312 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c1O ZINC000692130459 934546968 /nfs/dbraw/zinc/54/69/68/934546968.db2.gz XWENQVUIWAXWJP-AWEZNQCLSA-N 1 0 262.353 1.665 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)CC[NH2+]1 ZINC001120630523 937819683 /nfs/dbraw/zinc/81/96/83/937819683.db2.gz CCBLTFIQGNYQCG-GWCFXTLKSA-N 1 0 262.357 1.209 20 10 CDCDRO CCN(C(=O)CCc1ccc(O)c(O)c1)[C@@H]1CCC[NH2+]C1 ZINC001161329731 938890544 /nfs/dbraw/zinc/89/05/44/938890544.db2.gz GYGDWJRTJVQLQK-CYBMUJFWSA-N 1 0 292.379 1.631 20 10 CDCDRO COc1ccc(N(CC[NH3+])CCO)c2ccccc12 ZINC001163837152 939340476 /nfs/dbraw/zinc/34/04/76/939340476.db2.gz STLLCDCIAXMMNA-UHFFFAOYSA-N 1 0 260.337 1.606 20 10 CDCDRO CC1(C[NH3+])CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001206717927 939637239 /nfs/dbraw/zinc/63/72/39/939637239.db2.gz HKEMQOBUHMGZNC-UHFFFAOYSA-N 1 0 275.396 1.304 20 10 CDCDRO COc1cccc(C[NH+]2CCC(C)(C(N)=O)CC2)c1O ZINC001203595983 939694822 /nfs/dbraw/zinc/69/48/22/939694822.db2.gz WKPZFFBWMJFRRD-UHFFFAOYSA-N 1 0 278.352 1.488 20 10 CDCDRO COc1ccc(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)c(O)c1 ZINC001203627627 939697829 /nfs/dbraw/zinc/69/78/29/939697829.db2.gz MBXKMPQEQCRZTG-IUODEOHRSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1ccc(O)c(CN2CCn3c(C)ncc3C2)c1 ZINC001203669781 939700168 /nfs/dbraw/zinc/70/01/68/939700168.db2.gz DNKZJNVKACMGCR-UHFFFAOYSA-N 1 0 273.336 1.922 20 10 CDCDRO O=C1NCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]12 ZINC001203664342 939700416 /nfs/dbraw/zinc/70/04/16/939700416.db2.gz ZOKBROZSDDGKJS-JOYOIKCWSA-N 1 0 280.755 1.614 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882965 939711295 /nfs/dbraw/zinc/71/12/95/939711295.db2.gz ZARKOEVBKMQGNR-LLVKDONJSA-N 1 0 265.309 1.483 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCCO1 ZINC001203935777 939715123 /nfs/dbraw/zinc/71/51/23/939715123.db2.gz CWRWYPPOUQUHPC-HNNXBMFYSA-N 1 0 292.379 1.517 20 10 CDCDRO COc1cc(CN2CC[C@](C)([NH3+])C2)c(O)c(OC)c1 ZINC001204800692 939792394 /nfs/dbraw/zinc/79/23/94/939792394.db2.gz GEPILBWRKQYKBQ-AWEZNQCLSA-N 1 0 266.341 1.333 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C[C@H]1O ZINC001205967762 939962070 /nfs/dbraw/zinc/96/20/70/939962070.db2.gz XGFPYMUWZWPLKZ-ZYHUDNBSSA-N 1 0 290.285 1.305 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1Cl ZINC001276527632 940186245 /nfs/dbraw/zinc/18/62/45/940186245.db2.gz TZGAARLGSSPCAY-UWVGGRQHSA-N 1 0 296.754 1.670 20 10 CDCDRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000400252920 940845618 /nfs/dbraw/zinc/84/56/18/940845618.db2.gz OSDPLLRAIWBGSC-NEPJUHHUSA-N 1 0 296.392 1.003 20 10 CDCDRO CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000400252921 940845933 /nfs/dbraw/zinc/84/59/33/940845933.db2.gz OSDPLLRAIWBGSC-NWDGAFQWSA-N 1 0 296.392 1.003 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000402041754 940887100 /nfs/dbraw/zinc/88/71/00/940887100.db2.gz JBOVQLRSHNDLQV-DZGCQCFKSA-N 1 0 276.380 1.790 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)cc1 ZINC001276958418 941732388 /nfs/dbraw/zinc/73/23/88/941732388.db2.gz NTXCJQVZOCTUQX-WMLDXEAASA-N 1 0 287.407 1.983 20 10 CDCDRO CC[NH+](CC)C[C@H](C)Oc1c(O)c(O)c(O)c(O)c1O ZINC001226464691 942009814 /nfs/dbraw/zinc/00/98/14/942009814.db2.gz KZVZPCDXULLUBW-ZETCQYMHSA-N 1 0 287.312 1.324 20 10 CDCDRO CN(C)C(=O)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001277442663 942581034 /nfs/dbraw/zinc/58/10/34/942581034.db2.gz YQATYOJEZNLQLB-UHFFFAOYSA-N 1 0 260.337 1.493 20 10 CDCDRO COc1cccc(C[NH+]2CC3(C[C@@H]3C(=O)N(C)C)C2)c1O ZINC001277452408 942602974 /nfs/dbraw/zinc/60/29/74/942602974.db2.gz UHBHDWXQWVKKBE-GFCCVEGCSA-N 1 0 290.363 1.311 20 10 CDCDRO C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231453164 942897021 /nfs/dbraw/zinc/89/70/21/942897021.db2.gz CNWKGGKLPQUDON-CZUORRHYSA-N 1 0 290.363 1.474 20 10 CDCDRO COc1cc(CN2CCC[N@H+](C)CC2)c(O)cc1O ZINC001231635031 942951025 /nfs/dbraw/zinc/95/10/25/942951025.db2.gz UIDIECNVAXTGTM-UHFFFAOYSA-N 1 0 266.341 1.244 20 10 CDCDRO COc1cc(C[NH+]2CC3(C2)CCOCC3)c(O)cc1O ZINC001231636000 942951813 /nfs/dbraw/zinc/95/18/13/942951813.db2.gz JFFOMPNAIZPFBN-UHFFFAOYSA-N 1 0 279.336 1.719 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)cc1Cl ZINC001232258905 943190185 /nfs/dbraw/zinc/19/01/85/943190185.db2.gz CLIMUKMRPHYRHT-CABZTGNLSA-N 1 0 275.707 1.656 20 10 CDCDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841485 943417638 /nfs/dbraw/zinc/41/76/38/943417638.db2.gz IFZZBIKUZLXLGN-GFCCVEGCSA-N 1 0 292.379 1.843 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC3(CN(C)C3)C2)c(O)c1 ZINC001232841558 943417690 /nfs/dbraw/zinc/41/76/90/943417690.db2.gz JURNKNDKHFKBPE-UHFFFAOYSA-N 1 0 261.369 1.206 20 10 CDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233074317 943485534 /nfs/dbraw/zinc/48/55/34/943485534.db2.gz MTLACJDAXWVDFG-WPRPVWTQSA-N 1 0 257.280 1.873 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)[C@@H]1C ZINC001233485902 943593959 /nfs/dbraw/zinc/59/39/59/943593959.db2.gz PQPQJVRSEWUACY-MWLCHTKSSA-N 1 0 295.335 1.577 20 10 CDCDRO COC(=O)C1(C)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485931 943594005 /nfs/dbraw/zinc/59/40/05/943594005.db2.gz QNILSFHYGMCMDU-UHFFFAOYSA-N 1 0 295.335 1.579 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233485894 943594476 /nfs/dbraw/zinc/59/44/76/943594476.db2.gz PHBHBMRTYFIICL-UHFFFAOYSA-N 1 0 269.297 1.188 20 10 CDCDRO CC(C)(O)[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001263096202 943742811 /nfs/dbraw/zinc/74/28/11/943742811.db2.gz KFTNUMPDLKXEKF-CQSZACIVSA-N 1 0 291.395 1.001 20 10 CDCDRO CC(=O)c1cc(O)c(O)cc1OC1CC[NH+](C)CC1 ZINC001234474275 943858923 /nfs/dbraw/zinc/85/89/23/943858923.db2.gz QLGGYLIFFMWCRR-UHFFFAOYSA-N 1 0 265.309 1.773 20 10 CDCDRO Oc1ccc(F)c(Cl)c1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234994477 944001240 /nfs/dbraw/zinc/00/12/40/944001240.db2.gz XMOCERJQNZNIOA-CQSZACIVSA-N 1 0 299.777 1.322 20 10 CDCDRO NC(=O)C1C[NH+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997472 944004450 /nfs/dbraw/zinc/00/44/50/944004450.db2.gz ZZMXCBMEJMYEHK-UHFFFAOYSA-N 1 0 282.343 1.976 20 10 CDCDRO CN1CCOc2cc(CN3CC[C@H]4[NH2+]CC[C@H]43)ccc21 ZINC001235074321 944043041 /nfs/dbraw/zinc/04/30/41/944043041.db2.gz BXULZHKCCWFDEV-ZIAGYGMSSA-N 1 0 273.380 1.451 20 10 CDCDRO CCOc1cccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235165496 944076213 /nfs/dbraw/zinc/07/62/13/944076213.db2.gz JQOWHOYZTKTWAH-SWLSCSKDSA-N 1 0 262.353 1.714 20 10 CDCDRO COc1cc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)c(OC)c1 ZINC001235994167 944360624 /nfs/dbraw/zinc/36/06/24/944360624.db2.gz SLSJGDGCMQJMHT-ABAIWWIYSA-N 1 0 278.352 1.333 20 10 CDCDRO CN1CCOc2cc(CN3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235998725 944367151 /nfs/dbraw/zinc/36/71/51/944367151.db2.gz ZDUSNTWVPUDBAK-BBRMVZONSA-N 1 0 273.380 1.438 20 10 CDCDRO CCc1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001236783314 944566082 /nfs/dbraw/zinc/56/60/82/944566082.db2.gz JYNHWOCSORGSKN-MRXNPFEDSA-N 1 0 290.407 1.861 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c(O)c1 ZINC001236784680 944566529 /nfs/dbraw/zinc/56/65/29/944566529.db2.gz YIIUMBFCZNDIBE-CYBMUJFWSA-N 1 0 263.337 1.950 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c(O)c1 ZINC001236806915 944573297 /nfs/dbraw/zinc/57/32/97/944573297.db2.gz CLAIVUCKNUQXKG-NWDGAFQWSA-N 1 0 283.343 1.862 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001236814392 944577853 /nfs/dbraw/zinc/57/78/53/944577853.db2.gz RNJMNKNUXBDOJN-LLVKDONJSA-N 1 0 251.326 1.523 20 10 CDCDRO COc1cc(C)c(C[N@H+]2CCc3nccn3CC2)c(O)c1 ZINC001236819814 944579784 /nfs/dbraw/zinc/57/97/84/944579784.db2.gz GXTMOPHPHCTNDT-UHFFFAOYSA-N 1 0 287.363 1.964 20 10 CDCDRO CC(C)c1ccc(CN2CC(=O)N[C@@H](C)C2)c(O)c1 ZINC001237045309 944646975 /nfs/dbraw/zinc/64/69/75/944646975.db2.gz IPJORTOQRPJCPC-NSHDSACASA-N 1 0 262.353 1.836 20 10 CDCDRO O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237402373 944756857 /nfs/dbraw/zinc/75/68/57/944756857.db2.gz HAACHQHXMSWTMS-TZMCWYRMSA-N 1 0 290.363 1.664 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237495618 944816509 /nfs/dbraw/zinc/81/65/09/944816509.db2.gz SXJFFLKMZFHVOZ-CYBMUJFWSA-N 1 0 262.353 1.753 20 10 CDCDRO COc1cc(CN2CC[N@H+](C)[C@H](C)C2)c(O)c(OC)c1 ZINC001237678510 944922846 /nfs/dbraw/zinc/92/28/46/944922846.db2.gz OXYKQKJLVJBYTH-LLVKDONJSA-N 1 0 280.368 1.545 20 10 CDCDRO COc1cc(CN2CC(C)([NH+](C)C)C2)c(O)c(OC)c1 ZINC001237679763 944924587 /nfs/dbraw/zinc/92/45/87/944924587.db2.gz ZYFDCBQXIRXVAB-UHFFFAOYSA-N 1 0 280.368 1.545 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1O ZINC001237687293 944925876 /nfs/dbraw/zinc/92/58/76/944925876.db2.gz XDKPONRRXXSUFH-GXFFZTMASA-N 1 0 294.782 1.922 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237938008 945009467 /nfs/dbraw/zinc/00/94/67/945009467.db2.gz WKWCYTYDHQYNLN-SSDOTTSWSA-N 1 0 272.707 1.492 20 10 CDCDRO Nc1ccc(CNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC001262587937 946742866 /nfs/dbraw/zinc/74/28/66/946742866.db2.gz QFMNGJKSTUQQJG-UHFFFAOYSA-N 1 0 262.357 1.340 20 10 CDCDRO C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H](C)c1ccccc1O ZINC001256324330 948271726 /nfs/dbraw/zinc/27/17/26/948271726.db2.gz RJFWAFYESHDONJ-CHWSQXEVSA-N 1 0 292.379 1.680 20 10 CDCDRO CC(C)(C)[NH2+]C[C@@H](O)CNc1cccc(O)c1O ZINC001253399445 951881747 /nfs/dbraw/zinc/88/17/47/951881747.db2.gz GOHFWQDSSCKNQH-VIFPVBQESA-N 1 0 254.330 1.259 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(C(C)C)ccc1O ZINC001308699448 956563172 /nfs/dbraw/zinc/56/31/72/956563172.db2.gz PYQAYLMQQYXKES-KGLIPLIRSA-N 1 0 293.363 1.624 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1 ZINC001308801941 956582456 /nfs/dbraw/zinc/58/24/56/956582456.db2.gz GOKSILNIYVGHLF-OAHLLOKOSA-N 1 0 278.352 1.468 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC001335286216 959682132 /nfs/dbraw/zinc/68/21/32/959682132.db2.gz WNWRAMSCEFEDRQ-HNNXBMFYSA-N 1 0 273.380 1.856 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@@H](C)C[NH2+]1 ZINC001336290218 960289151 /nfs/dbraw/zinc/28/91/51/960289151.db2.gz KCUWQIFZBHBZCU-MNOVXSKESA-N 1 0 262.357 1.161 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001337837789 961458817 /nfs/dbraw/zinc/45/88/17/961458817.db2.gz FWYCTFZNMWZAIK-UHFFFAOYSA-N 1 0 263.341 1.158 20 10 CDCDRO Nc1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC001342699369 963801762 /nfs/dbraw/zinc/80/17/62/963801762.db2.gz LCRHPMJNSIYYLX-UHFFFAOYSA-N 1 0 261.369 1.665 20 10 CDCDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001345189563 964626861 /nfs/dbraw/zinc/62/68/61/964626861.db2.gz AIWHAICUXDUHIO-IAGOWNOFSA-N 1 0 292.423 1.898 20 10 CDCDRO Nc1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC001346210325 964989631 /nfs/dbraw/zinc/98/96/31/964989631.db2.gz PGTDOVLDMGBXAU-LLVKDONJSA-N 1 0 269.295 1.130 20 10 CDCDRO Cn1cc(/C=C\C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)cn1 ZINC001354511508 968747927 /nfs/dbraw/zinc/74/79/27/968747927.db2.gz GKAZDCXDEFSTFU-LMVHVUTASA-N 1 0 296.374 1.913 20 10 CDCDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(C)c(O)c1O ZINC001577397254 1171657689 /nfs/dbraw/zinc/65/76/89/1171657689.db2.gz SPGDNUMPHCADHG-SNVBAGLBSA-N 1 0 266.341 1.654 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000295141707 199368444 /nfs/dbraw/zinc/36/84/44/199368444.db2.gz ZTZGDLBKLZEVJQ-PWSUYJOCSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1nccc(C[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000294691113 363147417 /nfs/dbraw/zinc/14/74/17/363147417.db2.gz FYLDIIWRKUOCDS-UHFFFAOYSA-N 1 0 272.352 1.841 20 10 CDCDRO C[N@H+](CCN1CCOCC1)Cc1cc(F)ccc1O ZINC000180059922 357240877 /nfs/dbraw/zinc/24/08/77/357240877.db2.gz VQMBWABRBUCZGR-UHFFFAOYSA-N 1 0 268.332 1.295 20 10 CDCDRO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1O ZINC000179904379 357230089 /nfs/dbraw/zinc/23/00/89/357230089.db2.gz OVXZUIFGCHNTET-LLVKDONJSA-N 1 0 283.393 1.868 20 10 CDCDRO C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180882419 357292475 /nfs/dbraw/zinc/29/24/75/357292475.db2.gz JZYPBUDSQNKWLM-GQCTYLIASA-N 1 0 276.336 1.275 20 10 CDCDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000188735319 357932273 /nfs/dbraw/zinc/93/22/73/357932273.db2.gz ZOCUBDWNBNOYRX-CQSZACIVSA-N 1 0 277.412 1.251 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)c(O)c1 ZINC000191734130 358149490 /nfs/dbraw/zinc/14/94/90/358149490.db2.gz RXVHUWNYRPXJQH-NSHDSACASA-N 1 0 280.368 1.747 20 10 CDCDRO CCN1CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1=O ZINC000191537920 358137444 /nfs/dbraw/zinc/13/74/44/358137444.db2.gz GEXHWNXYWJUJLK-UHFFFAOYSA-N 1 0 275.396 1.807 20 10 CDCDRO CC[C@@]1(C(=O)NCCc2ccc(N)cc2)CCC[NH2+]1 ZINC000134368016 361574727 /nfs/dbraw/zinc/57/47/27/361574727.db2.gz DWBALXSKIHKORZ-HNNXBMFYSA-N 1 0 261.369 1.460 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH3+])cc1F ZINC000167741567 364947491 /nfs/dbraw/zinc/94/74/91/364947491.db2.gz HZIQQARRVPDBGG-JTQLQIEISA-N 1 0 267.348 1.635 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000375237244 370798213 /nfs/dbraw/zinc/79/82/13/370798213.db2.gz MXLJHBSSIWGEQB-ZDUSSCGKSA-N 1 0 266.316 1.048 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(O)c1O ZINC000272770566 365388912 /nfs/dbraw/zinc/38/89/12/365388912.db2.gz SBBXUZGCESPEIA-ZWNOBZJWSA-N 1 0 290.363 1.619 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]Cc2nncn2C)c(O)c1C ZINC000273403637 365493421 /nfs/dbraw/zinc/49/34/21/365493421.db2.gz NVLRDKXPWYICJI-NSHDSACASA-N 1 0 260.341 1.988 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1 ZINC000273489343 365500638 /nfs/dbraw/zinc/50/06/38/365500638.db2.gz NXJWIYMFYQTZIA-YGRLFVJLSA-N 1 0 291.351 1.519 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282864728 368075442 /nfs/dbraw/zinc/07/54/42/368075442.db2.gz UVUZCYJAURFEEM-NEPJUHHUSA-N 1 0 281.375 1.877 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)N2CCOCC2)c(O)c1 ZINC000294860357 371098961 /nfs/dbraw/zinc/09/89/61/371098961.db2.gz SXZAQXSTXIMVOB-CYBMUJFWSA-N 1 0 292.379 1.518 20 10 CDCDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000295116481 371131880 /nfs/dbraw/zinc/13/18/80/371131880.db2.gz VVKBHVIKENWXFP-AWEZNQCLSA-N 1 0 264.369 1.985 20 10 CDCDRO C[S@@](=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296573555 371442694 /nfs/dbraw/zinc/44/26/94/371442694.db2.gz VHCWIHLQSHVPQJ-ADLMAVQZSA-N 1 0 265.378 1.880 20 10 CDCDRO O=C(C[C@@]1(O)CCC[NH2+]C1)NCc1cc(Cl)ccc1O ZINC001580497542 1172456015 /nfs/dbraw/zinc/45/60/15/1172456015.db2.gz BJOGINHVVTVSET-AWEZNQCLSA-N 1 0 298.770 1.166 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370798106 390516120 /nfs/dbraw/zinc/51/61/20/390516120.db2.gz IMIKEQRZKILTFI-CYBMUJFWSA-N 1 0 252.289 1.052 20 10 CDCDRO CCCCOCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109773807 390648773 /nfs/dbraw/zinc/64/87/73/390648773.db2.gz HWNLRYJJVRAWCK-UHFFFAOYSA-N 1 0 294.395 1.757 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCCN(C(N)=O)CC2)c1O ZINC000092754107 390896568 /nfs/dbraw/zinc/89/65/68/390896568.db2.gz BVNFETSZPLOJOJ-UHFFFAOYSA-N 1 0 293.367 1.377 20 10 CDCDRO CC(=O)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000131783067 390929802 /nfs/dbraw/zinc/92/98/02/390929802.db2.gz GXJNXLWJWGBGNA-UHFFFAOYSA-N 1 0 268.744 1.710 20 10 CDCDRO CC(C)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000297002649 391063513 /nfs/dbraw/zinc/06/35/13/391063513.db2.gz SUPDBABVRGRJES-STQMWFEESA-N 1 0 274.364 1.978 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000373739382 391130111 /nfs/dbraw/zinc/13/01/11/391130111.db2.gz XFYHGNGIIRHNGN-CORIIIEPSA-N 1 0 274.364 1.786 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271146190 391289022 /nfs/dbraw/zinc/28/90/22/391289022.db2.gz HQXDFTZGKRWIHW-UHFFFAOYSA-N 1 0 267.348 1.460 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1O ZINC000195008151 391374234 /nfs/dbraw/zinc/37/42/34/391374234.db2.gz RBTOWCASOPMXHD-PRHODGIISA-N 1 0 298.770 1.668 20 10 CDCDRO Cc1ccc(O)c(CN2CCOC[C@@]23CCOC3)c1 ZINC000195008978 391374244 /nfs/dbraw/zinc/37/42/44/391374244.db2.gz AQWFRIXSZBEZGB-HNNXBMFYSA-N 1 0 263.337 1.692 20 10 CDCDRO COCCOCCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020191640 171057287 /nfs/dbraw/zinc/05/72/87/171057287.db2.gz NMUIOHGDBDOKOO-UHFFFAOYSA-N 1 0 266.385 1.895 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COCCO2)c1 ZINC000038060297 174070955 /nfs/dbraw/zinc/07/09/55/174070955.db2.gz REUJDEVGAMGEQX-ZYHUDNBSSA-N 1 0 267.325 1.467 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C)OCCO2)c1 ZINC000186211681 262084760 /nfs/dbraw/zinc/08/47/60/262084760.db2.gz XSIPPWRIAQPBAA-JTQLQIEISA-N 1 0 267.325 1.814 20 10 CDCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000186530690 262097579 /nfs/dbraw/zinc/09/75/79/262097579.db2.gz CFPPDKRRGKLTRJ-PCAWENJQSA-N 1 0 251.326 1.818 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1OC ZINC000272529804 263005818 /nfs/dbraw/zinc/00/58/18/263005818.db2.gz AYRYDNFYMLKIOJ-YUELXQCFSA-N 1 0 281.352 1.683 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1O ZINC000180253691 264394727 /nfs/dbraw/zinc/39/47/27/264394727.db2.gz AAVOPJDYFCCKFR-VIFPVBQESA-N 1 0 254.305 1.345 20 10 CDCDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000280900044 328236866 /nfs/dbraw/zinc/23/68/66/328236866.db2.gz PROYVQQRHZGBOH-QJPTWQEYSA-N 1 0 283.343 1.827 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000188496646 329369444 /nfs/dbraw/zinc/36/94/44/329369444.db2.gz MAGZVHDHXFJZHC-WDEREUQCSA-N 1 0 250.342 1.910 20 10 CDCDRO CC(C)[N@H+](CCOCCO)Cc1ccc(N(C)C)cc1 ZINC000265768926 519649839 /nfs/dbraw/zinc/64/98/39/519649839.db2.gz CGADMPROCZUHPV-UHFFFAOYSA-N 1 0 280.412 1.972 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)C[C@H](C)O)c(O)c1 ZINC000130803642 520345412 /nfs/dbraw/zinc/34/54/12/520345412.db2.gz QPYWTLAFSSUQOE-NSHDSACASA-N 1 0 253.342 1.994 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000363750651 521689035 /nfs/dbraw/zinc/68/90/35/521689035.db2.gz NUTACOVRFNVAKP-OAHLLOKOSA-N 1 0 280.343 1.832 20 10 CDCDRO CC[C@@H](C(=O)N(C)Cc1ccccc1O)[NH+](C)C ZINC000126437368 521806008 /nfs/dbraw/zinc/80/60/08/521806008.db2.gz HRIAORDBGCWLQH-LBPRGKRZSA-N 1 0 250.342 1.691 20 10 CDCDRO COc1c(O)c(C[N@H+](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000278139926 521867955 /nfs/dbraw/zinc/86/79/55/521867955.db2.gz AQSPBTFFJSJVBS-UHFFFAOYSA-N 1 0 284.312 1.512 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000279793478 522199644 /nfs/dbraw/zinc/19/96/44/522199644.db2.gz VGTDORZNFKVMLD-INIZCTEOSA-N 1 0 287.407 1.996 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(C)cc1O ZINC000280302042 522708307 /nfs/dbraw/zinc/70/83/07/522708307.db2.gz ZYHBAZSQXBRYFN-YPMHNXCESA-N 1 0 262.353 1.972 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)ccc21 ZINC000299487113 523843999 /nfs/dbraw/zinc/84/39/99/523843999.db2.gz HJKXYFOWGBKWHV-INIZCTEOSA-N 1 0 287.407 1.779 20 10 CDCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000278204365 523932971 /nfs/dbraw/zinc/93/29/71/523932971.db2.gz GWLOVLCCASLAGH-AWEZNQCLSA-N 1 0 291.395 1.049 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000290868846 524009844 /nfs/dbraw/zinc/00/98/44/524009844.db2.gz KCHHZFTZASVWCL-RYUDHWBXSA-N 1 0 271.744 1.857 20 10 CDCDRO COc1ccc(O)c(C[N@H+](CCO)C2CCC2)c1 ZINC000275945560 524738410 /nfs/dbraw/zinc/73/84/10/524738410.db2.gz IUFZJLHOUXTFMT-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000292791915 525338781 /nfs/dbraw/zinc/33/87/81/525338781.db2.gz MOEXMACMYSOAAL-ZDUSSCGKSA-N 1 0 298.408 1.166 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)c1 ZINC000277588868 525347007 /nfs/dbraw/zinc/34/70/07/525347007.db2.gz UQUXAIGDQYQMCE-KPZWWZAWSA-N 1 0 267.394 1.901 20 10 CDCDRO O=S1(=O)CCC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000290568490 527303972 /nfs/dbraw/zinc/30/39/72/527303972.db2.gz SXLCHSPXMGDOJM-SNVBAGLBSA-N 1 0 287.356 1.446 20 10 CDCDRO CCOc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)c(O)c1 ZINC000727644125 574592755 /nfs/dbraw/zinc/59/27/55/574592755.db2.gz HESSNIKXNGDJKS-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)C(C)C ZINC000732817754 575097293 /nfs/dbraw/zinc/09/72/93/575097293.db2.gz KCXZSIIQTFYXEM-CQSZACIVSA-N 1 0 253.342 1.897 20 10 CDCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCNC1=O ZINC000770380048 575442875 /nfs/dbraw/zinc/44/28/75/575442875.db2.gz LIQOKAARCMNUCG-JTQLQIEISA-N 1 0 254.717 1.366 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1 ZINC000773829316 575839967 /nfs/dbraw/zinc/83/99/67/575839967.db2.gz AUTKBSLNVNTVPZ-MRXNPFEDSA-N 1 0 278.396 1.726 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(OC)c(C)c2)CCOC1 ZINC000766469109 576105087 /nfs/dbraw/zinc/10/50/87/576105087.db2.gz NQNZFFKYQJUQKQ-INIZCTEOSA-N 1 0 293.363 1.815 20 10 CDCDRO COC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000746755730 576790682 /nfs/dbraw/zinc/79/06/82/576790682.db2.gz STSLRDHRKUCAFY-UHFFFAOYSA-N 1 0 295.335 1.406 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(F)ccc1O ZINC000756511987 576993216 /nfs/dbraw/zinc/99/32/16/576993216.db2.gz UKFBWYLWHJMVCY-MFKMUULPSA-N 1 0 283.343 1.969 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000759174002 577157305 /nfs/dbraw/zinc/15/73/05/577157305.db2.gz SVOXJLYXRBBGSX-ZFWWWQNUSA-N 1 0 265.353 1.984 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C[NH+](C)C)ccc21 ZINC000169810593 620697307 /nfs/dbraw/zinc/69/73/07/620697307.db2.gz NINTXKJVXRVLJW-UHFFFAOYSA-N 1 0 261.369 1.247 20 10 CDCDRO CN(CCCCCC[NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000892039096 617434169 /nfs/dbraw/zinc/43/41/69/617434169.db2.gz PAFAHDMOTINZKQ-UHFFFAOYSA-N 1 0 292.427 1.972 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCOC2)c(O)c1OC ZINC000893181489 617444261 /nfs/dbraw/zinc/44/42/61/617444261.db2.gz LZPVMCSUSUTBLN-JTQLQIEISA-N 1 0 253.298 1.288 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000892156615 617512661 /nfs/dbraw/zinc/51/26/61/617512661.db2.gz PHEYQSYCEQLLSW-JOYOIKCWSA-N 1 0 299.321 1.750 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000891814441 617604342 /nfs/dbraw/zinc/60/43/42/617604342.db2.gz SKWYKZZUVGGDJS-BZPMIXESSA-N 1 0 290.411 1.850 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000841654590 617608694 /nfs/dbraw/zinc/60/86/94/617608694.db2.gz NSHAWPKNUJIZGA-ZDUSSCGKSA-N 1 0 276.384 1.304 20 10 CDCDRO C[C@@H](NC(=O)NCCC(C)(C)[NH3+])c1ccccc1O ZINC000892847973 617821487 /nfs/dbraw/zinc/82/14/87/617821487.db2.gz SHHKGYBRGOGJJI-SNVBAGLBSA-N 1 0 265.357 1.880 20 10 CDCDRO CC[S@@](=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894259901 618316243 /nfs/dbraw/zinc/31/62/43/618316243.db2.gz IDMBPEUGIPOGRD-GOSISDBHSA-N 1 0 271.382 1.567 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000841825048 618393426 /nfs/dbraw/zinc/39/34/26/618393426.db2.gz XIXPHJYFWLPRTA-ZDUSSCGKSA-N 1 0 292.427 1.988 20 10 CDCDRO CN(C)c1ccc(CN[C@H]2CCC[NH2+]C2)cc1F ZINC000841043879 618678030 /nfs/dbraw/zinc/67/80/30/618678030.db2.gz YHCGLZJEITZQCW-LBPRGKRZSA-N 1 0 251.349 1.733 20 10 CDCDRO CS/C=C\C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297338 618700969 /nfs/dbraw/zinc/70/09/69/618700969.db2.gz HLYPPTNVPCPTOK-LJTDUEICSA-N 1 0 279.409 1.745 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000895041453 619218816 /nfs/dbraw/zinc/21/88/16/619218816.db2.gz UMIOJRZYXBSTBS-UHFFFAOYSA-N 1 0 252.314 1.118 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(C)cc1O ZINC000896616990 620167041 /nfs/dbraw/zinc/16/70/41/620167041.db2.gz HAODWQMJIAGWNE-OAHLLOKOSA-N 1 0 278.396 1.901 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1C ZINC000897057524 620362050 /nfs/dbraw/zinc/36/20/50/620362050.db2.gz DZHYSFTZKJROLT-LBPRGKRZSA-N 1 0 298.408 1.119 20 10 CDCDRO COc1c([O-])c(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841036455 621206061 /nfs/dbraw/zinc/20/60/61/621206061.db2.gz ODTLZDMCYQSFHI-JTQLQIEISA-N 1 0 295.339 1.398 20 10 CDCDRO CN(C)c1ccc([C@H](C[NH2+][C@H]2CCOC2)N(C)C)cc1 ZINC000898451296 621742234 /nfs/dbraw/zinc/74/22/34/621742234.db2.gz WXWDXCPBXXBMKD-HOCLYGCPSA-N 1 0 277.412 1.734 20 10 CDCDRO [NH3+]C[C@@H](NCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000904377082 626274728 /nfs/dbraw/zinc/27/47/28/626274728.db2.gz JIECDNJRKLAEFU-GFCCVEGCSA-N 1 0 274.286 1.991 20 10 CDCDRO C[C@H](CC(=O)NCc1ccc(O)cc1O)n1ccnc1 ZINC000910943877 629125249 /nfs/dbraw/zinc/12/52/49/629125249.db2.gz PNPPTZYXGKDIPA-SNVBAGLBSA-N 1 0 275.308 1.562 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CCC(O)CC2)c1O ZINC000915831885 631834400 /nfs/dbraw/zinc/83/44/00/631834400.db2.gz PSRHRHNXYANCEW-UHFFFAOYSA-N 1 0 251.326 1.666 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCCNC(=O)C2)c1O ZINC000877526612 1166052814 /nfs/dbraw/zinc/05/28/14/1166052814.db2.gz SZADGYGGYLWCHA-NSHDSACASA-N 1 0 264.325 1.159 20 10 CDCDRO C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccn1)c1ccccc1O ZINC001591769865 1173697310 /nfs/dbraw/zinc/69/73/10/1173697310.db2.gz JZTHZGVLGJZXIT-JTQLQIEISA-N 1 0 296.334 1.818 20 10 CDCDRO [NH3+]Cc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000125934589 1175422143 /nfs/dbraw/zinc/42/21/43/1175422143.db2.gz CNZDQHYIGRXKSF-UHFFFAOYSA-N 1 0 258.277 1.809 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[S@@](C)=O ZINC000840938760 726023814 /nfs/dbraw/zinc/02/38/14/726023814.db2.gz GSLKAGLXTZSSIP-KZULUSFZSA-N 1 0 268.426 1.918 20 10 CDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCCCSc1nccs1 ZINC000114375571 726845350 /nfs/dbraw/zinc/84/53/50/726845350.db2.gz BMPLLNNVJAJSHA-JTQLQIEISA-N 1 0 285.438 1.836 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841752595 727156957 /nfs/dbraw/zinc/15/69/57/727156957.db2.gz PWJPYOGIUQTNLB-WCBMZHEXSA-N 1 0 259.733 1.704 20 10 CDCDRO COc1c(O)c(CN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000809729914 726008889 /nfs/dbraw/zinc/00/88/89/726008889.db2.gz SMVGZTRAOJMFBQ-UHFFFAOYSA-N 1 0 297.355 1.693 20 10 CDCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)C(N)=O ZINC000112536903 726009203 /nfs/dbraw/zinc/00/92/03/726009203.db2.gz SQZUAYPFZRZCFQ-DOMZBBRYSA-N 1 0 291.395 1.438 20 10 CDCDRO COc1ccc(CNC(=O)NCCC[NH2+]C2CC2)c(O)c1 ZINC000841918690 726014579 /nfs/dbraw/zinc/01/45/79/726014579.db2.gz ULILOPVQZHVNMH-UHFFFAOYSA-N 1 0 293.367 1.342 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000817946012 726023490 /nfs/dbraw/zinc/02/34/90/726023490.db2.gz PXYFITNLIQCGTC-RYUDHWBXSA-N 1 0 292.379 1.829 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2COCC[C@H]2OC)c1O ZINC000724879994 726052003 /nfs/dbraw/zinc/05/20/03/726052003.db2.gz JXKCOIPRJBVGIN-CHWSQXEVSA-N 1 0 281.352 1.684 20 10 CDCDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000854654198 726053192 /nfs/dbraw/zinc/05/31/92/726053192.db2.gz JKLVQQVVSKXKNL-HHQZKXIDSA-N 1 0 290.363 1.662 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000827914024 726059324 /nfs/dbraw/zinc/05/93/24/726059324.db2.gz VOWKITAREPJZOG-WFASDCNBSA-N 1 0 287.407 1.683 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCC2)c1 ZINC000163993657 726070715 /nfs/dbraw/zinc/07/07/15/726070715.db2.gz ITQHYIOTLLVXQD-SNVBAGLBSA-N 1 0 251.326 1.966 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1Cl ZINC000825266880 726089701 /nfs/dbraw/zinc/08/97/01/726089701.db2.gz NNEYESHLZGTSOZ-CYBMUJFWSA-N 1 0 297.830 1.689 20 10 CDCDRO CCNC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877085575 726133355 /nfs/dbraw/zinc/13/33/55/726133355.db2.gz KRQMZBFNCKVEKT-GFCCVEGCSA-N 1 0 277.368 1.594 20 10 CDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000825624944 726145186 /nfs/dbraw/zinc/14/51/86/726145186.db2.gz TYGGUMGITMFPRL-DGCLKSJQSA-N 1 0 293.386 1.848 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000852855618 726150426 /nfs/dbraw/zinc/15/04/26/726150426.db2.gz KQEDOIMFHCRULU-CQSZACIVSA-N 1 0 275.396 1.757 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1O ZINC000846146612 726163844 /nfs/dbraw/zinc/16/38/44/726163844.db2.gz RHTACKLGGFLRGU-CHWSQXEVSA-N 1 0 294.395 1.772 20 10 CDCDRO CCOc1ccccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000037874984 726175178 /nfs/dbraw/zinc/17/51/78/726175178.db2.gz BVGHAQPYBSMCCD-CYBMUJFWSA-N 1 0 264.369 1.954 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000841955927 726182366 /nfs/dbraw/zinc/18/23/66/726182366.db2.gz RMTPCQUSULSNKK-KGLIPLIRSA-N 1 0 276.384 1.380 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1c(O)cccc1OC ZINC000858202653 726182760 /nfs/dbraw/zinc/18/27/60/726182760.db2.gz GKLQQOBDJORKCV-UHFFFAOYSA-N 1 0 262.313 1.302 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000817996825 726194563 /nfs/dbraw/zinc/19/45/63/726194563.db2.gz LZYGKGCFBLPGAH-COPLHBTASA-N 1 0 292.379 1.966 20 10 CDCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000227975308 726196477 /nfs/dbraw/zinc/19/64/77/726196477.db2.gz XQWFJZXDJQXBPW-DOMZBBRYSA-N 1 0 264.369 1.382 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(c3nccn3C)CC2)c1 ZINC000827891284 726200482 /nfs/dbraw/zinc/20/04/82/726200482.db2.gz GGBJNYKJTFKDNZ-UHFFFAOYSA-N 1 0 286.379 1.756 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c1O ZINC000775984588 726210754 /nfs/dbraw/zinc/21/07/54/726210754.db2.gz GZFWCEUIBZBRGC-RYUDHWBXSA-N 1 0 264.369 1.925 20 10 CDCDRO C[C@@H](N[C@@H](C)C[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817970027 726236297 /nfs/dbraw/zinc/23/62/97/726236297.db2.gz JOQBGXUHCWVDMT-NWDGAFQWSA-N 1 0 281.375 1.660 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c1O ZINC000824925826 726248691 /nfs/dbraw/zinc/24/86/91/726248691.db2.gz FJILHENIBQXOBX-OKILXGFUSA-N 1 0 278.396 1.588 20 10 CDCDRO CO[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785558294 726361558 /nfs/dbraw/zinc/36/15/58/726361558.db2.gz DZXRAZGBDDQTMB-GFCCVEGCSA-N 1 0 282.359 1.787 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000249881358 726372122 /nfs/dbraw/zinc/37/21/22/726372122.db2.gz HQMYMKVUAUJYOH-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000840975265 726805332 /nfs/dbraw/zinc/80/53/32/726805332.db2.gz VHQLHZHTXZULBT-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000843046767 726824838 /nfs/dbraw/zinc/82/48/38/726824838.db2.gz ARGAHQPNHDTPHP-LLVKDONJSA-N 1 0 251.349 1.685 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c1O ZINC000848907887 726829566 /nfs/dbraw/zinc/82/95/66/726829566.db2.gz KGSGNHUQWFKLPY-KBPBESRZSA-N 1 0 292.423 1.842 20 10 CDCDRO CN1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000704346660 726830765 /nfs/dbraw/zinc/83/07/65/726830765.db2.gz YSIMYHJDFUVKGC-VXGBXAGGSA-N 1 0 260.337 1.590 20 10 CDCDRO C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1ccccc1O ZINC000886667938 726842989 /nfs/dbraw/zinc/84/29/89/726842989.db2.gz KXZMAUIBFZZNQN-AVGNSLFASA-N 1 0 265.353 1.973 20 10 CDCDRO C[C@H](O)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000227956493 726849958 /nfs/dbraw/zinc/84/99/58/726849958.db2.gz GINWDAMRDWZGLC-AWEZNQCLSA-N 1 0 278.396 1.774 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(F)ccc1O ZINC000858548850 726877382 /nfs/dbraw/zinc/87/73/82/726877382.db2.gz QAMYAYAMWRSXNG-ZYHUDNBSSA-N 1 0 268.332 1.249 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000384999773 726877516 /nfs/dbraw/zinc/87/75/16/726877516.db2.gz IXSMPHHVMVOUGD-PELKAZGASA-N 1 0 267.300 1.689 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000840949793 726886225 /nfs/dbraw/zinc/88/62/25/726886225.db2.gz CMWVQIUHRVKBSI-ZSHCYNCHSA-N 1 0 260.381 1.731 20 10 CDCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877196029 726888514 /nfs/dbraw/zinc/88/85/14/726888514.db2.gz RLCCNOMIZTWBGD-UONOGXRCSA-N 1 0 292.423 1.897 20 10 CDCDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccccc1O ZINC000228421897 726948653 /nfs/dbraw/zinc/94/86/53/726948653.db2.gz YVOZRYCWAYZUMJ-QXMXGUDHSA-N 1 0 274.364 1.929 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCN(CC)C(=O)C2)c(O)c1 ZINC000787416499 726975486 /nfs/dbraw/zinc/97/54/86/726975486.db2.gz HDNISRAGSQFPKF-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2O)CCC(=O)N1 ZINC000835060323 726989811 /nfs/dbraw/zinc/98/98/11/726989811.db2.gz KBMIHARLJBCTMC-CYBMUJFWSA-N 1 0 268.744 1.804 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000164688168 727002212 /nfs/dbraw/zinc/00/22/12/727002212.db2.gz PFRHIBRQKJXLBL-LLVKDONJSA-N 1 0 256.733 1.205 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1 ZINC000824708988 727002263 /nfs/dbraw/zinc/00/22/63/727002263.db2.gz LQHGQQTZDPVIKQ-MLGOLLRUSA-N 1 0 295.379 1.932 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccccc1O ZINC000717355556 727004822 /nfs/dbraw/zinc/00/48/22/727004822.db2.gz VJEZKOXBXKKGOW-WCQYABFASA-N 1 0 252.358 1.355 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000076275567 727018769 /nfs/dbraw/zinc/01/87/69/727018769.db2.gz GKFCPTKWXNBEQA-KRWDZBQOSA-N 1 0 290.407 1.916 20 10 CDCDRO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000827725947 727052683 /nfs/dbraw/zinc/05/26/83/727052683.db2.gz QPAVGMUXAKTLNZ-STQMWFEESA-N 1 0 291.395 1.295 20 10 CDCDRO COc1c(O)c(CN2CCC(C)([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843108361 727089651 /nfs/dbraw/zinc/08/96/51/727089651.db2.gz SFTSCGRWCCQPGS-UHFFFAOYSA-N 1 0 295.339 1.622 20 10 CDCDRO COc1cc(Cl)cc(CN2CCCN(C=O)CC2)c1O ZINC000827871729 727093382 /nfs/dbraw/zinc/09/33/82/727093382.db2.gz IDKNOSSLHHSSCV-UHFFFAOYSA-N 1 0 298.770 1.718 20 10 CDCDRO COc1cccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226770 727094139 /nfs/dbraw/zinc/09/41/39/727094139.db2.gz ZACXCPIBEHGVTH-IUODEOHRSA-N 1 0 262.353 1.714 20 10 CDCDRO Oc1c(F)cccc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000841027001 727104769 /nfs/dbraw/zinc/10/47/69/727104769.db2.gz HFEUVACSWKBBFS-GXFFZTMASA-N 1 0 250.317 1.715 20 10 CDCDRO Cc1ccc(O)c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000228365308 727114266 /nfs/dbraw/zinc/11/42/66/727114266.db2.gz DHMACDULHZNZAU-SMDDNHRTSA-N 1 0 250.342 1.249 20 10 CDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840957895 727128363 /nfs/dbraw/zinc/12/83/63/727128363.db2.gz LVJVVCZFKNASHT-SNVBAGLBSA-N 1 0 282.771 1.956 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000839130753 727128552 /nfs/dbraw/zinc/12/85/52/727128552.db2.gz XSHKRKRAOWBINP-UHFFFAOYSA-N 1 0 296.342 1.738 20 10 CDCDRO COCC1([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000776251614 727167004 /nfs/dbraw/zinc/16/70/04/727167004.db2.gz OLFQHTCQQOOPEE-UHFFFAOYSA-N 1 0 267.325 1.678 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000873177325 727244009 /nfs/dbraw/zinc/24/40/09/727244009.db2.gz FHEXNGYEYTYSCQ-UMSPYCQHSA-N 1 0 251.326 1.651 20 10 CDCDRO CCc1cccc(C[NH2+]CCC2(O)CCOCC2)c1O ZINC000848911952 727258606 /nfs/dbraw/zinc/25/86/06/727258606.db2.gz ZUSGGYNQWPZBFH-UHFFFAOYSA-N 1 0 279.380 1.976 20 10 CDCDRO Cc1cc(C(=O)N(C)C[C@H](C)[NH3+])c(C)n1-c1ccccn1 ZINC000877103163 727259924 /nfs/dbraw/zinc/25/99/24/727259924.db2.gz KGGWOHOIGXBUIA-NSHDSACASA-N 1 0 286.379 1.908 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c(O)c1 ZINC000877112479 727271393 /nfs/dbraw/zinc/27/13/93/727271393.db2.gz WBAFKFQJQHIYJJ-LBPRGKRZSA-N 1 0 269.366 1.367 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)N(C)Cc1ccccc1O ZINC000841944120 727289129 /nfs/dbraw/zinc/28/91/29/727289129.db2.gz WVYHBGYRULICAO-LBPRGKRZSA-N 1 0 265.357 1.517 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2O)c2c1c(F)ccc2O ZINC000834897966 727293468 /nfs/dbraw/zinc/29/34/68/727293468.db2.gz XSULCXBUFYLBEX-UGKPPGOTSA-N 1 0 267.300 1.429 20 10 CDCDRO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1ccc(N(C)C)cc1 ZINC000841882271 727295502 /nfs/dbraw/zinc/29/55/02/727295502.db2.gz HTMXCMZLFXIPGD-IUODEOHRSA-N 1 0 290.411 1.946 20 10 CDCDRO CN1CC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000712572389 727352308 /nfs/dbraw/zinc/35/23/08/727352308.db2.gz NPRYCFKHEALFTJ-SECBINFHSA-N 1 0 285.185 1.948 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc(C)cc1O ZINC000877633370 727369950 /nfs/dbraw/zinc/36/99/50/727369950.db2.gz JAYFERZMGAMCLC-UHFFFAOYSA-N 1 0 252.314 1.488 20 10 CDCDRO O=C(CCC1CC[NH2+]CC1)NCc1ccccc1O ZINC000228421700 727390428 /nfs/dbraw/zinc/39/04/28/727390428.db2.gz RDUOSKGBVPOZOB-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816509691 727391637 /nfs/dbraw/zinc/39/16/37/727391637.db2.gz YXSYIIOGVUACAG-CQSZACIVSA-N 1 0 273.332 1.739 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877046010 727394824 /nfs/dbraw/zinc/39/48/24/727394824.db2.gz GVTIDNZNDLBHEL-AWEZNQCLSA-N 1 0 264.369 1.511 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843118028 727401111 /nfs/dbraw/zinc/40/11/11/727401111.db2.gz ZGEZTWPWWBMFQE-AWEZNQCLSA-N 1 0 250.342 1.572 20 10 CDCDRO CCC(CC)(C[NH3+])C(=O)NCc1ccccc1O ZINC000228420524 727424795 /nfs/dbraw/zinc/42/47/95/727424795.db2.gz OCLFICXVAPZHIY-UHFFFAOYSA-N 1 0 250.342 1.774 20 10 CDCDRO CSC[C@@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923286151 727450055 /nfs/dbraw/zinc/45/00/55/727450055.db2.gz IFIQJHPPLNSBCB-ZDUSSCGKSA-N 1 0 266.410 1.622 20 10 CDCDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cccc(C)c1O ZINC000843122405 727458722 /nfs/dbraw/zinc/45/87/22/727458722.db2.gz CAMYJBJHQJSKSJ-CYBMUJFWSA-N 1 0 278.352 1.038 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](O)CC2)cc1OC ZINC000816667390 727788359 /nfs/dbraw/zinc/78/83/59/727788359.db2.gz LZHMVYDAIPVIEV-LBPRGKRZSA-N 1 0 281.352 1.756 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(O)c1 ZINC000824893675 727791996 /nfs/dbraw/zinc/79/19/96/727791996.db2.gz YFPMYBSHWQWBGM-SWLSCSKDSA-N 1 0 276.380 1.927 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN(C)CC ZINC000846807125 727852933 /nfs/dbraw/zinc/85/29/33/727852933.db2.gz AAQLGMHVUHKSIQ-HNNXBMFYSA-N 1 0 280.412 1.917 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(F)ccc1O ZINC000094617264 727857674 /nfs/dbraw/zinc/85/76/74/727857674.db2.gz NPTJOIUWQJREFA-SKDRFNHKSA-N 1 0 266.316 1.851 20 10 CDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841781406 727864597 /nfs/dbraw/zinc/86/45/97/727864597.db2.gz XMIDOZIKELRWCD-CYBMUJFWSA-N 1 0 292.427 1.841 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000839195594 727867824 /nfs/dbraw/zinc/86/78/24/727867824.db2.gz LGPRAEVZJVIZDH-SECBINFHSA-N 1 0 298.770 1.670 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362683 727873592 /nfs/dbraw/zinc/87/35/92/727873592.db2.gz NPFXUSHNUFQARO-GXSJLCMTSA-N 1 0 280.343 1.903 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[NH3+] ZINC000841989709 727896158 /nfs/dbraw/zinc/89/61/58/727896158.db2.gz WLIZJTWNLMERIN-LLVKDONJSA-N 1 0 265.357 1.661 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC=CC3)C1)OCO2 ZINC000172932692 727924346 /nfs/dbraw/zinc/92/43/46/727924346.db2.gz QPQAWAHUWARGQI-CYBMUJFWSA-N 1 0 288.347 1.567 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000784621382 727931133 /nfs/dbraw/zinc/93/11/33/727931133.db2.gz OYYLCRAGMCTFIV-NSHDSACASA-N 1 0 299.392 1.458 20 10 CDCDRO CC[C@@]1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000785513129 727945845 /nfs/dbraw/zinc/94/58/45/727945845.db2.gz CYWJMEBRRZYZJP-HOCLYGCPSA-N 1 0 293.363 1.819 20 10 CDCDRO COCCOCC[N@H+](C)Cc1ccc(C)cc1O ZINC000877535785 727967172 /nfs/dbraw/zinc/96/71/72/727967172.db2.gz DXBAMQHFZGETJB-UHFFFAOYSA-N 1 0 253.342 1.795 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000828666753 727973797 /nfs/dbraw/zinc/97/37/97/727973797.db2.gz IFMAQEXJKVZNAD-NXEZZACHSA-N 1 0 278.352 1.719 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CC2(CO)CC2)c1O ZINC000228675884 727976011 /nfs/dbraw/zinc/97/60/11/727976011.db2.gz QFWLJBONZZJFFR-UHFFFAOYSA-N 1 0 271.744 1.916 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@@H](F)C[C@H]2C[NH2+]C)c1 ZINC000843122420 728001723 /nfs/dbraw/zinc/00/17/23/728001723.db2.gz SHEANRTZYWJCFD-STQMWFEESA-N 1 0 282.359 1.923 20 10 CDCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000706492694 728002257 /nfs/dbraw/zinc/00/22/57/728002257.db2.gz WMORWUNIPIQJBS-MGCOHNPYSA-N 1 0 251.282 1.388 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000779191383 728084594 /nfs/dbraw/zinc/08/45/94/728084594.db2.gz HTGWUWSPNMSIGJ-GFCCVEGCSA-N 1 0 273.336 1.702 20 10 CDCDRO COCC(COC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000388390506 728091365 /nfs/dbraw/zinc/09/13/65/728091365.db2.gz BPHKDWRZYRZKFP-UHFFFAOYSA-N 1 0 252.358 1.504 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCNC2=O)cc1 ZINC000886742680 728126493 /nfs/dbraw/zinc/12/64/93/728126493.db2.gz HFGSGDMJZWWOOC-CYBMUJFWSA-N 1 0 290.411 1.819 20 10 CDCDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000817411525 728134718 /nfs/dbraw/zinc/13/47/18/728134718.db2.gz TXKBYYMNKRUNGW-XYPYZODXSA-N 1 0 280.343 1.913 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@H+](C)CC(=O)N2CCOCC2)c1 ZINC000164315184 728215900 /nfs/dbraw/zinc/21/59/00/728215900.db2.gz YQCMOCCLPQGEHX-UHFFFAOYSA-N 1 0 292.379 1.300 20 10 CDCDRO CC[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccccc1O ZINC000878363008 728223036 /nfs/dbraw/zinc/22/30/36/728223036.db2.gz OAOITQKFPRBRRR-NSHDSACASA-N 1 0 299.334 1.364 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000220318389 728232751 /nfs/dbraw/zinc/23/27/51/728232751.db2.gz IIMQHHHFGHSVAB-OLZOCXBDSA-N 1 0 250.317 1.858 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1OC ZINC000825183405 728240726 /nfs/dbraw/zinc/24/07/26/728240726.db2.gz MPRKICOXTFNOIQ-ZYHUDNBSSA-N 1 0 281.352 1.660 20 10 CDCDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000817412050 728245633 /nfs/dbraw/zinc/24/56/33/728245633.db2.gz BUZGNPVEKLVEHM-GHMZBOCLSA-N 1 0 279.336 1.571 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC[NH2+]1 ZINC000841062206 728316553 /nfs/dbraw/zinc/31/65/53/728316553.db2.gz SXWLWQGFWZOVHJ-MWLCHTKSSA-N 1 0 264.325 1.351 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cccnc2)cc1 ZINC000832267590 728328044 /nfs/dbraw/zinc/32/80/44/728328044.db2.gz WTOBSIGMMADZGU-MRXNPFEDSA-N 1 0 298.390 1.506 20 10 CDCDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000850548116 728346594 /nfs/dbraw/zinc/34/65/94/728346594.db2.gz XWGZKJOFEVSGHI-SNVBAGLBSA-N 1 0 282.340 1.750 20 10 CDCDRO C[NH2+]CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843486610 728359889 /nfs/dbraw/zinc/35/98/89/728359889.db2.gz WUTZFIMZRHDYDN-UHFFFAOYSA-N 1 0 263.385 1.709 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000843119742 728371299 /nfs/dbraw/zinc/37/12/99/728371299.db2.gz GRDVQDOCVIFFSV-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000132626042 728375662 /nfs/dbraw/zinc/37/56/62/728375662.db2.gz GMZRGJMKAGHYHO-NOZJJQNGSA-N 1 0 270.760 1.594 20 10 CDCDRO COCCCNC(=O)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876550673 1165869499 /nfs/dbraw/zinc/86/94/99/1165869499.db2.gz ASMDRQGLGIFOHX-UHFFFAOYSA-N 1 0 280.368 1.285 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c(O)c1 ZINC000877545680 1166053714 /nfs/dbraw/zinc/05/37/14/1166053714.db2.gz LIVOIKHKRJJOJB-UHFFFAOYSA-N 1 0 297.420 1.957 20 10 CDCDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000221163946 1166541882 /nfs/dbraw/zinc/54/18/82/1166541882.db2.gz RCQBDHDICQPFDE-QGZVFWFLSA-N 1 0 289.423 1.707 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CCN(CCCO)CC2)c1O ZINC001140178332 895200959 /nfs/dbraw/zinc/20/09/59/895200959.db2.gz IKLGVNAIKBOFJY-UHFFFAOYSA-N 1 0 278.396 1.509 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCS(C)(=O)=O)c(O)c1 ZINC000037740603 895251639 /nfs/dbraw/zinc/25/16/39/895251639.db2.gz NPZPWHOIGZLOFH-JTQLQIEISA-N 1 0 257.355 1.396 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1C[NH3+] ZINC001205140553 914067775 /nfs/dbraw/zinc/06/77/75/914067775.db2.gz NIKUQFGOKGOOCO-DTWKUNHWSA-N 1 0 256.296 1.697 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(C3COC3)CC2)c(O)c1 ZINC001140948691 898964786 /nfs/dbraw/zinc/96/47/86/898964786.db2.gz VUMYWRUGFHLCKU-UHFFFAOYSA-N 1 0 262.353 1.217 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC001140958231 899059409 /nfs/dbraw/zinc/05/94/09/899059409.db2.gz VDXBOWJCOFGRRG-LBPRGKRZSA-N 1 0 262.353 1.753 20 10 CDCDRO Oc1ccc(CN2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222237950 899965800 /nfs/dbraw/zinc/96/58/00/899965800.db2.gz XUCGDBIRKRICAG-HNNXBMFYSA-N 1 0 262.353 1.816 20 10 CDCDRO C[N@H+](CCO)Cc1c([O-])cc(Br)cc1F ZINC001236256553 914832303 /nfs/dbraw/zinc/83/23/03/914832303.db2.gz OSAURRHTRWSDRQ-UHFFFAOYSA-N 1 0 278.121 1.718 20 10 CDCDRO CO[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000921999170 921240079 /nfs/dbraw/zinc/24/00/79/921240079.db2.gz IQIPZOCCALYBSY-INIZCTEOSA-N 1 0 277.364 1.907 20 10 CDCDRO CCC[N@H+](CCO)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000305733393 906743042 /nfs/dbraw/zinc/74/30/42/906743042.db2.gz OWLKNGGAOIDOBN-UHFFFAOYSA-N 1 0 296.386 1.867 20 10 CDCDRO COc1cc(O)c(CN2CC[C@](C)([NH3+])C2)cc1OC ZINC001204800882 906847141 /nfs/dbraw/zinc/84/71/41/906847141.db2.gz HYDLRKPWPGTMEO-AWEZNQCLSA-N 1 0 266.341 1.333 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCC(=O)NC)c1O ZINC000179409656 910054629 /nfs/dbraw/zinc/05/46/29/910054629.db2.gz XUTPIIBHLSBGCX-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000696018009 911617241 /nfs/dbraw/zinc/61/72/41/911617241.db2.gz KZTGZIPFFDCEPH-JTQLQIEISA-N 1 0 251.326 1.651 20 10 CDCDRO COc1ccc(CN2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205064785 911874565 /nfs/dbraw/zinc/87/45/65/911874565.db2.gz VJLGBUUBPRDZIF-JQWIXIFHSA-N 1 0 250.342 1.712 20 10 CDCDRO Cc1cc(F)cc(CN2C[C@H]([NH3+])C[C@H](F)C2)c1O ZINC001206443881 916884351 /nfs/dbraw/zinc/88/43/51/916884351.db2.gz ABXALNSYOPNPIM-NWDGAFQWSA-N 1 0 256.296 1.711 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000069912453 916959757 /nfs/dbraw/zinc/95/97/57/916959757.db2.gz MJHUKUHQMWYICD-CQSZACIVSA-N 1 0 251.326 1.109 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COC(C)C)c1 ZINC000182362532 917281365 /nfs/dbraw/zinc/28/13/65/917281365.db2.gz OQDIAKRQDPBGIU-VXGBXAGGSA-N 1 0 283.368 1.837 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c2ccccc2n1C ZINC001138252858 936501653 /nfs/dbraw/zinc/50/16/53/936501653.db2.gz WYXYYKDDLRBYLW-SUMWQHHRSA-N 1 0 288.391 1.662 20 10 CDCDRO CN1CCCc2cc(C[N@H+]3CCC(=O)N(C)CC3)ccc21 ZINC001138358102 936525752 /nfs/dbraw/zinc/52/57/52/936525752.db2.gz MGAQVNRDFPXWSK-UHFFFAOYSA-N 1 0 287.407 1.733 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1O ZINC001203596856 919266857 /nfs/dbraw/zinc/26/68/57/919266857.db2.gz PCYJHYNQENJWRN-LBPRGKRZSA-N 1 0 298.333 1.926 20 10 CDCDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921847400 920625731 /nfs/dbraw/zinc/62/57/31/920625731.db2.gz IVYHTKOKXVMDDI-LBPRGKRZSA-N 1 0 297.420 1.924 20 10 CDCDRO Oc1ccc(F)cc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001140057820 936675206 /nfs/dbraw/zinc/67/52/06/936675206.db2.gz OSEWGJCHSBQNPO-CYBMUJFWSA-N 1 0 281.327 1.647 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC001140742187 936748065 /nfs/dbraw/zinc/74/80/65/936748065.db2.gz JPOJELYPUQZQDE-CABZTGNLSA-N 1 0 251.326 1.609 20 10 CDCDRO CC[N@@H+]1CCN(Cc2c(O)cc(OC)cc2OC)C[C@H]1C ZINC001141032385 936795941 /nfs/dbraw/zinc/79/59/41/936795941.db2.gz AEKCVXVPFZNCHF-GFCCVEGCSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(O)c(CN(C)[C@H]2CC[N@H+](C)C2)c(OC)c1 ZINC001141028683 936793995 /nfs/dbraw/zinc/79/39/95/936793995.db2.gz ZRIDQJLOKFCJIW-NSHDSACASA-N 1 0 280.368 1.545 20 10 CDCDRO COc1cc(O)c(CN(C)[C@@H]2CC[N@H+](C)C2)c(OC)c1 ZINC001141028682 936794346 /nfs/dbraw/zinc/79/43/46/936794346.db2.gz ZRIDQJLOKFCJIW-LLVKDONJSA-N 1 0 280.368 1.545 20 10 CDCDRO Nc1ccc(CNc2cc3c(nn2)CC[NH2+]C3)cc1 ZINC001162786179 923072375 /nfs/dbraw/zinc/07/23/75/923072375.db2.gz SJHOCMMEMMIZOA-UHFFFAOYSA-N 1 0 255.325 1.317 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162451 936822868 /nfs/dbraw/zinc/82/28/68/936822868.db2.gz RXPXYSGAYRYJNH-LBPRGKRZSA-N 1 0 264.325 1.150 20 10 CDCDRO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162202 936823227 /nfs/dbraw/zinc/82/32/27/936823227.db2.gz MIALPQXIDJIBPJ-CYBMUJFWSA-N 1 0 292.379 1.834 20 10 CDCDRO CCOc1ccc(C[NH2+]CCO[C@H]2CCOC2)c(O)c1 ZINC000922939285 923374278 /nfs/dbraw/zinc/37/42/78/923374278.db2.gz NQBUHAOWTNOALC-AWEZNQCLSA-N 1 0 281.352 1.686 20 10 CDCDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875544 925122566 /nfs/dbraw/zinc/12/25/66/925122566.db2.gz PNBAHOXUOFWEFU-AWEZNQCLSA-N 1 0 251.326 1.835 20 10 CDCDRO CN1CCCc2cc(CNC(=O)N3CC[NH2+]CC3)ccc21 ZINC000841760344 937013718 /nfs/dbraw/zinc/01/37/18/937013718.db2.gz UOMOGYQONXISTO-UHFFFAOYSA-N 1 0 288.395 1.184 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841760488 937013800 /nfs/dbraw/zinc/01/38/00/937013800.db2.gz WHCNBRYBFBIPQP-GFCCVEGCSA-N 1 0 290.411 1.463 20 10 CDCDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776151408 926250846 /nfs/dbraw/zinc/25/08/46/926250846.db2.gz MKTKJYCDSGBDJU-HNNXBMFYSA-N 1 0 291.439 1.953 20 10 CDCDRO CCOc1ccc(O)c(CN2CCC[C@@H]([NH2+]C)C2)c1 ZINC000843048735 937106463 /nfs/dbraw/zinc/10/64/63/937106463.db2.gz VAOGGEOUXCLJAX-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850282298 927408624 /nfs/dbraw/zinc/40/86/24/927408624.db2.gz WRIVQGTXRNSFKF-LBPRGKRZSA-N 1 0 297.395 1.795 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1O ZINC000691439544 928635473 /nfs/dbraw/zinc/63/54/73/928635473.db2.gz ZHVPDSLWVAPNLX-ABAIWWIYSA-N 1 0 265.353 1.584 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCCNC2=O)cc1F ZINC000858095680 928801792 /nfs/dbraw/zinc/80/17/92/928801792.db2.gz RPTVDRKLQYAHEH-CYBMUJFWSA-N 1 0 297.349 1.789 20 10 CDCDRO COc1cccc(O)c1CN1CCNC(=O)[C@@H]1CC(C)C ZINC000783728687 937279472 /nfs/dbraw/zinc/27/94/72/937279472.db2.gz QOCYCXCJSIFHLK-ZDUSSCGKSA-N 1 0 292.379 1.747 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000697580935 937283838 /nfs/dbraw/zinc/28/38/38/937283838.db2.gz XUICKBNNTCHNMZ-QWRGUYRKSA-N 1 0 271.382 1.784 20 10 CDCDRO C[C@H]1CC[N@H+](CC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001152574564 937371323 /nfs/dbraw/zinc/37/13/23/937371323.db2.gz YIDSVLWWCXZIEU-NSHDSACASA-N 1 0 260.337 1.576 20 10 CDCDRO CC(C)COC[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882917153 930099963 /nfs/dbraw/zinc/09/99/63/930099963.db2.gz FOVKEDSQCABXCW-LBPRGKRZSA-N 1 0 289.322 1.794 20 10 CDCDRO Cn1nncc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816613040 930325846 /nfs/dbraw/zinc/32/58/46/930325846.db2.gz GRMXRYQPZOTXED-UHFFFAOYSA-N 1 0 268.320 1.964 20 10 CDCDRO COC(=O)C1(C)C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000822534609 931169357 /nfs/dbraw/zinc/16/93/57/931169357.db2.gz PQPZODPGBSUQFI-UHFFFAOYSA-N 1 0 262.353 1.748 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CC2(CO)COC2)cc1 ZINC000844402066 931594749 /nfs/dbraw/zinc/59/47/49/931594749.db2.gz TWDMYRLYAAWPCF-UHFFFAOYSA-N 1 0 294.395 1.072 20 10 CDCDRO CCN1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499798 931858172 /nfs/dbraw/zinc/85/81/72/931858172.db2.gz JLPICIKZIHDUAN-UHFFFAOYSA-N 1 0 266.341 1.331 20 10 CDCDRO COC[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500136 931858901 /nfs/dbraw/zinc/85/89/01/931858901.db2.gz PQCPDMRBVNRMJC-VIFPVBQESA-N 1 0 253.298 1.414 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1C ZINC001144519905 931872096 /nfs/dbraw/zinc/87/20/96/931872096.db2.gz CLGXNGZHLYIAAL-WPRPVWTQSA-N 1 0 281.308 1.044 20 10 CDCDRO CN(CC[NH+]1CCCCC1)C(=O)c1cccc(O)c1O ZINC000846614458 932085454 /nfs/dbraw/zinc/08/54/54/932085454.db2.gz OJRHAZGTTVUAQN-UHFFFAOYSA-N 1 0 278.352 1.656 20 10 CDCDRO Cc1cccc(C[NH+]2CC3(CCN3Cc3cn[nH]c3)C2)c1O ZINC001276079953 932495187 /nfs/dbraw/zinc/49/51/87/932495187.db2.gz HRLVXURZLXLPID-UHFFFAOYSA-N 1 0 298.390 1.884 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c(O)c1 ZINC001276169863 932592216 /nfs/dbraw/zinc/59/22/16/932592216.db2.gz YOVJZPQKBJQOHK-OKILXGFUSA-N 1 0 262.353 1.215 20 10 CDCDRO CCN(CC)c1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1F ZINC000925566179 932907236 /nfs/dbraw/zinc/90/72/36/932907236.db2.gz FQUSWDDTJCVOMT-CQSZACIVSA-N 1 0 295.402 1.750 20 10 CDCDRO C[C@@H](NC(=O)NCC[C@H](C)[NH3+])c1ccccc1O ZINC001119478547 937723824 /nfs/dbraw/zinc/72/38/24/937723824.db2.gz ZICMTJPDLBUNBV-VHSXEESVSA-N 1 0 251.330 1.490 20 10 CDCDRO Cc1cc(C)c(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(O)c1 ZINC001276364687 935180731 /nfs/dbraw/zinc/18/07/31/935180731.db2.gz CKSQMGQTWWQNKG-HOCLYGCPSA-N 1 0 276.380 1.524 20 10 CDCDRO COc1ccc(O)c([C@@H](C)Nc2nccnc2C[NH3+])c1 ZINC001120811994 937838205 /nfs/dbraw/zinc/83/82/05/937838205.db2.gz FYXFJPJEDJZZQR-SECBINFHSA-N 1 0 274.324 1.823 20 10 CDCDRO [NH3+][C@H]1Cc2ccccc2N(c2nccc3c2NC(=O)C3)C1 ZINC001162843089 939151435 /nfs/dbraw/zinc/15/14/35/939151435.db2.gz BBBNYPIJCZKSIW-LBPRGKRZSA-N 1 0 280.331 1.598 20 10 CDCDRO CNc1ccccc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163027606 939181328 /nfs/dbraw/zinc/18/13/28/939181328.db2.gz PWANGZMVZYRMBV-UHFFFAOYSA-N 1 0 272.356 1.425 20 10 CDCDRO COc1ccc(N(CC[NH3+])CCO)cc1C(F)(F)F ZINC001163831453 939338794 /nfs/dbraw/zinc/33/87/94/939338794.db2.gz BAMZJGAANOASPD-UHFFFAOYSA-N 1 0 278.274 1.471 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C(C)=O)[C@@H](C)C2)c1O ZINC001203600168 939695461 /nfs/dbraw/zinc/69/54/61/939695461.db2.gz USMQIDSPFWRPIX-NSHDSACASA-N 1 0 278.352 1.453 20 10 CDCDRO COc1cccc(C[NH+]2CCC3(CCC(=O)N3)CC2)c1O ZINC001203602022 939695640 /nfs/dbraw/zinc/69/56/40/939695640.db2.gz WWIRKGKVUFKHMD-UHFFFAOYSA-N 1 0 290.363 1.645 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c1O ZINC001203602970 939695993 /nfs/dbraw/zinc/69/59/93/939695993.db2.gz DOPYZBDCNAUTPW-GOEBONIOSA-N 1 0 295.379 1.356 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001203620414 939696558 /nfs/dbraw/zinc/69/65/58/939696558.db2.gz FBEQFMYXKKPFDE-AAEUAGOBSA-N 1 0 255.289 1.306 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC001203621691 939697080 /nfs/dbraw/zinc/69/70/80/939697080.db2.gz YXJLEFFSXKQOGJ-NSHDSACASA-N 1 0 265.309 1.396 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)c1 ZINC001203620942 939697164 /nfs/dbraw/zinc/69/71/64/939697164.db2.gz KJHJPVFIVKNJDG-CQSZACIVSA-N 1 0 251.326 1.605 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(OC)cc1O ZINC001203635460 939698902 /nfs/dbraw/zinc/69/89/02/939698902.db2.gz WKUVMQZFBYJLRG-STQMWFEESA-N 1 0 262.353 1.679 20 10 CDCDRO O=C1CCCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)N1 ZINC001203876867 939710285 /nfs/dbraw/zinc/71/02/85/939710285.db2.gz KWWDHRQXJIUBRL-UHFFFAOYSA-N 1 0 290.363 1.733 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001203880906 939711278 /nfs/dbraw/zinc/71/12/78/939711278.db2.gz CGBDILWITRDLIU-QWHCGFSZSA-N 1 0 262.353 1.624 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(O)cc1O ZINC001204278799 939751055 /nfs/dbraw/zinc/75/10/55/939751055.db2.gz JZGKKQISNUDKKP-UHFFFAOYSA-N 1 0 280.368 1.252 20 10 CDCDRO O=C1OCCN1C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204279294 939752353 /nfs/dbraw/zinc/75/23/53/939752353.db2.gz WCYSCMUXRRHCAD-UHFFFAOYSA-N 1 0 292.335 1.514 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204279065 939752549 /nfs/dbraw/zinc/75/25/49/939752549.db2.gz PDGLPMYNOJNSLN-UHFFFAOYSA-N 1 0 251.282 1.093 20 10 CDCDRO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001205075811 939820593 /nfs/dbraw/zinc/82/05/93/939820593.db2.gz OGKHUASHQVTXMZ-IUCAKERBSA-N 1 0 252.314 1.115 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2cc(O)ccc2O)CCC1(F)F ZINC001205779116 939935635 /nfs/dbraw/zinc/93/56/35/939935635.db2.gz JTWJXUVYOTUDFY-JTQLQIEISA-N 1 0 272.295 1.514 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(OC)c1 ZINC001205829763 939942300 /nfs/dbraw/zinc/94/23/00/939942300.db2.gz PQHSYHSAYNKEMV-NWDGAFQWSA-N 1 0 294.395 1.969 20 10 CDCDRO C[C@@H]1CCN(Cc2ccc(N(C)C)cc2O)C[C@@H]1[NH3+] ZINC001205880474 939950270 /nfs/dbraw/zinc/95/02/70/939950270.db2.gz IUCSBQBZFFHNLW-RISCZKNCSA-N 1 0 263.385 1.627 20 10 CDCDRO Cc1cccc(O)c1CN1C[C@H]([NH3+])CC(F)(F)C1 ZINC001206146043 939986613 /nfs/dbraw/zinc/98/66/13/939986613.db2.gz OTYXPBJGJBSULG-SNVBAGLBSA-N 1 0 256.296 1.869 20 10 CDCDRO COc1cc(C)c(CN2C[C@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206146001 939986675 /nfs/dbraw/zinc/98/66/75/939986675.db2.gz NLVOCUGNOJLJFE-SNVBAGLBSA-N 1 0 286.322 1.878 20 10 CDCDRO C[NH2+][C@H]1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)CC1 ZINC001218189845 941043476 /nfs/dbraw/zinc/04/34/76/941043476.db2.gz LPBQPCPOFYRMQX-MGCOHNPYSA-N 1 0 289.335 1.950 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001219663747 941374387 /nfs/dbraw/zinc/37/43/87/941374387.db2.gz QMYHZNVIJQILIQ-DTWKUNHWSA-N 1 0 298.770 1.727 20 10 CDCDRO [NH3+][C@H](C(=O)NCc1ccccc1O)C1Cc2ccccc2C1 ZINC001219923668 941396594 /nfs/dbraw/zinc/39/65/94/941396594.db2.gz WLCLPMCCXYODOZ-KRWDZBQOSA-N 1 0 296.370 1.751 20 10 CDCDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC001219981099 941401808 /nfs/dbraw/zinc/40/18/08/941401808.db2.gz WYWNKZJAUGSTRW-CQSZACIVSA-N 1 0 275.396 1.659 20 10 CDCDRO C[NH+]1CC2(C1)CCCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001276830178 941595560 /nfs/dbraw/zinc/59/55/60/941595560.db2.gz IFXMKHPMIXYHCS-UHFFFAOYSA-N 1 0 278.352 1.331 20 10 CDCDRO COc1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)cc1C ZINC001276925494 941702766 /nfs/dbraw/zinc/70/27/66/941702766.db2.gz CSSWNIXMXGFODU-UHFFFAOYSA-N 1 0 260.337 1.501 20 10 CDCDRO NC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001277192794 942156526 /nfs/dbraw/zinc/15/65/26/942156526.db2.gz TYPOYCGOSVRWSR-LBPRGKRZSA-N 1 0 276.336 1.185 20 10 CDCDRO O=C(NCC(F)F)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277441155 942576384 /nfs/dbraw/zinc/57/63/84/942576384.db2.gz ICIUWRFCICEOFV-LLVKDONJSA-N 1 0 296.317 1.595 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(N)=O)CC2)c1 ZINC001277463384 942675472 /nfs/dbraw/zinc/67/54/72/942675472.db2.gz KGRAXPQOFREXRE-ZDUSSCGKSA-N 1 0 290.363 1.488 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c1O ZINC001231591680 942939205 /nfs/dbraw/zinc/93/92/05/942939205.db2.gz ANPOPTASTQEJQT-ZIAGYGMSSA-N 1 0 274.364 1.896 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231635039 942950753 /nfs/dbraw/zinc/95/07/53/942950753.db2.gz UJFIQBODLACITK-SNVBAGLBSA-N 1 0 267.325 1.575 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(O)cc1O ZINC001231638071 942954358 /nfs/dbraw/zinc/95/43/58/942954358.db2.gz SHWUMYBIBHPWIT-ZYHUDNBSSA-N 1 0 291.347 1.907 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1Cl ZINC001232266363 943195227 /nfs/dbraw/zinc/19/52/27/943195227.db2.gz LYZZKLSKZAZRCU-UFBFGSQYSA-N 1 0 271.744 1.867 20 10 CDCDRO NC(=O)[C@H]1CCC[C@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001277657960 943249850 /nfs/dbraw/zinc/24/98/50/943249850.db2.gz VIFLKJTXTUFAPP-CZUORRHYSA-N 1 0 290.363 1.575 20 10 CDCDRO CN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001277660055 943254819 /nfs/dbraw/zinc/25/48/19/943254819.db2.gz OMOAHWDWRNCIAG-ABAIWWIYSA-N 1 0 276.336 1.150 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(N(C)C)cc1O ZINC001232834961 943413243 /nfs/dbraw/zinc/41/32/43/943413243.db2.gz SDTNIQDEWSUFKG-UHFFFAOYSA-N 1 0 282.384 1.553 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014036 943463624 /nfs/dbraw/zinc/46/36/24/943463624.db2.gz XDYWBPBIDWRXFL-LLVKDONJSA-N 1 0 266.341 1.329 20 10 CDCDRO COC(=O)[C@H]1CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233016391 943464470 /nfs/dbraw/zinc/46/44/70/943464470.db2.gz VNTBNKFSOXTWCA-NSHDSACASA-N 1 0 295.335 1.579 20 10 CDCDRO OC[C@]1(F)CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482873 943590421 /nfs/dbraw/zinc/59/04/21/943590421.db2.gz FSDNJRMFCNQKAN-AWEZNQCLSA-N 1 0 285.315 1.490 20 10 CDCDRO CN(CCC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233482274 943591026 /nfs/dbraw/zinc/59/10/26/943591026.db2.gz HQQQKOCYZVFBBY-UHFFFAOYSA-N 1 0 254.330 1.187 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485670 943593462 /nfs/dbraw/zinc/59/34/62/943593462.db2.gz GILPLIUVESHEOH-VIFPVBQESA-N 1 0 281.308 1.188 20 10 CDCDRO CC1(C)C[N@H+](Cc2cc(O)c(O)cc2O)CCCO1 ZINC001233485848 943593910 /nfs/dbraw/zinc/59/39/10/943593910.db2.gz NGGWJTDWJBNYNE-UHFFFAOYSA-N 1 0 267.325 1.804 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@H]12 ZINC001233487600 943596302 /nfs/dbraw/zinc/59/63/02/943596302.db2.gz KSATXVPJLUKQBF-KOLCDFICSA-N 1 0 277.320 1.604 20 10 CDCDRO C[N@@H+](Cc1cccc(-c2ccccc2)c1O)C[C@@H](O)CO ZINC001235003709 944005733 /nfs/dbraw/zinc/00/57/33/944005733.db2.gz XDTIWOAXZHEOFS-OAHLLOKOSA-N 1 0 287.359 1.844 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC001235449565 944159959 /nfs/dbraw/zinc/15/99/59/944159959.db2.gz BAHAFLZVHXLWFA-QWHCGFSZSA-N 1 0 277.412 1.943 20 10 CDCDRO Cc1c(O)ccc(CN(C)C[C@@H]2CCC[NH2+]2)c1O ZINC001236118764 944408110 /nfs/dbraw/zinc/40/81/10/944408110.db2.gz AHIPEVWDIZSQFV-LBPRGKRZSA-N 1 0 250.342 1.590 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001236281258 944442248 /nfs/dbraw/zinc/44/22/48/944442248.db2.gz AORVBPBRSIAKCD-HOCLYGCPSA-N 1 0 259.397 1.936 20 10 CDCDRO COc1cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc(O)c1O ZINC001236575641 944512210 /nfs/dbraw/zinc/51/22/10/944512210.db2.gz STHZWRFYONJLMP-AOOOYVTPSA-N 1 0 266.341 1.289 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)cc1OC ZINC001236751102 944558006 /nfs/dbraw/zinc/55/80/06/944558006.db2.gz CDOOXHLHYFPUFX-GFCCVEGCSA-N 1 0 278.352 1.299 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC3(C[C@H]3C(=O)N(C)C)C2)c1O ZINC001278357451 946996674 /nfs/dbraw/zinc/99/66/74/946996674.db2.gz JKPFYTJLZGXTGR-AWEZNQCLSA-N 1 0 288.391 1.919 20 10 CDCDRO O=C(C[NH2+][C@H]1CCCOC1)c1ccc(O)c(O)c1 ZINC001254365134 947387826 /nfs/dbraw/zinc/38/78/26/947387826.db2.gz AYRDGCUKERGHOF-JTQLQIEISA-N 1 0 251.282 1.049 20 10 CDCDRO O=C1C[C@@H]2CC([NH2+]CCc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001254930927 947659762 /nfs/dbraw/zinc/65/97/62/947659762.db2.gz LXCIFZBTKIKLFS-RYUDHWBXSA-N 1 0 275.348 1.988 20 10 CDCDRO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000723704105 947824291 /nfs/dbraw/zinc/82/42/91/947824291.db2.gz GLIKNNUHTXNVGJ-BETUJISGSA-N 1 0 262.353 1.679 20 10 CDCDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)CN1 ZINC001246172457 948008408 /nfs/dbraw/zinc/00/84/08/948008408.db2.gz RRZDMFNZVVPCSQ-KGLIPLIRSA-N 1 0 291.395 1.431 20 10 CDCDRO CCOC(=O)N1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001256038892 948175575 /nfs/dbraw/zinc/17/55/75/948175575.db2.gz XKZGUTUVBOEGMU-ZDUSSCGKSA-N 1 0 290.363 1.981 20 10 CDCDRO C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)c1ccccc1O ZINC001256324344 948271470 /nfs/dbraw/zinc/27/14/70/948271470.db2.gz RJFWAFYESHDONJ-STQMWFEESA-N 1 0 292.379 1.680 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCCSC2)cc1O ZINC001257655028 948617707 /nfs/dbraw/zinc/61/77/07/948617707.db2.gz LHGKNDWRPWLDOO-ZWNOBZJWSA-N 1 0 269.366 1.616 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCCCC[NH3+] ZINC001325668023 954017986 /nfs/dbraw/zinc/01/79/86/954017986.db2.gz TUQIGDLVAMQZBT-UHFFFAOYSA-N 1 0 278.400 1.599 20 10 CDCDRO OC[C@H](C[NH2+]Cc1ccccc1O)CC1CCOCC1 ZINC001326560099 954432816 /nfs/dbraw/zinc/43/28/16/954432816.db2.gz CKMGGVHTNYAFDS-AWEZNQCLSA-N 1 0 279.380 1.907 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1O ZINC001308770122 956577524 /nfs/dbraw/zinc/57/75/24/956577524.db2.gz NJVPNQKXIBJMQZ-QMMMGPOBSA-N 1 0 256.733 1.660 20 10 CDCDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001335338360 959725731 /nfs/dbraw/zinc/72/57/31/959725731.db2.gz PVAPBJALFKFTFR-ZDUSSCGKSA-N 1 0 290.411 1.942 20 10 CDCDRO C[C@H](CNC(=O)NCc1ccc(N)cc1)[N@H+](C)C1CC1 ZINC001335413548 959782785 /nfs/dbraw/zinc/78/27/85/959782785.db2.gz QIGCNKXGBFBFNS-LLVKDONJSA-N 1 0 276.384 1.551 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1OC ZINC001321868626 959994003 /nfs/dbraw/zinc/99/40/03/959994003.db2.gz SDUINWVGTLBBMX-PWSUYJOCSA-N 1 0 279.336 1.832 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC2([NH3+])CC2)c1 ZINC001336972694 960795369 /nfs/dbraw/zinc/79/53/69/960795369.db2.gz DMRPXKJFCKTROR-SECBINFHSA-N 1 0 279.340 1.252 20 10 CDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001351507534 966946716 /nfs/dbraw/zinc/94/67/16/966946716.db2.gz MILGLVHJHBOUBY-AYLIAGHASA-N 1 0 290.379 1.887 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H](CC[NH3+])C2)cc1 ZINC001356548957 969424076 /nfs/dbraw/zinc/42/40/76/969424076.db2.gz XADDXULJSPSDSV-AWEZNQCLSA-N 1 0 290.411 1.633 20 10 CDCDRO COC(=O)COc1ccc(N(C)CC[C@@H]2CC[NH2+]C2)cc1 ZINC001578813483 1172017905 /nfs/dbraw/zinc/01/79/05/1172017905.db2.gz PWOOPAHRNSHYSX-ZDUSSCGKSA-N 1 0 292.379 1.674 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000180066935 357240918 /nfs/dbraw/zinc/24/09/18/357240918.db2.gz UFQULLHDBWGEPJ-CYBMUJFWSA-N 1 0 288.351 1.829 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(C)c1O ZINC000180681360 357282703 /nfs/dbraw/zinc/28/27/03/357282703.db2.gz ZLLJCIQBMNUXRH-NSHDSACASA-N 1 0 250.342 1.515 20 10 CDCDRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000189933008 358046105 /nfs/dbraw/zinc/04/61/05/358046105.db2.gz BBTNVYOUJFVZQZ-JQWIXIFHSA-N 1 0 279.336 1.762 20 10 CDCDRO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294823776 199199785 /nfs/dbraw/zinc/19/97/85/199199785.db2.gz PDMSXMYKBUIBGH-VIFPVBQESA-N 1 0 257.717 1.239 20 10 CDCDRO CCN1CCC[C@@H]1C[NH2+]Cc1cc(OC)ccc1O ZINC000020092042 358324794 /nfs/dbraw/zinc/32/47/94/358324794.db2.gz SESPTDWOOCYTJT-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CN(C)c1ccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000092676420 358560189 /nfs/dbraw/zinc/56/01/89/358560189.db2.gz XPRLFLPZDABIMV-CVEARBPZSA-N 1 0 287.407 1.996 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297326851 200149334 /nfs/dbraw/zinc/14/93/34/200149334.db2.gz NRZKRUKGVYYTNV-LBPRGKRZSA-N 1 0 283.393 1.792 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+]C2(CO)CCOCC2)c1O ZINC000267432152 363820699 /nfs/dbraw/zinc/82/06/99/363820699.db2.gz DLSDCKOCZSXCRO-UHFFFAOYSA-N 1 0 297.326 1.365 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268875392 364106995 /nfs/dbraw/zinc/10/69/95/364106995.db2.gz ISQXFGSMGPHLMU-MLGOLLRUSA-N 1 0 288.395 1.870 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000271028736 364881294 /nfs/dbraw/zinc/88/12/94/364881294.db2.gz XKVPOOHLRWQKIU-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](O)C2)c(O)c1 ZINC000271093900 364917860 /nfs/dbraw/zinc/91/78/60/364917860.db2.gz LTNCFEKPDIGKJP-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000281201349 367603908 /nfs/dbraw/zinc/60/39/08/367603908.db2.gz SABPLGNYZOWUDR-NWDGAFQWSA-N 1 0 253.342 1.667 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000281125795 367593709 /nfs/dbraw/zinc/59/37/09/367593709.db2.gz OAIQSDKAUCKZPA-MRXNPFEDSA-N 1 0 275.396 1.711 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281145222 367595315 /nfs/dbraw/zinc/59/53/15/367595315.db2.gz FCTUKRPYRGEELX-NEPJUHHUSA-N 1 0 292.335 1.331 20 10 CDCDRO CCOC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000529664850 368086915 /nfs/dbraw/zinc/08/69/15/368086915.db2.gz FMMDIPSKNOGWGT-AWEZNQCLSA-N 1 0 265.353 1.938 20 10 CDCDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000291674818 370292195 /nfs/dbraw/zinc/29/21/95/370292195.db2.gz GYDRQXRMRLHCNP-JTQLQIEISA-N 1 0 267.329 1.588 20 10 CDCDRO Cc1cc(C[N@@H+]2CCOC[C@H](O)C2)ccc1N(C)C ZINC000295620654 378689116 /nfs/dbraw/zinc/68/91/16/378689116.db2.gz OJODHZTZZNLHIL-CQSZACIVSA-N 1 0 264.369 1.254 20 10 CDCDRO CCC[NH+]1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000131694075 390869036 /nfs/dbraw/zinc/86/90/36/390869036.db2.gz WPJXIMUTLXPLGA-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)CC(=O)N(C)C)cc1C ZINC000120413282 390870199 /nfs/dbraw/zinc/87/01/99/390870199.db2.gz QSIZTYBLTZCMHU-UHFFFAOYSA-N 1 0 250.342 1.529 20 10 CDCDRO O=C1CC[N@H+](Cc2c(O)cccc2Cl)CCN1 ZINC000119222760 390844103 /nfs/dbraw/zinc/84/41/03/390844103.db2.gz NIRQOUCYNBVGFI-UHFFFAOYSA-N 1 0 254.717 1.368 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)NC)C2)c1 ZINC000093361212 390901990 /nfs/dbraw/zinc/90/19/90/390901990.db2.gz ZPPHFHBNWVJDQR-LBPRGKRZSA-N 1 0 292.379 1.749 20 10 CDCDRO CN(C)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000097928235 391237791 /nfs/dbraw/zinc/23/77/91/391237791.db2.gz OUHLAVZSEBGPOV-UHFFFAOYSA-N 1 0 278.352 1.695 20 10 CDCDRO CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183701955 391269047 /nfs/dbraw/zinc/26/90/47/391269047.db2.gz WQRMNQMLKYCSCR-UHFFFAOYSA-N 1 0 280.368 1.854 20 10 CDCDRO CC[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272510505 391314341 /nfs/dbraw/zinc/31/43/41/391314341.db2.gz UPJMRKGNTUSJEL-GQCTYLIASA-N 1 0 290.363 1.712 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000227439270 392017833 /nfs/dbraw/zinc/01/78/33/392017833.db2.gz MVRDRYKPCGMCTC-SECBINFHSA-N 1 0 265.231 1.414 20 10 CDCDRO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[NH2+]CC1 ZINC000418093389 228029777 /nfs/dbraw/zinc/02/97/77/228029777.db2.gz BRFZLMRLXAKCHP-UHFFFAOYSA-N 1 0 286.379 1.602 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036933061 260052211 /nfs/dbraw/zinc/05/22/11/260052211.db2.gz PBIGFZKVTDMASS-STQMWFEESA-N 1 0 294.395 1.772 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000155030105 261097296 /nfs/dbraw/zinc/09/72/96/261097296.db2.gz PORJMKGNSKHKNS-CYBMUJFWSA-N 1 0 292.379 1.878 20 10 CDCDRO CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1ccccc1O ZINC000186290436 262087939 /nfs/dbraw/zinc/08/79/39/262087939.db2.gz IGCPNXXGIGZERP-LBPRGKRZSA-N 1 0 264.325 1.884 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185467238 262304994 /nfs/dbraw/zinc/30/49/94/262304994.db2.gz KUIUMFHEWBPUMN-IAQYHMDHSA-N 1 0 283.368 1.839 20 10 CDCDRO CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297704451 277101758 /nfs/dbraw/zinc/10/17/58/277101758.db2.gz MNNHOLIODUWJDY-UONOGXRCSA-N 1 0 275.396 1.215 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250235836 333303634 /nfs/dbraw/zinc/30/36/34/333303634.db2.gz DLJWJQRWSLNBRF-GJZGRUSLSA-N 1 0 273.380 1.554 20 10 CDCDRO CC[C@@](C)(CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134472361 334091414 /nfs/dbraw/zinc/09/14/14/334091414.db2.gz VGHUHYWRBIYFRF-AWEZNQCLSA-N 1 0 267.325 1.762 20 10 CDCDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)NC(C)(C)C ZINC000134493388 334092134 /nfs/dbraw/zinc/09/21/34/334092134.db2.gz NROSYMYITLSBJJ-VIFPVBQESA-N 1 0 294.351 1.514 20 10 CDCDRO C[C@H]([NH2+]CCO)c1ccc(Br)cc1O ZINC000134910950 334108151 /nfs/dbraw/zinc/10/81/51/334108151.db2.gz QMEGJGITQCHGOC-ZETCQYMHSA-N 1 0 260.131 1.798 20 10 CDCDRO CCc1cccc(C[N@H+](C)CCC(=O)NC)c1O ZINC000821984124 1161925793 /nfs/dbraw/zinc/92/57/93/1161925793.db2.gz UEDGARRGKCWWKS-UHFFFAOYSA-N 1 0 250.342 1.523 20 10 CDCDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1O ZINC000289602206 519828301 /nfs/dbraw/zinc/82/83/01/519828301.db2.gz BRUSJJIBZSMQEP-GXTWGEPZSA-N 1 0 262.353 1.643 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c(O)c1 ZINC000278575965 520365395 /nfs/dbraw/zinc/36/53/95/520365395.db2.gz FEAJQRIOXLPWMG-LRDDRELGSA-N 1 0 295.379 1.811 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000280370600 521146642 /nfs/dbraw/zinc/14/66/42/521146642.db2.gz VEZYMZMYGVTRNV-OAHLLOKOSA-N 1 0 278.352 1.488 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280560607 521873832 /nfs/dbraw/zinc/87/38/32/521873832.db2.gz UXXWICAPJDXQAT-NSHDSACASA-N 1 0 296.323 1.512 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000281003988 522306138 /nfs/dbraw/zinc/30/61/38/522306138.db2.gz NTPMXMZAVHRNPH-BXUZGUMPSA-N 1 0 279.380 1.929 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279763796 523382262 /nfs/dbraw/zinc/38/22/62/523382262.db2.gz FDOCIMSZDARCRL-AWEZNQCLSA-N 1 0 274.364 1.977 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1ccc(N(C)C)cc1 ZINC000289543840 523697341 /nfs/dbraw/zinc/69/73/41/523697341.db2.gz XAJITYNRMVDPQZ-UHFFFAOYSA-N 1 0 279.428 1.763 20 10 CDCDRO COCC[N@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000130887777 523705231 /nfs/dbraw/zinc/70/52/31/523705231.db2.gz FPLOMWRGFGIOGT-UHFFFAOYSA-N 1 0 270.348 1.332 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000131189443 524379896 /nfs/dbraw/zinc/37/98/96/524379896.db2.gz USEVQYNFGDPVQX-APPDUMDISA-N 1 0 255.383 1.899 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC(C)C)c1 ZINC000036781581 524760157 /nfs/dbraw/zinc/76/01/57/524760157.db2.gz NNXBPWGCPMKSMS-SNVBAGLBSA-N 1 0 266.341 1.576 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCCc2cnn(C)n2)cc1C ZINC000292910659 525322598 /nfs/dbraw/zinc/32/25/98/525322598.db2.gz HHEGZBGMVFWTAP-UHFFFAOYSA-N 1 0 274.368 1.860 20 10 CDCDRO C[S@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000282279910 525381063 /nfs/dbraw/zinc/38/10/63/525381063.db2.gz IBVHNQRNXCEXQY-SFHVURJKSA-N 1 0 265.378 1.622 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(N(C)C)cc1 ZINC000038083401 525503671 /nfs/dbraw/zinc/50/36/71/525503671.db2.gz ILYMOGJWYUVPTK-CHWSQXEVSA-N 1 0 296.436 1.838 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(F)ccc1O ZINC000094617175 525600235 /nfs/dbraw/zinc/60/02/35/525600235.db2.gz WNLOJQUVGCCFKQ-NWDGAFQWSA-N 1 0 282.359 1.903 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCOC1 ZINC000280216203 527579496 /nfs/dbraw/zinc/57/94/96/527579496.db2.gz GAWWQDKCPOSIQQ-LSDHHAIUSA-N 1 0 277.364 1.356 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000732284125 575086765 /nfs/dbraw/zinc/08/67/65/575086765.db2.gz JHSRMFHQHJBQBS-SECBINFHSA-N 1 0 254.355 1.620 20 10 CDCDRO O=CN1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000774162628 575185902 /nfs/dbraw/zinc/18/59/02/575185902.db2.gz QUOSDJJFLGJYDI-UHFFFAOYSA-N 1 0 260.337 1.332 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)Cc2cnn(C)c2)c1 ZINC000772982338 575772050 /nfs/dbraw/zinc/77/20/50/575772050.db2.gz CYUXNXVPFQOIJV-LLVKDONJSA-N 1 0 275.352 1.855 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000765799989 576057313 /nfs/dbraw/zinc/05/73/13/576057313.db2.gz ZYPKEWBHKGPNFV-HUUCEWRRSA-N 1 0 275.396 1.757 20 10 CDCDRO C[C@@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444696 576283641 /nfs/dbraw/zinc/28/36/41/576283641.db2.gz BHJZTESRXPMGTH-NOZJJQNGSA-N 1 0 281.377 1.755 20 10 CDCDRO COc1cc(C[N@H+](C)CC(=O)N2CCCC2)c(O)cc1C ZINC000768442380 576283669 /nfs/dbraw/zinc/28/36/69/576283669.db2.gz UCEBKVAPMYSOIZ-UHFFFAOYSA-N 1 0 292.379 1.763 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769484845 576358476 /nfs/dbraw/zinc/35/84/76/576358476.db2.gz VPDCBZZCLNTKMI-NSHDSACASA-N 1 0 279.336 1.928 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000742368177 576598164 /nfs/dbraw/zinc/59/81/64/576598164.db2.gz XRJOGANAQYLCDW-UHFFFAOYSA-N 1 0 264.369 1.967 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000742376670 576598992 /nfs/dbraw/zinc/59/89/92/576598992.db2.gz BFHCDVWDWWHAFN-CYBMUJFWSA-N 1 0 266.385 1.894 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000762269169 576636126 /nfs/dbraw/zinc/63/61/26/576636126.db2.gz ZYWKBYFRRKNRHO-UHFFFAOYSA-N 1 0 266.341 1.098 20 10 CDCDRO COc1cc(C)cc(C[N@H+]2CC[C@@H](OC)C2)c1O ZINC000754738327 576913192 /nfs/dbraw/zinc/91/31/92/576913192.db2.gz XXGXSTUDIBVSDQ-GFCCVEGCSA-N 1 0 251.326 1.930 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1O ZINC000892076689 617464839 /nfs/dbraw/zinc/46/48/39/617464839.db2.gz CKRLPSBNGQPUHL-GMXVVIOVSA-N 1 0 277.368 1.750 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1O ZINC000892081808 617468771 /nfs/dbraw/zinc/46/87/71/617468771.db2.gz FBEQGNQJWNNBGL-NWDGAFQWSA-N 1 0 277.368 1.895 20 10 CDCDRO CC1(C)CC[N@H+](CCNC(=O)NCc2ccccc2O)C1 ZINC000892527191 617478128 /nfs/dbraw/zinc/47/81/28/617478128.db2.gz LXQCUZYKCJEQGM-UHFFFAOYSA-N 1 0 291.395 1.923 20 10 CDCDRO CC[NH+]1CCC(CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000044515086 617582093 /nfs/dbraw/zinc/58/20/93/617582093.db2.gz NDFWYTFIKRDGJP-UHFFFAOYSA-N 1 0 275.396 1.659 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cccc(OCC)c1O ZINC000045072017 617589010 /nfs/dbraw/zinc/58/90/10/617589010.db2.gz NVTXAHWWQRSCEU-UHFFFAOYSA-N 1 0 280.368 1.797 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1F ZINC000783735991 617611040 /nfs/dbraw/zinc/61/10/40/617611040.db2.gz UWLHGVOXTSRIAR-DOMZBBRYSA-N 1 0 264.344 1.706 20 10 CDCDRO COCCNC(=[NH2+])NCc1ccc(N(C)C)cc1C ZINC000849009314 617635181 /nfs/dbraw/zinc/63/51/81/617635181.db2.gz ULXUYYHVGFZOEQ-UHFFFAOYSA-N 1 0 264.373 1.321 20 10 CDCDRO COc1ccc(C[NH2+][C@](C)(CO)C2CC2)c(O)c1OC ZINC000893368791 617713489 /nfs/dbraw/zinc/71/34/89/617713489.db2.gz ZWGOGWFXXIUBHP-OAHLLOKOSA-N 1 0 281.352 1.660 20 10 CDCDRO C[C@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H]1CCC[NH2+]C1 ZINC000891980556 617931038 /nfs/dbraw/zinc/93/10/38/617931038.db2.gz FTQGLLXYUQZBIH-RYUDHWBXSA-N 1 0 289.379 1.806 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)C(=O)NC(C)C)cc1OC ZINC000840975458 617963856 /nfs/dbraw/zinc/96/38/56/617963856.db2.gz YLAVQDPOLFXONL-SNVBAGLBSA-N 1 0 296.367 1.412 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c(O)c1OC ZINC000893719271 617971923 /nfs/dbraw/zinc/97/19/23/617971923.db2.gz KAZQEMACAUJLNR-RYUDHWBXSA-N 1 0 281.352 1.803 20 10 CDCDRO COC[C@](C)(CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893102068 618171125 /nfs/dbraw/zinc/17/11/25/618171125.db2.gz JRPXAXGNPKSTLB-HNNXBMFYSA-N 1 0 299.367 1.287 20 10 CDCDRO COCC[N@H+](CCO)Cc1cc(C)cc(OC)c1O ZINC000893996215 618236626 /nfs/dbraw/zinc/23/66/26/618236626.db2.gz VUZWNJIGCUIERR-UHFFFAOYSA-N 1 0 269.341 1.150 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@@H]1O ZINC000894094707 618383744 /nfs/dbraw/zinc/38/37/44/618383744.db2.gz LTXMJYVAZAOOJZ-YPMHNXCESA-N 1 0 265.353 1.912 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)CC[NH3+] ZINC000841825575 618474958 /nfs/dbraw/zinc/47/49/58/618474958.db2.gz AENVSSLHJXWHKO-LBPRGKRZSA-N 1 0 278.400 1.598 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000894184543 618671121 /nfs/dbraw/zinc/67/11/21/618671121.db2.gz BBPBOWNJYKVZTP-JQWIXIFHSA-N 1 0 299.392 1.314 20 10 CDCDRO CCOc1ccc(CNC[C@]2(COC)CCC[NH2+]2)c(O)c1 ZINC000841067222 618679942 /nfs/dbraw/zinc/67/99/42/618679942.db2.gz LHKKLPVKCOSEJR-INIZCTEOSA-N 1 0 294.395 1.649 20 10 CDCDRO CN(CC[NH3+])Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841100003 618682302 /nfs/dbraw/zinc/68/23/02/618682302.db2.gz RMKSGWYCOKGHQX-UHFFFAOYSA-N 1 0 267.348 1.053 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH2+][C@H](C)[C@@H]2C)c1 ZINC000843057841 618691952 /nfs/dbraw/zinc/69/19/52/618691952.db2.gz MMBNDQHHTLOTTE-NEPJUHHUSA-N 1 0 264.369 1.973 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+][C@@H](C)[C@@H]2C)cc1OC ZINC000843057819 618691980 /nfs/dbraw/zinc/69/19/80/618691980.db2.gz LVOCMMDCIYRZKL-QWRGUYRKSA-N 1 0 280.368 1.592 20 10 CDCDRO Cc1[nH]ccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843298381 618701814 /nfs/dbraw/zinc/70/18/14/618701814.db2.gz NVZYFUPIPZYWOG-OAHLLOKOSA-N 1 0 286.379 1.819 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000894538345 618948819 /nfs/dbraw/zinc/94/88/19/618948819.db2.gz JUJABSXTXCVHCO-JQWIXIFHSA-N 1 0 251.326 1.664 20 10 CDCDRO COCC1C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000895969646 619927836 /nfs/dbraw/zinc/92/78/36/619927836.db2.gz HYUUNTGEJGHXNF-UHFFFAOYSA-N 1 0 282.296 1.387 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1ccc(OC)c(OC)c1O ZINC000897710045 621082777 /nfs/dbraw/zinc/08/27/77/621082777.db2.gz WOSJXCWAKYELSN-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CN)CC(C)C)c1O ZINC000841038891 621532257 /nfs/dbraw/zinc/53/22/57/621532257.db2.gz TXKDHTMSIWHHRE-GFCCVEGCSA-N 1 0 252.358 1.864 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccn(C)n2)cc1 ZINC000841042851 621565849 /nfs/dbraw/zinc/56/58/49/621565849.db2.gz LYEZIDCQDGTYMD-HNNXBMFYSA-N 1 0 273.384 1.276 20 10 CDCDRO C[C@H](CC[NH3+])[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841052482 621599071 /nfs/dbraw/zinc/59/90/71/621599071.db2.gz YUHHHAJLZBVXKZ-SSDOTTSWSA-N 1 0 273.720 1.781 20 10 CDCDRO CC[C@@H](O)C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905706314 626933399 /nfs/dbraw/zinc/93/33/99/626933399.db2.gz SXJSPVDXHRHXAR-CVEARBPZSA-N 1 0 279.428 1.716 20 10 CDCDRO C[C@H]([NH2+]CCCS(N)(=O)=O)c1ccc(N(C)C)cc1 ZINC000045069396 630571232 /nfs/dbraw/zinc/57/12/32/630571232.db2.gz OPTJHESBDDMPDI-NSHDSACASA-N 1 0 285.413 1.082 20 10 CDCDRO O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCSC1 ZINC000921809513 633314366 /nfs/dbraw/zinc/31/43/66/633314366.db2.gz HMAXTVREGRMKAE-OAHLLOKOSA-N 1 0 279.405 1.969 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cccc(CC)c1O ZINC000691437693 1162022985 /nfs/dbraw/zinc/02/29/85/1162022985.db2.gz MDOVZZIFTMPXEJ-UHFFFAOYSA-N 1 0 264.369 1.961 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[NH2+]C[C@H]2C(=O)[O-])cc1 ZINC001606054299 1163756838 /nfs/dbraw/zinc/75/68/38/1163756838.db2.gz RNTMANHSUGMNMS-AWEZNQCLSA-N 1 0 277.368 1.001 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000846166669 728766497 /nfs/dbraw/zinc/76/64/97/728766497.db2.gz ZLBIPFJYUNHNGO-NHYWBVRUSA-N 1 0 280.368 1.118 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000841937210 728808372 /nfs/dbraw/zinc/80/83/72/728808372.db2.gz PEBJAOKZHQMCDW-QWRGUYRKSA-N 1 0 293.367 1.513 20 10 CDCDRO O=C1NCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921525043 728844625 /nfs/dbraw/zinc/84/46/25/728844625.db2.gz JXEICSAWEIMPJJ-CQSZACIVSA-N 1 0 274.364 1.770 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(Cl)cc1O ZINC000841752588 728961807 /nfs/dbraw/zinc/96/18/07/728961807.db2.gz BPPIUAXASONCCS-ONGXEEELSA-N 1 0 296.758 1.349 20 10 CDCDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000842226940 728867962 /nfs/dbraw/zinc/86/79/62/728867962.db2.gz QTEBDWVJZMMORQ-UONOGXRCSA-N 1 0 265.353 1.233 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000877031755 729395117 /nfs/dbraw/zinc/39/51/17/729395117.db2.gz UXSAGRJPCHREEM-CYBMUJFWSA-N 1 0 263.385 1.036 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)C(C)(C)O)cc1OC ZINC000776151864 728399911 /nfs/dbraw/zinc/39/99/11/728399911.db2.gz WXSLUEFAEXWHHI-VIFPVBQESA-N 1 0 269.341 1.658 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH3+])C2)c1O ZINC000050149745 728415687 /nfs/dbraw/zinc/41/56/87/728415687.db2.gz DUMVRHNSFGGSSU-LBPRGKRZSA-N 1 0 266.316 1.657 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000827119810 728433113 /nfs/dbraw/zinc/43/31/13/728433113.db2.gz NZNOKFXSNUMNPD-CQSZACIVSA-N 1 0 292.379 1.307 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000841077509 728455985 /nfs/dbraw/zinc/45/59/85/728455985.db2.gz AZDXKIWHFQIZBT-RYUDHWBXSA-N 1 0 268.332 1.581 20 10 CDCDRO COc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1O ZINC000934940142 728470548 /nfs/dbraw/zinc/47/05/48/728470548.db2.gz IZVCCYZUQJLTIK-CYBMUJFWSA-N 1 0 292.379 1.890 20 10 CDCDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000237698080 728471824 /nfs/dbraw/zinc/47/18/24/728471824.db2.gz QEVBMXDKGQYRRJ-UHFFFAOYSA-N 1 0 284.363 1.535 20 10 CDCDRO COCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274524 728473331 /nfs/dbraw/zinc/47/33/31/728473331.db2.gz UUKBGMKHFNDXNY-AWEZNQCLSA-N 1 0 279.384 1.295 20 10 CDCDRO COc1cc(C[NH+]2CCC(C(N)=O)CC2)c(O)cc1C ZINC000159469880 728473748 /nfs/dbraw/zinc/47/37/48/728473748.db2.gz FQVDUPCAKVVKHA-UHFFFAOYSA-N 1 0 278.352 1.407 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000852885121 728532025 /nfs/dbraw/zinc/53/20/25/728532025.db2.gz NFWKYTCSNIMRHS-QMTHXVAHSA-N 1 0 292.379 1.966 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1 ZINC000824708990 728542767 /nfs/dbraw/zinc/54/27/67/728542767.db2.gz LQHGQQTZDPVIKQ-WBMJQRKESA-N 1 0 295.379 1.932 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(C)cc1O ZINC000876741257 728543577 /nfs/dbraw/zinc/54/35/77/728543577.db2.gz XBOPZLZJGPCHCH-LBPRGKRZSA-N 1 0 285.409 1.956 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2COCCO2)c1O ZINC000846142602 728553790 /nfs/dbraw/zinc/55/37/90/728553790.db2.gz FQOJRFJEEQGNQW-QWRGUYRKSA-N 1 0 267.325 1.467 20 10 CDCDRO Cc1cc(C(=O)NC[C@H](C)C[NH3+])c(C)n1-c1ccccn1 ZINC000237573932 728565803 /nfs/dbraw/zinc/56/58/03/728565803.db2.gz ZIGPNVVBSXTINF-LLVKDONJSA-N 1 0 286.379 1.814 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2c(O)cccc2OC)CC1 ZINC000777219245 728570374 /nfs/dbraw/zinc/57/03/74/728570374.db2.gz FAEDKYSCFYCLQP-UHFFFAOYSA-N 1 0 265.309 1.444 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCF)cc1 ZINC000852792657 728588044 /nfs/dbraw/zinc/58/80/44/728588044.db2.gz ZCPMJCYGLHHUNR-CYBMUJFWSA-N 1 0 267.348 1.618 20 10 CDCDRO CN(C)c1ccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000881272082 728985678 /nfs/dbraw/zinc/98/56/78/728985678.db2.gz LWEBHBRDPRYCLS-AWEZNQCLSA-N 1 0 285.395 1.859 20 10 CDCDRO 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264.369 1.975 20 10 CDCDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922180588 730362410 /nfs/dbraw/zinc/36/24/10/730362410.db2.gz JDYQSIQUYOKAKO-CQSZACIVSA-N 1 0 274.364 1.627 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841825196 730388932 /nfs/dbraw/zinc/38/89/32/730388932.db2.gz YSNTVWCQMKSMLJ-CYBMUJFWSA-N 1 0 292.427 1.858 20 10 CDCDRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccccc1O ZINC000877255976 730401334 /nfs/dbraw/zinc/40/13/34/730401334.db2.gz LJFHYFJHXBXJMX-IAQYHMDHSA-N 1 0 262.353 1.959 20 10 CDCDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941226 730417598 /nfs/dbraw/zinc/41/75/98/730417598.db2.gz GKXGBPYHTUCDQP-HNNXBMFYSA-N 1 0 266.385 1.628 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@]2(CCO)CCOC2)cc1Cl ZINC000825716740 1165613822 /nfs/dbraw/zinc/61/38/22/1165613822.db2.gz XUBCHLFVKQJRKD-CQSZACIVSA-N 1 0 285.771 1.985 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876750729 1165909314 /nfs/dbraw/zinc/90/93/14/1165909314.db2.gz RWKGITBKVBUVLN-QGZVFWFLSA-N 1 0 290.407 1.868 20 10 CDCDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000077111460 895526409 /nfs/dbraw/zinc/52/64/09/895526409.db2.gz HEALFVJXLYAHHC-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c1O ZINC001140741794 898158056 /nfs/dbraw/zinc/15/80/56/898158056.db2.gz CEIOSEURBYJPIF-GXFFZTMASA-N 1 0 265.353 1.999 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC001140921259 898875361 /nfs/dbraw/zinc/87/53/61/898875361.db2.gz AADUJKMPKQWOAW-GFCCVEGCSA-N 1 0 254.761 1.973 20 10 CDCDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000180870007 899523883 /nfs/dbraw/zinc/52/38/83/899523883.db2.gz TWSIMHDGCLABGH-NXEZZACHSA-N 1 0 265.309 1.324 20 10 CDCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922101065 921272568 /nfs/dbraw/zinc/27/25/68/921272568.db2.gz STTAQZNFPQZCFN-NHYWBVRUSA-N 1 0 274.364 1.626 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001271834384 906876061 /nfs/dbraw/zinc/87/60/61/906876061.db2.gz NPNYREGFCCMYJV-QWHCGFSZSA-N 1 0 290.363 1.193 20 10 CDCDRO O=C1CC[C@H]2C[C@@H]([NH2+]Cc3ccccc3O)CCN12 ZINC001172146665 911355531 /nfs/dbraw/zinc/35/55/31/911355531.db2.gz MNUAXMICKGGYTQ-STQMWFEESA-N 1 0 260.337 1.635 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1=O ZINC000922639132 921718301 /nfs/dbraw/zinc/71/83/01/921718301.db2.gz IJHUDIJTHTXAAQ-AWEZNQCLSA-N 1 0 293.386 1.992 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001236905100 917075861 /nfs/dbraw/zinc/07/58/61/917075861.db2.gz XZZYUXBQGMRPCD-LBPRGKRZSA-N 1 0 297.830 1.956 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](CO)C2)c(O)c(OC)c1 ZINC001237677292 917542463 /nfs/dbraw/zinc/54/24/63/917542463.db2.gz ZHLXBWNAGSQWKE-JTQLQIEISA-N 1 0 267.325 1.224 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CC(C(=O)N(C)C)C2)c1O ZINC001238060552 917782648 /nfs/dbraw/zinc/78/26/48/917782648.db2.gz BZJHRBFKKATRLJ-UHFFFAOYSA-N 1 0 266.316 1.360 20 10 CDCDRO CC[NH+]1C[C@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC001138131438 936476837 /nfs/dbraw/zinc/47/68/37/936476837.db2.gz ZRNKNOPXJDHNAT-STQMWFEESA-N 1 0 264.344 1.915 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1 ZINC001203628501 919787824 /nfs/dbraw/zinc/78/78/24/919787824.db2.gz BMQMZSAGXHVQDX-OAHLLOKOSA-N 1 0 292.335 1.475 20 10 CDCDRO Nc1ncc(C[N@@H+]2CCc3cccc(O)c3C2)s1 ZINC001139231091 936609869 /nfs/dbraw/zinc/60/98/69/936609869.db2.gz NYUDHRMRHUZOGL-UHFFFAOYSA-N 1 0 261.350 1.989 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000389185845 936645821 /nfs/dbraw/zinc/64/58/21/936645821.db2.gz RYERLLFAMDLVOL-AWEZNQCLSA-N 1 0 261.369 1.412 20 10 CDCDRO CC(C)(O)CC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140060018 936675775 /nfs/dbraw/zinc/67/57/75/936675775.db2.gz GTTNAXDQOQEONS-UHFFFAOYSA-N 1 0 296.386 1.810 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CCO1 ZINC001140183699 936685035 /nfs/dbraw/zinc/68/50/35/936685035.db2.gz HHCPGJCEPJAQQH-ZDUSSCGKSA-N 1 0 265.353 1.856 20 10 CDCDRO Oc1cccc(Cl)c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140342747 936703831 /nfs/dbraw/zinc/70/38/31/936703831.db2.gz WXDRLPFJQWGECG-JTQLQIEISA-N 1 0 252.745 1.936 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000834861838 936709473 /nfs/dbraw/zinc/70/94/73/936709473.db2.gz NOAHCKQGVOGMKA-JTQLQIEISA-N 1 0 275.274 1.207 20 10 CDCDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140468345 936713151 /nfs/dbraw/zinc/71/31/51/936713151.db2.gz HAOCWZYTWGNHDC-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835075130 936717324 /nfs/dbraw/zinc/71/73/24/936717324.db2.gz VTSQJZXWEINURO-STQMWFEESA-N 1 0 290.363 1.644 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(O)c(C)c1O ZINC001140741727 936748305 /nfs/dbraw/zinc/74/83/05/936748305.db2.gz BDGNNQVDXAMUOD-UHFFFAOYSA-N 1 0 269.341 1.501 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c1O ZINC001140743867 936748517 /nfs/dbraw/zinc/74/85/17/936748517.db2.gz BYZLUKUJNXVNJO-UHFFFAOYSA-N 1 0 291.347 1.730 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1O ZINC001140744395 936749075 /nfs/dbraw/zinc/74/90/75/936749075.db2.gz WFJJGBKRTDTSMX-NJZAAPMLSA-N 1 0 293.363 1.378 20 10 CDCDRO CC(=O)N1CCC([N@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140749406 936749632 /nfs/dbraw/zinc/74/96/32/936749632.db2.gz YJEGMXFPCUKEHC-UHFFFAOYSA-N 1 0 292.379 1.849 20 10 CDCDRO COc1cc(O)c(C[NH+]2CC3(CSC3)C2)c(OC)c1 ZINC001141030818 936794846 /nfs/dbraw/zinc/79/48/46/936794846.db2.gz MHJMRJNOIHFHAG-UHFFFAOYSA-N 1 0 281.377 1.958 20 10 CDCDRO CN1CCOc2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc21 ZINC001141144727 936819617 /nfs/dbraw/zinc/81/96/17/936819617.db2.gz JJIONJKALUOBMB-GASCZTMLSA-N 1 0 287.407 1.794 20 10 CDCDRO Oc1ccc(O)c(CN2CCN([C@H]3CCOC3)CC2)c1 ZINC001141156015 936821529 /nfs/dbraw/zinc/82/15/29/936821529.db2.gz OJMOIVCMKPCSTH-ZDUSSCGKSA-N 1 0 278.352 1.004 20 10 CDCDRO Oc1ccc(O)c(CN2CCN(c3ncccn3)CC2)c1 ZINC001141155637 936821554 /nfs/dbraw/zinc/82/15/54/936821554.db2.gz CFMAYUDYGHAPGD-UHFFFAOYSA-N 1 0 286.335 1.210 20 10 CDCDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(O)ccc1O ZINC001141160006 936822073 /nfs/dbraw/zinc/82/20/73/936822073.db2.gz OYGQJENBXVWNKI-FZMZJTMJSA-N 1 0 262.353 1.624 20 10 CDCDRO CN1CC[N@H+](Cc2cc(O)ccc2O)Cc2cccnc21 ZINC001141158861 936822158 /nfs/dbraw/zinc/82/21/58/936822158.db2.gz PJKZUWCOXAERAZ-UHFFFAOYSA-N 1 0 285.347 1.945 20 10 CDCDRO O=C1NC[C@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)O1 ZINC001141161824 936822928 /nfs/dbraw/zinc/82/29/28/936822928.db2.gz ZHIRVQANGVTLPD-AWEZNQCLSA-N 1 0 278.308 1.172 20 10 CDCDRO Oc1ccc(O)c(CN2CC([NH+]3CCCCC3)C2)c1 ZINC001141161213 936823057 /nfs/dbraw/zinc/82/30/57/936823057.db2.gz PBLHSMDYPYZCPM-UHFFFAOYSA-N 1 0 262.353 1.768 20 10 CDCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(O)ccc1O)C2 ZINC001141161950 936823248 /nfs/dbraw/zinc/82/32/48/936823248.db2.gz HVNNNCKMQGDFDK-IUODEOHRSA-N 1 0 262.353 1.481 20 10 CDCDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1)C1CC1 ZINC001141162465 936823312 /nfs/dbraw/zinc/82/33/12/936823312.db2.gz SPTUHGLDYIEJIP-CYBMUJFWSA-N 1 0 290.363 1.588 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(O)c2O)C1 ZINC000837187790 936832456 /nfs/dbraw/zinc/83/24/56/936832456.db2.gz BJRSYVGNQMABAJ-LLVKDONJSA-N 1 0 278.352 1.653 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203876010 925117926 /nfs/dbraw/zinc/11/79/26/925117926.db2.gz ZSJRNRQCACDBLW-JQWIXIFHSA-N 1 0 251.326 1.691 20 10 CDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654052 937010539 /nfs/dbraw/zinc/01/05/39/937010539.db2.gz MKUCFOREZAYESL-HNNXBMFYSA-N 1 0 290.411 1.646 20 10 CDCDRO C[NH2+][C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843045557 937106249 /nfs/dbraw/zinc/10/62/49/937106249.db2.gz VCJQVAONYPEREB-JTQLQIEISA-N 1 0 281.312 1.103 20 10 CDCDRO C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)[C@H]1C[NH3+] ZINC000843052199 937107812 /nfs/dbraw/zinc/10/78/12/937107812.db2.gz PCFGBJYNQUGFJY-PWSUYJOCSA-N 1 0 278.352 1.680 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000843126588 937115777 /nfs/dbraw/zinc/11/57/77/937115777.db2.gz KYOKGEFZRDFVRA-DGCLKSJQSA-N 1 0 292.379 1.593 20 10 CDCDRO [NH3+]CCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868264 927901428 /nfs/dbraw/zinc/90/14/28/927901428.db2.gz BPTKKVGJTWCJNS-UHFFFAOYSA-N 1 0 291.395 1.003 20 10 CDCDRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001169580829 928230236 /nfs/dbraw/zinc/23/02/36/928230236.db2.gz YSRGJSPUTYNUBA-LBPRGKRZSA-N 1 0 264.325 1.198 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000691501040 929063748 /nfs/dbraw/zinc/06/37/48/929063748.db2.gz SUPXWCJIOPOMDT-SNVBAGLBSA-N 1 0 263.259 1.967 20 10 CDCDRO Oc1ccc([C@H](O)C[NH2+][C@@H]2CCCOCC2)cc1O ZINC001170766896 929853732 /nfs/dbraw/zinc/85/37/32/929853732.db2.gz QDPDGSZERIZJGS-BXUZGUMPSA-N 1 0 267.325 1.290 20 10 CDCDRO C/C=C\C[C@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883090041 930140332 /nfs/dbraw/zinc/14/03/32/930140332.db2.gz AUQFGMRGEUIQMN-DLRQAJBASA-N 1 0 251.326 1.818 20 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253.298 1.272 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCc3ncsc3C2)c(O)c1 ZINC001144514886 931879554 /nfs/dbraw/zinc/87/95/54/931879554.db2.gz WJFAXZKFLWPGRG-UHFFFAOYSA-N 1 0 278.333 1.818 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C)c(O)c1 ZINC001275584664 931896195 /nfs/dbraw/zinc/89/61/95/931896195.db2.gz FOCXWJJVWUTDNW-GJZGRUSLSA-N 1 0 275.396 1.737 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168339 931983938 /nfs/dbraw/zinc/98/39/38/931983938.db2.gz SOPKSBXHNJZQML-VHSXEESVSA-N 1 0 255.314 1.059 20 10 CDCDRO COc1cccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)c1O ZINC000846147056 931987114 /nfs/dbraw/zinc/98/71/14/931987114.db2.gz VFUMGHUEJAHAGE-CHWSQXEVSA-N 1 0 294.395 1.508 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118179123 937599209 /nfs/dbraw/zinc/59/92/09/937599209.db2.gz LGOLNLZORSJZKG-PBHICJAKSA-N 1 0 289.423 1.835 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@@H]21 ZINC001148218824 932670758 /nfs/dbraw/zinc/67/07/58/932670758.db2.gz MNRKJHVMDWEQOT-PWSUYJOCSA-N 1 0 276.336 1.264 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2([S@](C)=O)CC2)cc1 ZINC000380263201 935182597 /nfs/dbraw/zinc/18/25/97/935182597.db2.gz YCUYGAFIBLGARX-SFHVURJKSA-N 1 0 266.410 1.753 20 10 CDCDRO Cc1cccc(CNc2ncnc3c2CC[NH2+]CC3)c1O ZINC001160764691 938825465 /nfs/dbraw/zinc/82/54/65/938825465.db2.gz LCJBPLAUENBDGR-UHFFFAOYSA-N 1 0 284.363 1.791 20 10 CDCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)Cc1ccc(N)cc1)C2 ZINC001160964600 938851522 /nfs/dbraw/zinc/85/15/22/938851522.db2.gz QIWJDAQNGPMYFF-CZUORRHYSA-N 1 0 273.380 1.221 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c1O ZINC001203602969 939696118 /nfs/dbraw/zinc/69/61/18/939696118.db2.gz DOPYZBDCNAUTPW-GDBMZVCRSA-N 1 0 295.379 1.356 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c1O ZINC001203614177 939696758 /nfs/dbraw/zinc/69/67/58/939696758.db2.gz SQDCDCHTNINTMV-AAEUAGOBSA-N 1 0 290.363 1.359 20 10 CDCDRO COc1ccc(CN2CC(C)([NH+](C)C)C2)c(O)c1 ZINC001203629186 939697843 /nfs/dbraw/zinc/69/78/43/939697843.db2.gz SJIQAANYVPBCHO-UHFFFAOYSA-N 1 0 250.342 1.537 20 10 CDCDRO C[NH+]1CC2(CN(Cc3cc(Br)ccc3O)C2)C1 ZINC001203647972 939699691 /nfs/dbraw/zinc/69/96/91/939699691.db2.gz ATXXEABHBYYTBW-UHFFFAOYSA-N 1 0 297.196 1.902 20 10 CDCDRO CN(C)C(=O)NC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879850 939710751 /nfs/dbraw/zinc/71/07/51/939710751.db2.gz GHUVGPZHHUDWOH-UHFFFAOYSA-N 1 0 293.367 1.333 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203884710 939711930 /nfs/dbraw/zinc/71/19/30/939711930.db2.gz ZCFZNPOHCPTENZ-NEPJUHHUSA-N 1 0 261.321 1.899 20 10 CDCDRO CN(C)c1ccc(CN2CCOC[C@@H]2C[NH+](C)C)cc1 ZINC001203937668 939715385 /nfs/dbraw/zinc/71/53/85/939715385.db2.gz KIMRUGFSJORLSB-INIZCTEOSA-N 1 0 277.412 1.515 20 10 CDCDRO C[N@H+](Cc1ccc(O)cc1O)C1CCS(=O)(=O)CC1 ZINC001204281525 939751871 /nfs/dbraw/zinc/75/18/71/939751871.db2.gz UFBGWLNKODAKPQ-UHFFFAOYSA-N 1 0 285.365 1.107 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)cc(O)c1O ZINC001204341763 939757447 /nfs/dbraw/zinc/75/74/47/939757447.db2.gz GDIHGNXFLZJUSM-JQWIXIFHSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc(O)c1O ZINC001204346189 939758393 /nfs/dbraw/zinc/75/83/93/939758393.db2.gz GFWOSFOMACVTKN-PHIMTYICSA-N 1 0 265.309 1.185 20 10 CDCDRO COc1cc(CN2C[C@@H]3CCO[C@@H]3C2)cc(O)c1O ZINC001204346483 939759047 /nfs/dbraw/zinc/75/90/47/939759047.db2.gz RMSSQQLWRNRNFS-GXFFZTMASA-N 1 0 265.309 1.327 20 10 CDCDRO [NH3+][C@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1F ZINC001204820994 939794199 /nfs/dbraw/zinc/79/41/99/939794199.db2.gz WZTWXXYOSPDJBR-ZJUUUORDSA-N 1 0 289.148 1.636 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(O)c(O)cc1O ZINC001205082925 939821067 /nfs/dbraw/zinc/82/10/67/939821067.db2.gz KTFRKTGWXPZIDA-WPRPVWTQSA-N 1 0 252.314 1.115 20 10 CDCDRO COc1cc(O)c(CN2[C@@H](C)CC[C@H]2C[NH3+])cc1OC ZINC001205082711 939821358 /nfs/dbraw/zinc/82/13/58/939821358.db2.gz IMERILPUVQKVMQ-JQWIXIFHSA-N 1 0 280.368 1.721 20 10 CDCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001205229714 939839900 /nfs/dbraw/zinc/83/99/00/939839900.db2.gz OKIWRWYCZCUHSI-CQSZACIVSA-N 1 0 286.322 1.346 20 10 CDCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(O)c(O)c(O)c2)C1 ZINC001205838182 939943186 /nfs/dbraw/zinc/94/31/86/939943186.db2.gz BBPFQXZCNZKTLU-MWLCHTKSSA-N 1 0 266.341 1.363 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2O)CCC[C@H]1C[NH3+] ZINC001206014761 939967545 /nfs/dbraw/zinc/96/75/45/939967545.db2.gz XZLIWDOGNDKCFM-YPMHNXCESA-N 1 0 292.379 1.897 20 10 CDCDRO Cn1c(=O)ccc2ccc(-c3cnn(CC[NH+](C)C)c3)cc21 ZINC001206372943 940027914 /nfs/dbraw/zinc/02/79/14/940027914.db2.gz FPUVEJAGEDMERJ-UHFFFAOYSA-N 1 0 296.374 1.964 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000400150630 940843182 /nfs/dbraw/zinc/84/31/82/940843182.db2.gz BJAPDAABRWUPOD-NEPJUHHUSA-N 1 0 298.408 1.385 20 10 CDCDRO [NH3+]CCNCc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217730729 941013604 /nfs/dbraw/zinc/01/36/04/941013604.db2.gz YBVVVWCSURELAV-UHFFFAOYSA-N 1 0 283.335 1.576 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC[C@H]3C[C@H](O)C3)cc2)CC1 ZINC001218429218 941216565 /nfs/dbraw/zinc/21/65/65/941216565.db2.gz JELDPRRGBTXTJP-KOMQPUFPSA-N 1 0 290.407 1.978 20 10 CDCDRO O=C(NC1CC2(C1)CC[NH2+]CC2)c1cccc(O)c1O ZINC001219781157 941387129 /nfs/dbraw/zinc/38/71/29/941387129.db2.gz QHRQXFPVEVEQHO-UHFFFAOYSA-N 1 0 276.336 1.360 20 10 CDCDRO Oc1ccc(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)c(O)c1 ZINC001222667076 941622809 /nfs/dbraw/zinc/62/28/09/941622809.db2.gz DOKZFPOSVDIAJT-INIZCTEOSA-N 1 0 291.395 1.015 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)c(O)c1 ZINC001277454492 942613518 /nfs/dbraw/zinc/61/35/18/942613518.db2.gz UCFBOABBOWJUDF-KTJYFRGRSA-N 1 0 290.363 1.390 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c(O)cc1O ZINC001231634279 942949702 /nfs/dbraw/zinc/94/97/02/942949702.db2.gz KPMMUQIKQRBRTO-QWRGUYRKSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)c(O)cc1O ZINC001231633616 942949952 /nfs/dbraw/zinc/94/99/52/942949952.db2.gz QOTZJRAZBJVLLR-LLVKDONJSA-N 1 0 299.367 1.060 20 10 CDCDRO COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)cc1O ZINC001231639316 942956732 /nfs/dbraw/zinc/95/67/32/942956732.db2.gz PDNMMJPCDFCGSD-OLZOCXBDSA-N 1 0 292.379 1.775 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]c(=O)[nH]c2=O)cc1 ZINC001231709765 942986879 /nfs/dbraw/zinc/98/68/79/942986879.db2.gz YRTUWMFAAUOKLQ-UHFFFAOYSA-N 1 0 288.351 1.586 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC001231847474 943029785 /nfs/dbraw/zinc/02/97/85/943029785.db2.gz YRKAKPYYKLZZSP-GFCCVEGCSA-N 1 0 283.393 1.628 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)cc1Cl ZINC001231868043 943035358 /nfs/dbraw/zinc/03/53/58/943035358.db2.gz PMTGAZZVNMTPGF-LSDHHAIUSA-N 1 0 299.798 1.919 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1Cl ZINC001231867984 943036686 /nfs/dbraw/zinc/03/66/86/943036686.db2.gz OVVXHVIGHPXBDF-HIFRSBDPSA-N 1 0 296.798 1.869 20 10 CDCDRO C[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)CC[N@@H+]1C ZINC001232262172 943192188 /nfs/dbraw/zinc/19/21/88/943192188.db2.gz BIOYRCHGEJXNEX-SECBINFHSA-N 1 0 270.760 1.887 20 10 CDCDRO C[NH+]1CC2(CN(Cc3cc(Cl)c(O)cc3O)C2)C1 ZINC001232263595 943194237 /nfs/dbraw/zinc/19/42/37/943194237.db2.gz BEDLOCOORNOUGX-UHFFFAOYSA-N 1 0 268.744 1.499 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CC[C@H]3C2)cc1Cl ZINC001232271674 943197060 /nfs/dbraw/zinc/19/70/60/943197060.db2.gz ZVJQUHPBWIZQCS-NSHDSACASA-N 1 0 282.771 1.944 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001232835472 943414232 /nfs/dbraw/zinc/41/42/32/943414232.db2.gz CTEMSWPEWBIPSS-CVEARBPZSA-N 1 0 294.395 1.023 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232841659 943417607 /nfs/dbraw/zinc/41/76/07/943417607.db2.gz NPLQBHVNRGENBC-AWEZNQCLSA-N 1 0 291.395 1.559 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)CC[C@]1(C)O ZINC001233010885 943460879 /nfs/dbraw/zinc/46/08/79/943460879.db2.gz WKSJYBQCDRRVMR-BMIGLBTASA-N 1 0 281.352 1.786 20 10 CDCDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015523 943463164 /nfs/dbraw/zinc/46/31/64/943463164.db2.gz QLZAMMMWPVEAHX-GFCCVEGCSA-N 1 0 280.368 1.718 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@@H]1CCC2(C1)OCCO2 ZINC001233015937 943465040 /nfs/dbraw/zinc/46/50/40/943465040.db2.gz JVIMZHSUIONNFS-LLVKDONJSA-N 1 0 295.335 1.531 20 10 CDCDRO C[NH+](C)CCN1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233332118 943546660 /nfs/dbraw/zinc/54/66/60/943546660.db2.gz ZHZIVABMSUCWNB-UHFFFAOYSA-N 1 0 299.365 1.350 20 10 CDCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233454509 943588138 /nfs/dbraw/zinc/58/81/38/943588138.db2.gz XBRNOYLTGFFBEJ-SECBINFHSA-N 1 0 288.269 1.718 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)[C@@H](C)C1 ZINC001233487867 943595092 /nfs/dbraw/zinc/59/50/92/943595092.db2.gz VDQIXJZIDSJIQP-GXSJLCMTSA-N 1 0 267.325 1.803 20 10 CDCDRO Oc1ccc2ccccc2c1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234986574 943996863 /nfs/dbraw/zinc/99/68/63/943996863.db2.gz DSGJCXASURGWMK-SFHVURJKSA-N 1 0 297.402 1.683 20 10 CDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC001235990649 944355377 /nfs/dbraw/zinc/35/53/77/944355377.db2.gz KLSVDTCGSWCFDV-RNCFNFMXSA-N 1 0 252.745 1.969 20 10 CDCDRO CN1CCOc2cc(CN3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235998727 944366001 /nfs/dbraw/zinc/36/60/01/944366001.db2.gz ZDUSNTWVPUDBAK-CZUORRHYSA-N 1 0 273.380 1.438 20 10 CDCDRO Cc1cc(Cl)cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236031597 944385877 /nfs/dbraw/zinc/38/58/77/944385877.db2.gz XOSGSTXMHLJPEP-ZWNOBZJWSA-N 1 0 252.745 1.887 20 10 CDCDRO CN1CCCc2cc(CN3C[C@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001236286846 944446473 /nfs/dbraw/zinc/44/64/73/944446473.db2.gz LUJRIOZRURGCRJ-ZBFHGGJFSA-N 1 0 257.381 1.473 20 10 CDCDRO Oc1ccc(C(F)(F)F)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236295163 944453950 /nfs/dbraw/zinc/45/39/50/944453950.db2.gz PSVIOJQQEJEBFD-GXSJLCMTSA-N 1 0 272.270 1.815 20 10 CDCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H]1[NH3+] ZINC001236358084 944483354 /nfs/dbraw/zinc/48/33/54/944483354.db2.gz TYRKKJLNZONAIP-RYUDHWBXSA-N 1 0 298.770 1.286 20 10 CDCDRO COc1ccc(N2CCN(C[C@H](C)[NH3+])CC2)c(C)c1 ZINC001236368005 944484461 /nfs/dbraw/zinc/48/44/61/944484461.db2.gz RWNVAORLLMDJRB-ZDUSSCGKSA-N 1 0 263.385 1.473 20 10 CDCDRO CC[NH2+]CCN1CCN(c2ccc(OCC)cc2)CC1 ZINC001236434972 944496664 /nfs/dbraw/zinc/49/66/64/944496664.db2.gz ZRIHQEDZKSUWBN-UHFFFAOYSA-N 1 0 277.412 1.817 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CC(F)C3)c(F)c2)CC1 ZINC001236931336 944618022 /nfs/dbraw/zinc/61/80/22/944618022.db2.gz JHAAPJVHNXNUMX-UHFFFAOYSA-N 1 0 281.350 1.731 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001237485359 944809799 /nfs/dbraw/zinc/80/97/99/944809799.db2.gz OTWKHGINUWDBLS-JSGCOSHPSA-N 1 0 253.317 1.995 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC(N(C)C2COC2)C1 ZINC001237486668 944813220 /nfs/dbraw/zinc/81/32/20/944813220.db2.gz APZWDZYJLXVZEQ-UHFFFAOYSA-N 1 0 262.353 1.215 20 10 CDCDRO Cc1cc(F)cc(CN2CC3(C2)C[NH+](C)C3)c1O ZINC001238068528 945049604 /nfs/dbraw/zinc/04/96/04/945049604.db2.gz ZIPXFDZPMFNCRT-UHFFFAOYSA-N 1 0 250.317 1.587 20 10 CDCDRO CC[C@]1(C(=O)OC)C[C@H]([NH2+]Cc2ccc(N)cc2)CN1 ZINC001246168019 948003514 /nfs/dbraw/zinc/00/35/14/948003514.db2.gz CKSDEZZVPVSEEI-DZGCQCFKSA-N 1 0 277.368 1.042 20 10 CDCDRO C[C@H](Cc1ccncc1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001256724604 948409594 /nfs/dbraw/zinc/40/95/94/948409594.db2.gz YMKRBOLTQKWNST-LLVKDONJSA-N 1 0 286.331 1.896 20 10 CDCDRO Cc1cc(C)c(CNC(=S)NCC[NH+](C)C)c(O)c1 ZINC001249849304 949844295 /nfs/dbraw/zinc/84/42/95/949844295.db2.gz DPKGAGGRXHKGKD-UHFFFAOYSA-N 1 0 281.425 1.535 20 10 CDCDRO CCCCOC[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001252532360 951417647 /nfs/dbraw/zinc/41/76/47/951417647.db2.gz BCVPBGWGRZOOTQ-CQSZACIVSA-N 1 0 267.369 1.968 20 10 CDCDRO COc1cc(C)c(C[NH2+]CC(=O)NC2CC2)c(O)c1 ZINC001308748852 956575518 /nfs/dbraw/zinc/57/55/18/956575518.db2.gz WJHOLSKRAWMRHW-UHFFFAOYSA-N 1 0 264.325 1.077 20 10 CDCDRO CN1CCC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1=O ZINC001331248780 956916248 /nfs/dbraw/zinc/91/62/48/956916248.db2.gz ANFIYXCCRPTVEZ-MRXNPFEDSA-N 1 0 287.407 1.997 20 10 CDCDRO [NH3+]C1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC001337024283 960864214 /nfs/dbraw/zinc/86/42/14/960864214.db2.gz OUIMRLANNLNMSY-UHFFFAOYSA-N 1 0 289.379 1.562 20 10 CDCDRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001338792712 961999141 /nfs/dbraw/zinc/99/91/41/961999141.db2.gz HPKGLCFAEYERRE-AWEZNQCLSA-N 1 0 262.357 1.149 20 10 CDCDRO Nc1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC001346210331 964989510 /nfs/dbraw/zinc/98/95/10/964989510.db2.gz PGTDOVLDMGBXAU-NSHDSACASA-N 1 0 269.295 1.130 20 10 CDCDRO Nc1ccc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001352789011 967482240 /nfs/dbraw/zinc/48/22/40/967482240.db2.gz UCOBWZUGFCOBQJ-HNNXBMFYSA-N 1 0 275.396 1.423 20 10 CDCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC001353618293 968106848 /nfs/dbraw/zinc/10/68/48/968106848.db2.gz LNRUWIGVRBCCHJ-CYBMUJFWSA-N 1 0 292.379 1.834 20 10 CDCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)N1CCC1 ZINC000848991218 969385159 /nfs/dbraw/zinc/38/51/59/969385159.db2.gz NNYOUZCEBJRFKT-UHFFFAOYSA-N 1 0 274.368 1.253 20 10 CDCDRO CSC[C@](C)(O)C[NH2+]Cc1cc(C)ccc1O ZINC000217853124 398207454 /nfs/dbraw/zinc/20/74/54/398207454.db2.gz TYXUEXMCBKXBCZ-CYBMUJFWSA-N 1 0 255.383 1.904 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000092763730 342418889 /nfs/dbraw/zinc/41/88/89/342418889.db2.gz SIRFXFRDQGYCDL-NSHDSACASA-N 1 0 251.326 1.605 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418102923 529968609 /nfs/dbraw/zinc/96/86/09/529968609.db2.gz VEAXSCGUOBTOOH-UHFFFAOYSA-N 1 0 288.395 1.895 20 10 CDCDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccccc1O ZINC000038013537 356953093 /nfs/dbraw/zinc/95/30/93/356953093.db2.gz OVCIJDCZRYOHNG-LLVKDONJSA-N 1 0 250.342 1.787 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296880381 200024424 /nfs/dbraw/zinc/02/44/24/200024424.db2.gz OEJBZQZOXAAAQO-JQWIXIFHSA-N 1 0 283.393 1.792 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCSCCCO)c1 ZINC000224792965 360283651 /nfs/dbraw/zinc/28/36/51/360283651.db2.gz DKHFIDOYXWCWPL-UHFFFAOYSA-N 1 0 271.382 1.606 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000268852237 364104212 /nfs/dbraw/zinc/10/42/12/364104212.db2.gz PXEFASSUERPWCN-QWHCGFSZSA-N 1 0 296.386 1.941 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000269051949 364130836 /nfs/dbraw/zinc/13/08/36/364130836.db2.gz WCEFGQOXBCVMSN-SNVBAGLBSA-N 1 0 267.348 1.506 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272473034 365254620 /nfs/dbraw/zinc/25/46/20/365254620.db2.gz AVFYSPLWLKZZBR-NWDGAFQWSA-N 1 0 265.353 1.994 20 10 CDCDRO Cc1cc(CN2CCNC(=O)[C@@H]2C)ccc1N(C)C ZINC000292958138 370460051 /nfs/dbraw/zinc/46/00/51/370460051.db2.gz CLXONWKQEDBNKN-LBPRGKRZSA-N 1 0 261.369 1.381 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000295218885 371154385 /nfs/dbraw/zinc/15/43/85/371154385.db2.gz QTMMORRZUPKNAK-UKRRQHHQSA-N 1 0 275.396 1.835 20 10 CDCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000138331092 375818094 /nfs/dbraw/zinc/81/80/94/375818094.db2.gz HWPPMELILFCSIY-ZDUSSCGKSA-N 1 0 298.408 1.133 20 10 CDCDRO CC(C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+](C)C ZINC000122635275 390905119 /nfs/dbraw/zinc/90/51/19/390905119.db2.gz DOISTRDRCDBXMR-AWEZNQCLSA-N 1 0 280.368 1.343 20 10 CDCDRO COC(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000183486716 391265773 /nfs/dbraw/zinc/26/57/73/391265773.db2.gz HVAUMGRVFJCFAV-UHFFFAOYSA-N 1 0 279.336 1.786 20 10 CDCDRO OCC[N@H+](Cc1cccnc1)Cc1ccccc1O ZINC000271351045 391293216 /nfs/dbraw/zinc/29/32/16/391293216.db2.gz LKSGVGPCEYJXFJ-UHFFFAOYSA-N 1 0 258.321 1.782 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccccc1O ZINC000281917012 391426160 /nfs/dbraw/zinc/42/61/60/391426160.db2.gz AHFYRFLAICGNTD-CMPLNLGQSA-N 1 0 268.332 1.907 20 10 CDCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282367957 391467186 /nfs/dbraw/zinc/46/71/86/391467186.db2.gz NTLPUNJJVZYBBW-IINYFYTJSA-N 1 0 279.359 1.506 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372371270 391850474 /nfs/dbraw/zinc/85/04/74/391850474.db2.gz WIQCGHMTWUWNSU-LBPRGKRZSA-N 1 0 274.324 1.439 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000273378287 292014142 /nfs/dbraw/zinc/01/41/42/292014142.db2.gz HRPUQLLCJXQRFP-LLVKDONJSA-N 1 0 280.368 1.781 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000841941147 620635941 /nfs/dbraw/zinc/63/59/41/620635941.db2.gz KWMUPRZQLUXAGL-VHSXEESVSA-N 1 0 279.340 1.123 20 10 CDCDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000038029449 174020805 /nfs/dbraw/zinc/02/08/05/174020805.db2.gz KAWPQUDYKCAXGW-CYBMUJFWSA-N 1 0 275.396 1.802 20 10 CDCDRO CC[C@H]([NH2+]C[C@H]1COCCO1)c1ccccc1O ZINC000038060224 174070760 /nfs/dbraw/zinc/07/07/60/174070760.db2.gz VOUZJJOSIHZPBA-AAEUAGOBSA-N 1 0 251.326 1.848 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CO)C(C)C)c1O ZINC000156370155 261121689 /nfs/dbraw/zinc/12/16/89/261121689.db2.gz SSEDHIBBZUPVHT-CYBMUJFWSA-N 1 0 269.316 1.840 20 10 CDCDRO NC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000157088263 261139830 /nfs/dbraw/zinc/13/98/30/261139830.db2.gz RKHKVRGUTQEREN-HNNXBMFYSA-N 1 0 287.407 1.984 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000178712668 261756960 /nfs/dbraw/zinc/75/69/60/261756960.db2.gz LYABVTJXENYZJD-CQSZACIVSA-N 1 0 275.396 1.759 20 10 CDCDRO C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000179582124 261799819 /nfs/dbraw/zinc/79/98/19/261799819.db2.gz RWDISWPSBWUKKG-RYUDHWBXSA-N 1 0 282.359 1.694 20 10 CDCDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1cc(F)ccc1O ZINC000186212142 262084616 /nfs/dbraw/zinc/08/46/16/262084616.db2.gz ASYBVDXXTBKMHH-SECBINFHSA-N 1 0 255.289 1.945 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCCOCCO)c(O)c1 ZINC000186514413 262096611 /nfs/dbraw/zinc/09/66/11/262096611.db2.gz SGPBIJLYYDAHNI-LBPRGKRZSA-N 1 0 253.342 1.750 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C[NH3+])OC)cc1F ZINC000290211804 263115399 /nfs/dbraw/zinc/11/53/99/263115399.db2.gz SCXAOPCBTMLIAH-CQSZACIVSA-N 1 0 297.374 1.262 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368443841 267172959 /nfs/dbraw/zinc/17/29/59/267172959.db2.gz WEHWTLSNYGKXJT-LLVKDONJSA-N 1 0 263.337 1.869 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1F ZINC000237056753 328004466 /nfs/dbraw/zinc/00/44/66/328004466.db2.gz PXZFNDBBRWBNAV-CYBMUJFWSA-N 1 0 281.375 1.881 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COCCN2)c(O)c1 ZINC000530227344 328718433 /nfs/dbraw/zinc/71/84/33/328718433.db2.gz SJNCFQKQEUBDPI-CHWSQXEVSA-N 1 0 264.369 1.648 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000234979239 333363667 /nfs/dbraw/zinc/36/36/67/333363667.db2.gz LLDCHIQAKPPJHH-CQSZACIVSA-N 1 0 264.325 1.098 20 10 CDCDRO Cn1cncc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237936833 333382181 /nfs/dbraw/zinc/38/21/81/333382181.db2.gz WTYIKIYOUFTEOI-UHFFFAOYSA-N 1 0 286.379 1.547 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)c1 ZINC000228356616 1161399369 /nfs/dbraw/zinc/39/93/69/1161399369.db2.gz XUVYCXFYCHLEQT-LBPRGKRZSA-N 1 0 264.325 1.111 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH+](C)C ZINC000263896224 521318606 /nfs/dbraw/zinc/31/86/06/521318606.db2.gz NWURKGQKNMESSP-UHFFFAOYSA-N 1 0 263.385 1.663 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCNC(=O)C2CC2)cc1 ZINC000078372427 522208970 /nfs/dbraw/zinc/20/89/70/522208970.db2.gz SASJJZVEMOVZIM-UHFFFAOYSA-N 1 0 261.369 1.368 20 10 CDCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1ccc(N(C)C)cc1 ZINC000291998361 522907611 /nfs/dbraw/zinc/90/76/11/522907611.db2.gz XJXGGFXXGQFKOG-SMDDNHRTSA-N 1 0 263.385 1.928 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1cccc(C)c1O ZINC000289571450 523698624 /nfs/dbraw/zinc/69/86/24/523698624.db2.gz ZRFXTUJMTUPEDC-UHFFFAOYSA-N 1 0 266.385 1.711 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CC[NH2+]C3)ccc21 ZINC000237128749 523861087 /nfs/dbraw/zinc/86/10/87/523861087.db2.gz CCUVJBMOOJAFBF-CQSZACIVSA-N 1 0 273.380 1.295 20 10 CDCDRO COCCOCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000290176650 523999827 /nfs/dbraw/zinc/99/98/27/523999827.db2.gz NJPLMTRRDDSIEE-UHFFFAOYSA-N 1 0 269.341 1.496 20 10 CDCDRO CNC(=O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279550211 524074644 /nfs/dbraw/zinc/07/46/44/524074644.db2.gz BBKZSZQJMJAGEN-UHFFFAOYSA-N 1 0 289.301 1.607 20 10 CDCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000125482571 524521490 /nfs/dbraw/zinc/52/14/90/524521490.db2.gz WIJUFOKTDKSHKU-KPZWWZAWSA-N 1 0 268.426 1.999 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000274933128 524744805 /nfs/dbraw/zinc/74/48/05/524744805.db2.gz OVNFKQITTQDCKP-UHFFFAOYSA-N 1 0 287.319 1.042 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCCOCC2)c1 ZINC000289491281 524768143 /nfs/dbraw/zinc/76/81/43/524768143.db2.gz RRHAJBXRENABLG-ZDUSSCGKSA-N 1 0 294.395 1.774 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCOCCO)c1 ZINC000020198843 524768767 /nfs/dbraw/zinc/76/87/67/524768767.db2.gz AADUJGMUHLXDMO-JTQLQIEISA-N 1 0 255.314 1.060 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1C ZINC000265726721 525315841 /nfs/dbraw/zinc/31/58/41/525315841.db2.gz PAARXCZMLXNBOS-ZDUSSCGKSA-N 1 0 262.353 1.672 20 10 CDCDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(O)c1O ZINC000277121569 526105037 /nfs/dbraw/zinc/10/50/37/526105037.db2.gz FPDJAEMQBCNAGD-LBPRGKRZSA-N 1 0 292.379 1.963 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000237944770 527480819 /nfs/dbraw/zinc/48/08/19/527480819.db2.gz ZJBARWMJVKJEPY-KBMXLJTQSA-N 1 0 287.407 1.848 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000729282137 574744870 /nfs/dbraw/zinc/74/48/70/574744870.db2.gz LBFPDDNHYRVADY-AWEZNQCLSA-N 1 0 275.396 1.663 20 10 CDCDRO CC[NH+](CC)CCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000772207524 575671245 /nfs/dbraw/zinc/67/12/45/575671245.db2.gz OQFVKMJNLDLSOH-VURMDHGXSA-N 1 0 279.336 1.996 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000765795588 576056820 /nfs/dbraw/zinc/05/68/20/576056820.db2.gz KDDNUAQWJJCMHJ-WDEREUQCSA-N 1 0 292.335 1.125 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cc(C)ccc2O)CCOC1 ZINC000766470208 576105039 /nfs/dbraw/zinc/10/50/39/576105039.db2.gz PSVBCNNPTOAPFL-OAHLLOKOSA-N 1 0 279.336 1.512 20 10 CDCDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C2)cc1OC ZINC000768464913 576286989 /nfs/dbraw/zinc/28/69/89/576286989.db2.gz XDRZLHMCLNJUQU-LLVKDONJSA-N 1 0 267.325 1.630 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769403871 576352247 /nfs/dbraw/zinc/35/22/47/576352247.db2.gz YAZRBBJRUOLIAE-NSHDSACASA-N 1 0 251.326 1.869 20 10 CDCDRO CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1O ZINC000759958771 576448130 /nfs/dbraw/zinc/44/81/30/576448130.db2.gz PZIFBSDNFLWHQW-UHFFFAOYSA-N 1 0 271.320 1.783 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC(O)C1 ZINC000761222615 576561150 /nfs/dbraw/zinc/56/11/50/576561150.db2.gz KOIBYNFDDRRSTC-UHFFFAOYSA-N 1 0 251.282 1.076 20 10 CDCDRO CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000761606523 576585336 /nfs/dbraw/zinc/58/53/36/576585336.db2.gz IKZGHNIEEABICE-UHFFFAOYSA-N 1 0 298.408 1.419 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1O ZINC000757663526 577049529 /nfs/dbraw/zinc/04/95/29/577049529.db2.gz CBVROKSKVSKPSN-BXUZGUMPSA-N 1 0 289.379 1.674 20 10 CDCDRO C[C@H]1CCN(CC[NH2+]Cc2cc(F)ccc2O)C1 ZINC000779120229 617411537 /nfs/dbraw/zinc/41/15/37/617411537.db2.gz FEAWGJFENWYLPG-NSHDSACASA-N 1 0 252.333 1.963 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892018908 617413214 /nfs/dbraw/zinc/41/32/14/617413214.db2.gz OCCQTQFBSJHKBK-GFCCVEGCSA-N 1 0 263.341 1.401 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892019500 617413404 /nfs/dbraw/zinc/41/34/04/617413404.db2.gz QIZHYHFZVUSPAT-CMPLNLGQSA-N 1 0 265.357 1.736 20 10 CDCDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892093075 617474392 /nfs/dbraw/zinc/47/43/92/617474392.db2.gz MMJDBUMDURXAJK-ZWNOBZJWSA-N 1 0 275.352 1.415 20 10 CDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000892199309 617545963 /nfs/dbraw/zinc/54/59/63/617545963.db2.gz MCNNFESQXSANSE-GMTAPVOTSA-N 1 0 265.357 1.878 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c(O)c1OC ZINC000893472329 617964471 /nfs/dbraw/zinc/96/44/71/617964471.db2.gz QHGOCLLDTNMHEM-QWRGUYRKSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(C[N@H+](C)CC2(CO)CC2)c(O)c1OC ZINC000893884532 618138127 /nfs/dbraw/zinc/13/81/27/618138127.db2.gz DNDBQUNOHFGLLL-UHFFFAOYSA-N 1 0 281.352 1.614 20 10 CDCDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccc(OC)c1O ZINC000843057985 618691784 /nfs/dbraw/zinc/69/17/84/618691784.db2.gz JWYDQQKJBBFKLP-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000843057844 618691850 /nfs/dbraw/zinc/69/18/50/618691850.db2.gz MMBNDQHHTLOTTE-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCCOCC2)c1O ZINC000894777851 619053850 /nfs/dbraw/zinc/05/38/50/619053850.db2.gz SZXQTGSHRJYSSJ-UHFFFAOYSA-N 1 0 294.395 1.521 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCNC2=O)c(O)c1OC ZINC000894866777 619109809 /nfs/dbraw/zinc/10/98/09/619109809.db2.gz BRIHMCDJIQVQEP-LLVKDONJSA-N 1 0 294.351 1.025 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000894939361 619156156 /nfs/dbraw/zinc/15/61/56/619156156.db2.gz CUKISDPNJIIADA-CYBMUJFWSA-N 1 0 265.353 1.960 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCCC2=O)c1O ZINC000895147288 619354907 /nfs/dbraw/zinc/35/49/07/619354907.db2.gz RBOSSGQBSCYDOI-UHFFFAOYSA-N 1 0 278.352 1.421 20 10 CDCDRO CS[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@@H]1[NH+](C)C ZINC000841295589 619619216 /nfs/dbraw/zinc/61/92/16/619619216.db2.gz CAZMWEQMHAUAJU-QWHCGFSZSA-N 1 0 294.424 1.778 20 10 CDCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000895433374 619659221 /nfs/dbraw/zinc/65/92/21/619659221.db2.gz LMJXOPLBYBEMBY-AWEZNQCLSA-N 1 0 274.364 1.626 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897201739 620414163 /nfs/dbraw/zinc/41/41/63/620414163.db2.gz MFZLRVOCHVAGKT-GFCCVEGCSA-N 1 0 251.326 1.596 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000865710889 621019369 /nfs/dbraw/zinc/01/93/69/621019369.db2.gz FWCIWHQEQNQJEQ-WRWORJQWSA-N 1 0 279.258 1.802 20 10 CDCDRO CCOCc1cc(CNCC[NH2+]C)ccc1OC ZINC000841034827 621042738 /nfs/dbraw/zinc/04/27/38/621042738.db2.gz FQALDZRDGWRXJA-UHFFFAOYSA-N 1 0 252.358 1.541 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1O ZINC000897683569 621071755 /nfs/dbraw/zinc/07/17/55/621071755.db2.gz DVPJXNFIGTUVAH-WBMJQRKESA-N 1 0 294.370 1.475 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C)C2)c1 ZINC000042544477 624494159 /nfs/dbraw/zinc/49/41/59/624494159.db2.gz XWLLTLJUKSCESQ-QWRGUYRKSA-N 1 0 250.342 1.756 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C1CCOCC1)OCO2 ZINC000042879818 626220759 /nfs/dbraw/zinc/22/07/59/626220759.db2.gz VNRAHVWEJCERBZ-UHFFFAOYSA-N 1 0 251.282 1.390 20 10 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/nfs/dbraw/zinc/78/05/09/1164780509.db2.gz PNFUXXMTUGXDER-KOLSJAJHSA-N 1 0 257.717 1.456 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H](O)COCC(C)C)c(O)c1 ZINC000876966577 730422514 /nfs/dbraw/zinc/42/25/14/730422514.db2.gz WROUBABSTGUYNC-CQSZACIVSA-N 1 0 267.369 1.824 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2COC[C@@H]2OC)c1O ZINC000839193040 730447593 /nfs/dbraw/zinc/44/75/93/730447593.db2.gz NGAUFQHCHGQILA-YPMHNXCESA-N 1 0 267.325 1.294 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c(O)c1 ZINC000877326281 730457184 /nfs/dbraw/zinc/45/71/84/730457184.db2.gz VRAVKTMQJYERJF-APPDUMDISA-N 1 0 255.383 1.899 20 10 CDCDRO C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817962238 730461678 /nfs/dbraw/zinc/46/16/78/730461678.db2.gz JRWUZZZIAWIAFR-IUCAKERBSA-N 1 0 253.302 1.546 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1 ZINC000878984630 730470562 /nfs/dbraw/zinc/47/05/62/730470562.db2.gz VYLQBCXTOIMZLC-GJZGRUSLSA-N 1 0 264.369 1.070 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848407064 730473091 /nfs/dbraw/zinc/47/30/91/730473091.db2.gz LRUWFOBXOWXUSR-WBVHZDCISA-N 1 0 287.407 1.759 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000877347772 730481508 /nfs/dbraw/zinc/48/15/08/730481508.db2.gz QOYQIQDSUSVGCF-QGZVFWFLSA-N 1 0 295.386 1.642 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)C2CC2)cc1F ZINC000858136144 730509466 /nfs/dbraw/zinc/50/94/66/730509466.db2.gz LKUNSYXAJJSYTK-AWEZNQCLSA-N 1 0 270.323 1.891 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1OC ZINC000817414601 730538959 /nfs/dbraw/zinc/53/89/59/730538959.db2.gz MAXIQLQPYOWACB-PWSUYJOCSA-N 1 0 281.352 1.755 20 10 CDCDRO CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccc(N)cc1 ZINC000877074430 730571976 /nfs/dbraw/zinc/57/19/76/730571976.db2.gz KHNSPTHLGYDHNJ-DZGCQCFKSA-N 1 0 259.353 1.621 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000814177829 730599098 /nfs/dbraw/zinc/59/90/98/730599098.db2.gz QFBIGJVTGGSFBK-UHFFFAOYSA-N 1 0 250.342 1.706 20 10 CDCDRO OCC1(CO)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000877798028 730608525 /nfs/dbraw/zinc/60/85/25/730608525.db2.gz VDLQQASKEIUDMJ-UHFFFAOYSA-N 1 0 285.771 1.612 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000848432155 730609515 /nfs/dbraw/zinc/60/95/15/730609515.db2.gz ZTKNFUDBGIRJCK-LBPRGKRZSA-N 1 0 279.384 1.198 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CC[C@@]1(O)CCCOC1)CC2 ZINC000846211020 730623859 /nfs/dbraw/zinc/62/38/59/730623859.db2.gz FLPCSTGFJURHRV-CJNGLKHVSA-N 1 0 277.364 1.901 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000783524603 730624409 /nfs/dbraw/zinc/62/44/09/730624409.db2.gz HZXSMKDXOCBJSL-CYZMBNFOSA-N 1 0 262.353 1.958 20 10 CDCDRO Cc1cc(Cn2cc(CC[NH3+])nn2)ccc1N(C)C ZINC000881377303 730664779 /nfs/dbraw/zinc/66/47/79/730664779.db2.gz JTDXGURWXHMVMY-UHFFFAOYSA-N 1 0 259.357 1.202 20 10 CDCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000922641230 730678980 /nfs/dbraw/zinc/67/89/80/730678980.db2.gz 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VOWBOJSYVOWSCJ-UPJWGTAASA-N 1 0 283.368 1.455 20 10 CDCDRO CCOc1cccc(C[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000840964773 731432281 /nfs/dbraw/zinc/43/22/81/731432281.db2.gz PTWVGXHHBHKRJY-UHFFFAOYSA-N 1 0 299.392 1.458 20 10 CDCDRO C[C@@H]([NH2+]CCC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000818978191 731432839 /nfs/dbraw/zinc/43/28/39/731432839.db2.gz FPJYZWZSKFPZBJ-GFCCVEGCSA-N 1 0 277.368 1.049 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)C[NH3+] ZINC000841962275 731438627 /nfs/dbraw/zinc/43/86/27/731438627.db2.gz HNFBJKBNLMOHTO-GFCCVEGCSA-N 1 0 279.384 1.909 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC2(O)CCOCC2)cc1Cl ZINC000825241399 731479077 /nfs/dbraw/zinc/47/90/77/731479077.db2.gz RLTVYYNJVMCXKS-UHFFFAOYSA-N 1 0 285.771 1.985 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858338881 731499901 /nfs/dbraw/zinc/49/99/01/731499901.db2.gz MYEAHKKPVVYOBD-JTQLQIEISA-N 1 0 270.760 1.202 20 10 CDCDRO C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000133463037 731587265 /nfs/dbraw/zinc/58/72/65/731587265.db2.gz CWVRVQKUUCOCOW-ZFWWWQNUSA-N 1 0 277.412 1.609 20 10 CDCDRO CN(C)C(=O)CN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775647511 731599158 /nfs/dbraw/zinc/59/91/58/731599158.db2.gz WQPNLFXSWCAIMQ-UHFFFAOYSA-N 1 0 274.723 1.705 20 10 CDCDRO OCCN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816478191 731610190 /nfs/dbraw/zinc/61/01/90/731610190.db2.gz XFNWPIWGPWXVHB-UHFFFAOYSA-N 1 0 286.375 1.655 20 10 CDCDRO CC(C)([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869175 731704602 /nfs/dbraw/zinc/70/46/02/731704602.db2.gz YFBOIKJKGRYUNC-UHFFFAOYSA-N 1 0 291.395 1.001 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862251558 731724447 /nfs/dbraw/zinc/72/44/47/731724447.db2.gz HGJPNNNCQWCAPX-SNVBAGLBSA-N 1 0 299.365 1.845 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)=O)C2)c1O ZINC000857084319 731818016 /nfs/dbraw/zinc/81/80/16/731818016.db2.gz MJYIUUSZVPZERO-ZYHUDNBSSA-N 1 0 278.352 1.672 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)c1O ZINC000090023757 731818834 /nfs/dbraw/zinc/81/88/34/731818834.db2.gz UNRWIGMZWINNFG-LLVKDONJSA-N 1 0 292.335 1.028 20 10 CDCDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000841881941 731860052 /nfs/dbraw/zinc/86/00/52/731860052.db2.gz FIJLXGSBIIMKFV-XHDPSFHLSA-N 1 0 290.411 1.850 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1OCCCO1 ZINC000922278296 731869811 /nfs/dbraw/zinc/86/98/11/731869811.db2.gz TZXSMJOENIJSKH-UHFFFAOYSA-N 1 0 292.379 1.376 20 10 CDCDRO COC[C@](C)(O)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790962692 731875030 /nfs/dbraw/zinc/87/50/30/731875030.db2.gz GWCLJYFMDGCUBX-GFCCVEGCSA-N 1 0 277.723 1.672 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCNC(=O)C1 ZINC000840912932 731882850 /nfs/dbraw/zinc/88/28/50/731882850.db2.gz ZOKQCLIPPHJZMU-UHFFFAOYSA-N 1 0 261.369 1.383 20 10 CDCDRO COc1ccc(N(C)CCN(C)C[C@@H](C)[NH3+])cc1 ZINC000846225360 731927312 /nfs/dbraw/zinc/92/73/12/731927312.db2.gz NFZXQLQVPYWZCU-GFCCVEGCSA-N 1 0 251.374 1.410 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000886672352 731980509 /nfs/dbraw/zinc/98/05/09/731980509.db2.gz MVMHAEMWTGFFPQ-AVGNSLFASA-N 1 0 295.379 1.981 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000817894699 732033182 /nfs/dbraw/zinc/03/31/82/732033182.db2.gz PZDYOFWXVMGWPG-GOEBONIOSA-N 1 0 291.439 1.918 20 10 CDCDRO CSC[C@@H](CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877052067 732068018 /nfs/dbraw/zinc/06/80/18/732068018.db2.gz RBXWHILDMIRUTJ-GFCCVEGCSA-N 1 0 255.383 1.904 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000237208640 732095937 /nfs/dbraw/zinc/09/59/37/732095937.db2.gz TZNATWWHWYHNJR-MEDUHNTESA-N 1 0 292.379 1.968 20 10 CDCDRO CCOCCOC[C@H](O)C[NH2+]Cc1cc(F)ccc1O ZINC000792194932 732124364 /nfs/dbraw/zinc/12/43/64/732124364.db2.gz BHTBEJDFGCIPJN-CYBMUJFWSA-N 1 0 287.331 1.035 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000865682557 732150183 /nfs/dbraw/zinc/15/01/83/732150183.db2.gz HPRLHAHTVZWCQL-NSHDSACASA-N 1 0 286.257 1.877 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC[C@H]2O)c2c1c(F)ccc2O ZINC000866498574 732159132 /nfs/dbraw/zinc/15/91/32/732159132.db2.gz ZWPFGXVJYKYULQ-HJQYOEGKSA-N 1 0 281.327 1.819 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC000294002749 732261482 /nfs/dbraw/zinc/26/14/82/732261482.db2.gz MIDVPHPGSGNUNK-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO COc1ccc(N2CC[NH+](CCc3c[nH]nn3)CC2)cc1 ZINC000821386390 732284116 /nfs/dbraw/zinc/28/41/16/732284116.db2.gz KQHSBTXUUDGRHP-UHFFFAOYSA-N 1 0 287.367 1.178 20 10 CDCDRO C[NH2+]CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841914649 732285197 /nfs/dbraw/zinc/28/51/97/732285197.db2.gz HZEAXXVSRHIBEH-JTQLQIEISA-N 1 0 281.356 1.371 20 10 CDCDRO CCOCCOCC[N@H+](C)Cc1c(O)cccc1OC ZINC000787422632 732371024 /nfs/dbraw/zinc/37/10/24/732371024.db2.gz HUGKWUBZZFJGQA-UHFFFAOYSA-N 1 0 283.368 1.886 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000128018743 732455465 /nfs/dbraw/zinc/45/54/65/732455465.db2.gz JXZQAABVQLGPBK-UHFFFAOYSA-N 1 0 275.396 1.888 20 10 CDCDRO Oc1c(C[NH2+]CCN2CC[C@@H](O)C2)ccc2ccccc21 ZINC000862531728 732552625 /nfs/dbraw/zinc/55/26/25/732552625.db2.gz JUAVXZIOVFGWFG-OAHLLOKOSA-N 1 0 286.375 1.702 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846476705 732553639 /nfs/dbraw/zinc/55/36/39/732553639.db2.gz OVAZWMBUXPUHIT-LLVKDONJSA-N 1 0 268.744 1.756 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1F ZINC000827901407 732569735 /nfs/dbraw/zinc/56/97/35/732569735.db2.gz NIZRQUPKVWIILN-ZDUSSCGKSA-N 1 0 279.359 1.506 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(O)c1 ZINC000877129339 732580584 /nfs/dbraw/zinc/58/05/84/732580584.db2.gz BTZYTCAVBHGEHR-ZFWWWQNUSA-N 1 0 292.379 1.426 20 10 CDCDRO COc1cccc(CNC(=O)NC[C@H]([NH3+])C(C)C)c1O ZINC000841944748 732594785 /nfs/dbraw/zinc/59/47/85/732594785.db2.gz QCGWACCWDOQVRF-NSHDSACASA-N 1 0 281.356 1.183 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827725941 732612367 /nfs/dbraw/zinc/61/23/67/732612367.db2.gz QOXAOWJAYPRSJL-DFBGVHRSSA-N 1 0 289.379 1.048 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000858325488 732623308 /nfs/dbraw/zinc/62/33/08/732623308.db2.gz ZEPVTZSIUCVMBZ-SNVBAGLBSA-N 1 0 283.347 1.390 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN(C)C)c1 ZINC000717354930 732626751 /nfs/dbraw/zinc/62/67/51/732626751.db2.gz RNCIQEAZWWPKFZ-RYUDHWBXSA-N 1 0 252.358 1.274 20 10 CDCDRO COc1cccc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000839176102 732725132 /nfs/dbraw/zinc/72/51/32/732725132.db2.gz FZDFNXOINHWBTR-UHFFFAOYSA-N 1 0 283.393 1.749 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC000802660708 732816081 /nfs/dbraw/zinc/81/60/81/732816081.db2.gz UKJCXVOTRZBIDS-CQSZACIVSA-N 1 0 269.316 1.697 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000866458113 732838818 /nfs/dbraw/zinc/83/88/18/732838818.db2.gz YRJAGZFDJSTVNL-NSHDSACASA-N 1 0 286.397 1.291 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC000848909168 732863599 /nfs/dbraw/zinc/86/35/99/732863599.db2.gz MKZIMNOUJUONPD-AWEZNQCLSA-N 1 0 253.317 1.861 20 10 CDCDRO NC(=O)CC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000054543460 732915990 /nfs/dbraw/zinc/91/59/90/732915990.db2.gz SNLSDKATMDVLRC-UHFFFAOYSA-N 1 0 292.335 1.208 20 10 CDCDRO CCN(CCC[NH+](C)C)C(=O)Cc1ccc(N)cc1 ZINC000230695365 732981699 /nfs/dbraw/zinc/98/16/99/732981699.db2.gz ALROUKOQJDWOKB-UHFFFAOYSA-N 1 0 263.385 1.612 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000775686353 732991951 /nfs/dbraw/zinc/99/19/51/732991951.db2.gz IHXHJTYVLDTXHA-LBPRGKRZSA-N 1 0 294.395 1.935 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666213 733028587 /nfs/dbraw/zinc/02/85/87/733028587.db2.gz BVLMDAAUXHLRDG-VHSXEESVSA-N 1 0 266.341 1.434 20 10 CDCDRO COC[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H](C)O1 ZINC000877464204 733043260 /nfs/dbraw/zinc/04/32/60/733043260.db2.gz LYOBLOYMNFZPPT-TZMCWYRMSA-N 1 0 265.353 1.936 20 10 CDCDRO C[C@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877121661 733082157 /nfs/dbraw/zinc/08/21/57/733082157.db2.gz YNULYTKBILBGFP-KRWDZBQOSA-N 1 0 290.407 1.916 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CN1CCOCC1 ZINC000840929303 733121333 /nfs/dbraw/zinc/12/13/33/733121333.db2.gz BRAPIGCWHQSAHJ-OAHLLOKOSA-N 1 0 291.439 1.871 20 10 CDCDRO CC(=O)NCCN(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000308176687 733164876 /nfs/dbraw/zinc/16/48/76/733164876.db2.gz FOLHRSYAPKTFTQ-UHFFFAOYSA-N 1 0 282.315 1.302 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000824583998 733166408 /nfs/dbraw/zinc/16/64/08/733166408.db2.gz UQZMSVYFTTVUKT-ZDUSSCGKSA-N 1 0 294.395 1.337 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1ccc2c(c1)CCCN2C ZINC000871604209 1165318863 /nfs/dbraw/zinc/31/88/63/1165318863.db2.gz XVPDSUPMTLPMCE-UHFFFAOYSA-N 1 0 290.411 1.672 20 10 CDCDRO COC(=O)[C@@H](C)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000035133358 1165743399 /nfs/dbraw/zinc/74/33/99/1165743399.db2.gz SXOGMKWYFYBOQV-ZDUSSCGKSA-N 1 0 292.379 1.626 20 10 CDCDRO CCOc1ccc(N2CCN(CC[NH+](C)C)CC2)cc1 ZINC001208130351 894059244 /nfs/dbraw/zinc/05/92/44/894059244.db2.gz XKFDEGOLCSHWRE-UHFFFAOYSA-N 1 0 277.412 1.769 20 10 CDCDRO Cc1cc(Nc2ccc(C(N)=O)cc2O)cc(C)[nH+]1 ZINC001176059151 913941706 /nfs/dbraw/zinc/94/17/06/913941706.db2.gz BHPAKWNUGAILRA-UHFFFAOYSA-N 1 0 257.293 1.668 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC001140181525 895207000 /nfs/dbraw/zinc/20/70/00/895207000.db2.gz WATRDDZVUSNHQO-LBPRGKRZSA-N 1 0 262.353 1.706 20 10 CDCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461371 896164613 /nfs/dbraw/zinc/16/46/13/896164613.db2.gz JQDJLYBAMHYXQJ-SNVBAGLBSA-N 1 0 268.744 1.743 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001140741668 898157244 /nfs/dbraw/zinc/15/72/44/898157244.db2.gz ACQCFFQGXBZMMR-ZYHUDNBSSA-N 1 0 269.316 1.559 20 10 CDCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(O)c1O ZINC000311783809 899911568 /nfs/dbraw/zinc/91/15/68/899911568.db2.gz XLLHXAYPVHIARP-JTQLQIEISA-N 1 0 266.341 1.556 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001236174581 914736625 /nfs/dbraw/zinc/73/66/25/914736625.db2.gz XAGFGRAXEMIVSS-JTQLQIEISA-N 1 0 260.259 1.944 20 10 CDCDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001270033031 904294139 /nfs/dbraw/zinc/29/41/39/904294139.db2.gz VQTMKPLJHFAHJZ-INIZCTEOSA-N 1 0 290.363 1.656 20 10 CDCDRO C[N@H+](CCO)Cc1ccc(OCC(F)(F)F)cc1O ZINC001236256088 914825952 /nfs/dbraw/zinc/82/59/52/914825952.db2.gz MORZMVAXJWAYMQ-UHFFFAOYSA-N 1 0 279.258 1.757 20 10 CDCDRO Oc1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236286142 914859196 /nfs/dbraw/zinc/85/91/96/914859196.db2.gz LCSSOTAIVVECLV-LDYMZIIASA-N 1 0 283.169 1.558 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCOCCO)c1 ZINC000186513913 921306347 /nfs/dbraw/zinc/30/63/47/921306347.db2.gz IWWYIGVRRNACIO-GFCCVEGCSA-N 1 0 253.342 1.750 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCC[NH3+])c1 ZINC000842000534 908852443 /nfs/dbraw/zinc/85/24/43/908852443.db2.gz WWUWQMZSRFETEY-MNOVXSKESA-N 1 0 295.383 1.888 20 10 CDCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CCN1C1CC1 ZINC001172001137 911059800 /nfs/dbraw/zinc/05/98/00/911059800.db2.gz YAMCHJHIGPVJAM-GFCCVEGCSA-N 1 0 260.337 1.635 20 10 CDCDRO CCN1CC[C@H]([N@H+](C)Cc2ccccc2O)CC1=O ZINC001172046256 911181307 /nfs/dbraw/zinc/18/13/07/911181307.db2.gz MYOJIZUENZAIRN-ZDUSSCGKSA-N 1 0 262.353 1.835 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2C[C@@H]3COC[C@H](C2)N3C)cc1 ZINC001172128377 911218073 /nfs/dbraw/zinc/21/80/73/911218073.db2.gz CSERZZXFBPDKGY-ZXFUBFMLSA-N 1 0 289.423 1.704 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001206432157 916619572 /nfs/dbraw/zinc/61/95/72/916619572.db2.gz BHMWQCSULOLMKN-STQMWFEESA-N 1 0 281.375 1.632 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000828666195 936382968 /nfs/dbraw/zinc/38/29/68/936382968.db2.gz BOVFGMVJAZILBK-MEBBXXQBSA-N 1 0 278.352 1.578 20 10 CDCDRO C[C@@]1(O)CCN(Cc2c(O)cccc2F)C[C@@H]1F ZINC001137832659 936417505 /nfs/dbraw/zinc/41/75/05/936417505.db2.gz CNPWZMAXMHYUSI-QWHCGFSZSA-N 1 0 257.280 1.826 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001203621254 919680983 /nfs/dbraw/zinc/68/09/83/919680983.db2.gz QKWFFCOJFMJHRU-FZMZJTMJSA-N 1 0 265.353 1.994 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCCO3)cc2)CC1 ZINC001139404440 936618234 /nfs/dbraw/zinc/61/82/34/936618234.db2.gz HGPSJYWTNJZOBU-UHFFFAOYSA-N 1 0 261.369 1.576 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CC(F)F ZINC000385592677 936626178 /nfs/dbraw/zinc/62/61/78/936626178.db2.gz IYQQFPJAHTWMCW-VIFPVBQESA-N 1 0 258.268 1.333 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140056148 936674360 /nfs/dbraw/zinc/67/43/60/936674360.db2.gz JPXIXNDTERYNJB-LBPRGKRZSA-N 1 0 283.299 1.295 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c1 ZINC001203669394 920714147 /nfs/dbraw/zinc/71/41/47/920714147.db2.gz AGGRAZUQIOVZRZ-JQWIXIFHSA-N 1 0 251.326 1.746 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1O ZINC001140178589 936684436 /nfs/dbraw/zinc/68/44/36/936684436.db2.gz POIKUIPKBRMKNA-ZBFHGGJFSA-N 1 0 279.380 1.574 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+](C)CCC(=O)N(C)C)c1O ZINC001140182290 936684745 /nfs/dbraw/zinc/68/47/45/936684745.db2.gz NLMRBAJEYIEHNY-UHFFFAOYSA-N 1 0 264.369 1.919 20 10 CDCDRO C[NH+]1CC2(CN(Cc3c(O)cccc3Cl)C2)C1 ZINC001140342763 936703861 /nfs/dbraw/zinc/70/38/61/936703861.db2.gz XPMOOJLNLJUOJL-UHFFFAOYSA-N 1 0 252.745 1.793 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140467276 936713002 /nfs/dbraw/zinc/71/30/02/936713002.db2.gz SXFSSPWFAVKRGZ-UHFFFAOYSA-N 1 0 256.733 1.614 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(OC)c1 ZINC001141029023 936794097 /nfs/dbraw/zinc/79/40/97/936794097.db2.gz HUIXEFPNGKVHKP-TXEJJXNPSA-N 1 0 292.379 1.403 20 10 CDCDRO CN1CCOc2cc(CN3C[C@@H]4C[C@H]3C[N@@H+]4C)ccc21 ZINC001141144591 936819661 /nfs/dbraw/zinc/81/96/61/936819661.db2.gz HPJVHXMOBUHDKI-KBPBESRZSA-N 1 0 273.380 1.404 20 10 CDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141144313 936819736 /nfs/dbraw/zinc/81/97/36/936819736.db2.gz ZDFDUQBPOCDHKC-JSGCOSHPSA-N 1 0 276.380 1.860 20 10 CDCDRO CC(C)(C)N1CCN(Cc2cc(O)ccc2O)CC1=O ZINC001141160222 936822236 /nfs/dbraw/zinc/82/22/36/936822236.db2.gz UIWKPJXVSVFKES-UHFFFAOYSA-N 1 0 278.352 1.541 20 10 CDCDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3Cl)C[C@H]2C1 ZINC001193232941 923552470 /nfs/dbraw/zinc/55/24/70/923552470.db2.gz RLFAYFUHIRXRSZ-DTORHVGOSA-N 1 0 296.754 1.385 20 10 CDCDRO [NH3+]CCN(CCO)c1ccc(C2=CCOCC2)cc1 ZINC001163832489 924294638 /nfs/dbraw/zinc/29/46/38/924294638.db2.gz QGYGSBJVINSKJI-UHFFFAOYSA-N 1 0 262.353 1.248 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCN1CCOCC1 ZINC000840928312 936968528 /nfs/dbraw/zinc/96/85/28/936968528.db2.gz OTHKMVHUDQGFFO-UHFFFAOYSA-N 1 0 291.439 1.873 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCC(O)CC1 ZINC000840950440 936969550 /nfs/dbraw/zinc/96/95/50/936969550.db2.gz KNVZTQQUJIUIOO-UHFFFAOYSA-N 1 0 291.439 1.607 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000841894827 937021184 /nfs/dbraw/zinc/02/11/84/937021184.db2.gz WSTGUCBKPIXKKI-NSHDSACASA-N 1 0 286.322 1.830 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NCC[NH2+]C2CC2)c1 ZINC000841928295 937023257 /nfs/dbraw/zinc/02/32/57/937023257.db2.gz MNXOVYHUZPBMEY-SNVBAGLBSA-N 1 0 293.367 1.513 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001168969092 927590762 /nfs/dbraw/zinc/59/07/62/927590762.db2.gz CBHOZOCXWVBMSP-KOLCDFICSA-N 1 0 296.323 1.381 20 10 CDCDRO COc1ccc(N(C)C[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000852746528 927859253 /nfs/dbraw/zinc/85/92/53/927859253.db2.gz MTHGVOAPPUQVCR-NSHDSACASA-N 1 0 270.760 1.773 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c(O)c1 ZINC000780786232 937204208 /nfs/dbraw/zinc/20/42/08/937204208.db2.gz JIOMIBGGQDTUGV-RYUDHWBXSA-N 1 0 265.353 1.994 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2O)CO1 ZINC001169351085 927953562 /nfs/dbraw/zinc/95/35/62/927953562.db2.gz MDLGUIREPKKQQE-KGLIPLIRSA-N 1 0 293.363 1.901 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1O ZINC000691439546 928635775 /nfs/dbraw/zinc/63/57/75/928635775.db2.gz ZHVPDSLWVAPNLX-NHYWBVRUSA-N 1 0 265.353 1.584 20 10 CDCDRO CCc1cccc(C[NH2+]CCCC(=O)N(C)C)c1O ZINC000691450208 928865362 /nfs/dbraw/zinc/86/53/62/928865362.db2.gz GUKGCFQLHVDPCR-UHFFFAOYSA-N 1 0 264.369 1.913 20 10 CDCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)S(C)(=O)=O ZINC000697641011 937285252 /nfs/dbraw/zinc/28/52/52/937285252.db2.gz ILXDTWLITSMISL-QMMMGPOBSA-N 1 0 277.773 1.568 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2(C(N)=O)CCCC2)cc1 ZINC000785754400 929173425 /nfs/dbraw/zinc/17/34/25/929173425.db2.gz BCBNFRJFBLJWKA-UHFFFAOYSA-N 1 0 261.369 1.640 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@]1(CO)CCOC1 ZINC000862427731 929414463 /nfs/dbraw/zinc/41/44/63/929414463.db2.gz DTHJZBDGQHSXGH-INIZCTEOSA-N 1 0 278.396 1.644 20 10 CDCDRO CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 ZINC001134871040 929946835 /nfs/dbraw/zinc/94/68/35/929946835.db2.gz CBONRJBZBZRFAA-WDEREUQCSA-N 1 0 295.383 1.605 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000883412387 930197149 /nfs/dbraw/zinc/19/71/49/930197149.db2.gz ZQKNNHJIEFERFT-GFCCVEGCSA-N 1 0 293.367 1.294 20 10 CDCDRO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816521518 930309492 /nfs/dbraw/zinc/30/94/92/930309492.db2.gz RIPZNMNXTUGWNY-CYBMUJFWSA-N 1 0 285.347 1.788 20 10 CDCDRO COc1ccccc1NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253383293 930418508 /nfs/dbraw/zinc/41/85/08/930418508.db2.gz FFCBCCUVJGSKNS-NSHDSACASA-N 1 0 252.358 1.856 20 10 CDCDRO Oc1ccccc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000134231944 930524623 /nfs/dbraw/zinc/52/46/23/930524623.db2.gz UNOQNVLLSXWOPM-CYBMUJFWSA-N 1 0 251.326 1.269 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253474443 930784770 /nfs/dbraw/zinc/78/47/70/930784770.db2.gz RNWDBKANEGZAGG-LBPRGKRZSA-N 1 0 269.341 1.363 20 10 CDCDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(N2CCCC2)cc1 ZINC001116438180 937448870 /nfs/dbraw/zinc/44/88/70/937448870.db2.gz GDTQNDCIXOVZIA-UHFFFAOYSA-N 1 0 275.396 1.983 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1O ZINC000824710522 931480750 /nfs/dbraw/zinc/48/07/50/931480750.db2.gz ZWLFAXRRSSPEGN-DOMZBBRYSA-N 1 0 295.379 1.932 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CCCNC(C)=O)cc1 ZINC000844399129 931595403 /nfs/dbraw/zinc/59/54/03/931595403.db2.gz HGYVIJRVSFVBJK-UHFFFAOYSA-N 1 0 293.411 1.589 20 10 CDCDRO C[N@H+](Cc1ccccn1)Cc1c(O)cc(O)cc1O ZINC001144499129 931858524 /nfs/dbraw/zinc/85/85/24/931858524.db2.gz AUXXHVIBZKIOAK-UHFFFAOYSA-N 1 0 260.293 1.830 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144499809 931858554 /nfs/dbraw/zinc/85/85/54/931858554.db2.gz JQZZBRONCFICAY-LDYMZIIASA-N 1 0 253.298 1.006 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H]1C ZINC001144514782 931876778 /nfs/dbraw/zinc/87/67/78/931876778.db2.gz RUFURCOBIKCLQT-KOLCDFICSA-N 1 0 295.335 1.577 20 10 CDCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514542 931876855 /nfs/dbraw/zinc/87/68/55/931876855.db2.gz KDTHZUJOAICDTQ-RKDXNWHRSA-N 1 0 253.298 1.149 20 10 CDCDRO C[N@@H+]1CCC2(CN(Cc3cc(F)c(F)cc3O)C2)C1 ZINC001275774223 932017178 /nfs/dbraw/zinc/01/71/78/932017178.db2.gz PMEHIGXFCBXTBJ-UHFFFAOYSA-N 1 0 268.307 1.808 20 10 CDCDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1cc(F)ccc1O ZINC000927079492 933043868 /nfs/dbraw/zinc/04/38/68/933043868.db2.gz FEBCAMZLTRRVFO-JQWIXIFHSA-N 1 0 269.316 1.987 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCCC(C)(C)[NH3+] ZINC001119481999 937724037 /nfs/dbraw/zinc/72/40/37/937724037.db2.gz BNYWXMHMZMKCIM-UHFFFAOYSA-N 1 0 265.357 1.661 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3ccnc(N)n3)cc2)CC1 ZINC001156658007 938402075 /nfs/dbraw/zinc/40/20/75/938402075.db2.gz QLYGXBVNWNVNOM-UHFFFAOYSA-N 1 0 298.394 1.423 20 10 CDCDRO Cc1c[nH+]c(NCCc2cc(O)c(O)cc2O)cc1N ZINC001157245052 938469118 /nfs/dbraw/zinc/46/91/18/938469118.db2.gz ICHIRIHZPKYCQG-UHFFFAOYSA-N 1 0 275.308 1.744 20 10 CDCDRO C[C@@H]1CCN(C(=O)c2ccc(O)c(O)c2Cl)C[C@@H]1[NH3+] ZINC001157820900 938551763 /nfs/dbraw/zinc/55/17/63/938551763.db2.gz FRHGMNZIBKLEIM-APPZFPTMSA-N 1 0 284.743 1.561 20 10 CDCDRO [NH3+][C@@H](CC(F)F)C(=O)N1CCc2cccc(O)c2C1 ZINC001160873401 938835063 /nfs/dbraw/zinc/83/50/63/938835063.db2.gz YMBSETKRLYZHAP-JTQLQIEISA-N 1 0 270.279 1.259 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(CO)C2)c1O ZINC001203584647 939694363 /nfs/dbraw/zinc/69/43/63/939694363.db2.gz FSPYXFCKMTYHOW-CQSZACIVSA-N 1 0 251.326 1.605 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1O ZINC001203585791 939694679 /nfs/dbraw/zinc/69/46/79/939694679.db2.gz UZPUITNESVLKFA-ABAIWWIYSA-N 1 0 265.353 1.994 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001203602410 939695915 /nfs/dbraw/zinc/69/59/15/939695915.db2.gz VKPXYWGMBILLJB-NEPJUHHUSA-N 1 0 269.316 1.696 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c1O ZINC001203614662 939696799 /nfs/dbraw/zinc/69/67/99/939696799.db2.gz DKJFIJZYGMRNGW-AWEZNQCLSA-N 1 0 292.379 1.844 20 10 CDCDRO COc1ccc(C[NH+]2CC3(CSC3)C2)c(O)c1 ZINC001203634460 939698838 /nfs/dbraw/zinc/69/88/38/939698838.db2.gz HCEDPSQONJQGLT-UHFFFAOYSA-N 1 0 251.351 1.950 20 10 CDCDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203878726 939711035 /nfs/dbraw/zinc/71/10/35/939711035.db2.gz KQKNILAEPAEHBA-GFCCVEGCSA-N 1 0 250.342 1.624 20 10 CDCDRO O=C1OCCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204281054 939752359 /nfs/dbraw/zinc/75/23/59/939752359.db2.gz ORZSNUZUNGBTEJ-UHFFFAOYSA-N 1 0 277.320 1.627 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc(O)c1O ZINC001204341895 939756917 /nfs/dbraw/zinc/75/69/17/939756917.db2.gz IEBAICRGJYHZEJ-HNNXBMFYSA-N 1 0 279.336 1.719 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)cc(O)c1O ZINC001204341838 939756923 /nfs/dbraw/zinc/75/69/23/939756923.db2.gz HBXQTDZJXJAZBI-WDEREUQCSA-N 1 0 285.315 1.401 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)cc(O)c1O ZINC001204344623 939758522 /nfs/dbraw/zinc/75/85/22/939758522.db2.gz WDZYKVCQVMOYDH-ONGXEEELSA-N 1 0 267.325 1.309 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[C@](C)([NH3+])C1 ZINC001204792130 939791456 /nfs/dbraw/zinc/79/14/56/939791456.db2.gz SUGIXEYWRZKIMH-HNNXBMFYSA-N 1 0 263.385 1.684 20 10 CDCDRO COc1cc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c(O)cc1O ZINC001205827959 939941389 /nfs/dbraw/zinc/94/13/89/939941389.db2.gz IIGYWEAZBJYJCT-JQWIXIFHSA-N 1 0 280.368 1.666 20 10 CDCDRO [NH3+][C@H]1CN(Cc2cc(F)c(F)cc2O)CC(F)(F)C1 ZINC001206130849 939984576 /nfs/dbraw/zinc/98/45/76/939984576.db2.gz CAIVRRAZLPRVMI-MRVPVSSYSA-N 1 0 278.249 1.839 20 10 CDCDRO COCC[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001209215417 940450052 /nfs/dbraw/zinc/45/00/52/940450052.db2.gz MYCSUJCPYOUSLP-UHFFFAOYSA-N 1 0 264.369 1.772 20 10 CDCDRO C[C@H]1CC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C[NH2+]1 ZINC001218407833 941213607 /nfs/dbraw/zinc/21/36/07/941213607.db2.gz NPUMAJNZRKZZDH-DTWKUNHWSA-N 1 0 275.308 1.560 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)cc1OC ZINC001276788841 941230500 /nfs/dbraw/zinc/23/05/00/941230500.db2.gz AEQOOGKOQOHXOH-STQMWFEESA-N 1 0 292.379 1.688 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCN(c3ccc4c(c3)OCCO4)[C@@H]2C1 ZINC001277014882 941815816 /nfs/dbraw/zinc/81/58/16/941815816.db2.gz XCTSBBCDKBYECD-WCQYABFASA-N 1 0 260.337 1.598 20 10 CDCDRO C[N@@H+]1CCC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)CC1 ZINC001226463828 942009452 /nfs/dbraw/zinc/00/94/52/942009452.db2.gz CHVHKMLTENSCJN-SSDOTTSWSA-N 1 0 285.296 1.078 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001231588798 942937878 /nfs/dbraw/zinc/93/78/78/942937878.db2.gz UHNOOERQWLUOBU-SUMWQHHRSA-N 1 0 287.359 1.721 20 10 CDCDRO CC(=O)N1CC[N@@H+](Cc2cccc(C)c2O)C[C@H]1C ZINC001231595413 942938043 /nfs/dbraw/zinc/93/80/43/942938043.db2.gz ZONXUMBZDSUBLD-GFCCVEGCSA-N 1 0 262.353 1.753 20 10 CDCDRO Cc1cccc(C[NH+]2CCC3(CNC(=O)N3)CC2)c1O ZINC001231594738 942938421 /nfs/dbraw/zinc/93/84/21/942938421.db2.gz OFMVANKWTKSJQY-UHFFFAOYSA-N 1 0 275.352 1.348 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c1O ZINC001231591283 942938455 /nfs/dbraw/zinc/93/84/55/942938455.db2.gz 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943027301 /nfs/dbraw/zinc/02/73/01/943027301.db2.gz KKMZXGVGBFAZJC-JSGCOSHPSA-N 1 0 274.364 1.577 20 10 CDCDRO Cc1cc(O)c(CN2CC[NH+](CCCO)CC2)cc1Cl ZINC001231868206 943036767 /nfs/dbraw/zinc/03/67/67/943036767.db2.gz RFEAPYZLPLRLDE-UHFFFAOYSA-N 1 0 298.814 1.854 20 10 CDCDRO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232833520 943410741 /nfs/dbraw/zinc/41/07/41/943410741.db2.gz ALSLJUWQRWAIOF-HNNXBMFYSA-N 1 0 296.342 1.545 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(O)c1 ZINC001232840158 943415498 /nfs/dbraw/zinc/41/54/98/943415498.db2.gz NHJNSMNCXBECGN-SWLSCSKDSA-N 1 0 275.396 1.594 20 10 CDCDRO Oc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc(O)c1O ZINC001233012131 943462380 /nfs/dbraw/zinc/46/23/80/943462380.db2.gz IRYGXPVDQYAJST-GFCCVEGCSA-N 1 0 278.352 1.474 20 10 CDCDRO CC(=O)[C@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016515 943464600 /nfs/dbraw/zinc/46/46/00/943464600.db2.gz GEPQRZCKXSRUTC-NSHDSACASA-N 1 0 265.309 1.604 20 10 CDCDRO 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LCAZDNDIIMLTRJ-RDJZCZTQSA-N 1 0 299.370 1.844 20 10 CDCDRO C[NH+](C)CC1(C(=O)NCc2cccc(O)c2O)CC1 ZINC001263894409 944022970 /nfs/dbraw/zinc/02/29/70/944022970.db2.gz FSYLXCYBWNGNAX-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001235676911 944244508 /nfs/dbraw/zinc/24/45/08/944244508.db2.gz WVVAGMNLUMFDLR-ZFWWWQNUSA-N 1 0 293.407 1.865 20 10 CDCDRO OC1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236293533 944452597 /nfs/dbraw/zinc/45/25/97/944452597.db2.gz YQWKMFLRUGAUOU-PBHICJAKSA-N 1 0 287.407 1.051 20 10 CDCDRO COc1cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(O)c(OC)c1 ZINC001236578551 944514481 /nfs/dbraw/zinc/51/44/81/944514481.db2.gz HLWYCUZNSPNEDT-GHMZBOCLSA-N 1 0 280.368 1.592 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001236784632 944565853 /nfs/dbraw/zinc/56/58/53/944565853.db2.gz XLCFOVOEZNGZDJ-UKRRQHHQSA-N 1 0 265.353 1.130 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCCO[C@H](C(=O)OC)C2)c(O)c1 ZINC001236788453 944567915 /nfs/dbraw/zinc/56/79/15/944567915.db2.gz NOVGKRANIOTHIM-HNNXBMFYSA-N 1 0 293.363 1.719 20 10 CDCDRO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001236812838 944578697 /nfs/dbraw/zinc/57/86/97/944578697.db2.gz FMJUIOPRODBDQL-CYBMUJFWSA-N 1 0 276.380 1.989 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C[C@H]1O ZINC001236827953 944585270 /nfs/dbraw/zinc/58/52/70/944585270.db2.gz XJPDDXPIKGGVHU-WMLDXEAASA-N 1 0 287.359 1.721 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CCCNC(=O)C2)c(O)c1 ZINC001237046643 944645734 /nfs/dbraw/zinc/64/57/34/944645734.db2.gz UQXKPLZLFCSSDQ-UHFFFAOYSA-N 1 0 262.353 1.838 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001237485445 944810962 /nfs/dbraw/zinc/81/09/62/944810962.db2.gz PDQPXXMRJPPWQN-VXGBXAGGSA-N 1 0 253.317 1.853 20 10 CDCDRO COc1cc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237677720 944920169 /nfs/dbraw/zinc/92/01/69/944920169.db2.gz HNNPSZSARJOICP-TXEJJXNPSA-N 1 0 294.395 1.934 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC001238055783 945042345 /nfs/dbraw/zinc/04/23/45/945042345.db2.gz DLZPNVLHOBEQAJ-NSHDSACASA-N 1 0 252.289 1.289 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1O ZINC001238060886 945046562 /nfs/dbraw/zinc/04/65/62/945046562.db2.gz JGHRCMZYAPBHDS-CQSZACIVSA-N 1 0 295.354 1.956 20 10 CDCDRO Cn1c(=O)ccc2ccc(-c3cnn(C4C[NH2+]C4)c3)cc21 ZINC001241620468 946396463 /nfs/dbraw/zinc/39/64/63/946396463.db2.gz NJKGSWVNEIYSOC-UHFFFAOYSA-N 1 0 280.331 1.546 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCCN(C)CC2)c(O)c1 ZINC001249171336 949434763 /nfs/dbraw/zinc/43/47/63/949434763.db2.gz BBWSQIWKIIVOGD-UHFFFAOYSA-N 1 0 292.379 1.245 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001249177656 949438976 /nfs/dbraw/zinc/43/89/76/949438976.db2.gz HWNUJGOFZRAWCY-MELADBBJSA-N 1 0 293.338 1.898 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC001249217018 949459474 /nfs/dbraw/zinc/45/94/74/949459474.db2.gz KOJDBAXIUDBWKR-UHFFFAOYSA-N 1 0 285.290 1.805 20 10 CDCDRO CCC[C@@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001252799293 951646272 /nfs/dbraw/zinc/64/62/72/951646272.db2.gz PEXWJTVTNJIBQB-SNVBAGLBSA-N 1 0 255.314 1.097 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CNCc1ccc(N(C)C)cc1 ZINC001253209530 951808991 /nfs/dbraw/zinc/80/89/91/951808991.db2.gz GDIFGVOZAWIGIR-INIZCTEOSA-N 1 0 279.428 1.545 20 10 CDCDRO C[C@@H]1CC[N@H+](CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001325051481 953700825 /nfs/dbraw/zinc/70/08/25/953700825.db2.gz SAQNCTNTHINSFQ-KTLBGCOUSA-N 1 0 290.363 1.569 20 10 CDCDRO CC(C)C[NH2+]CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001326409518 954365883 /nfs/dbraw/zinc/36/58/83/954365883.db2.gz ZHUBQQFHOLULDI-UHFFFAOYSA-N 1 0 281.375 1.754 20 10 CDCDRO COCC[N@H+](CCO)Cc1cc(F)c(F)cc1[O-] ZINC001308591781 956551520 /nfs/dbraw/zinc/55/15/20/956551520.db2.gz MNAXJDZOOFKRDS-UHFFFAOYSA-N 1 0 261.268 1.111 20 10 CDCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC001308822508 956584946 /nfs/dbraw/zinc/58/49/46/956584946.db2.gz HGRWULKFMUQSSN-GOEBONIOSA-N 1 0 279.380 1.691 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[C@@H]2CCC(=O)N2)c1 ZINC001308869321 956593727 /nfs/dbraw/zinc/59/37/27/956593727.db2.gz ORSQZCLJMVHJGL-YPMHNXCESA-N 1 0 262.353 1.847 20 10 CDCDRO C[N@@H+]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1(C)C ZINC001331036995 956779023 /nfs/dbraw/zinc/77/90/23/956779023.db2.gz QTFYRGHOFVPMLX-CQSZACIVSA-N 1 0 292.379 1.344 20 10 CDCDRO COc1cccc(CNC(=O)C[NH2+]C(C)(C)C)c1O ZINC001319341216 958507154 /nfs/dbraw/zinc/50/71/54/958507154.db2.gz LNKFHAVWDZSIAU-UHFFFAOYSA-N 1 0 266.341 1.405 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001335736744 959998496 /nfs/dbraw/zinc/99/84/96/959998496.db2.gz HRKORDGHSDIPFU-OCCSQVGLSA-N 1 0 274.368 1.162 20 10 CDCDRO C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)[C@@H]1CC[NH3+] ZINC001337019795 960858435 /nfs/dbraw/zinc/85/84/35/960858435.db2.gz VLLWGNHPZNVLRM-SWLSCSKDSA-N 1 0 290.411 1.928 20 10 CDCDRO C[C@@H]([NH2+]CCCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC001348852370 966207053 /nfs/dbraw/zinc/20/70/53/966207053.db2.gz LCSDJKWFYOLGRJ-SECBINFHSA-N 1 0 253.302 1.690 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)c1O ZINC000848886868 969337334 /nfs/dbraw/zinc/33/73/34/969337334.db2.gz XFJIRYBYMFLXQD-AWEZNQCLSA-N 1 0 276.380 1.911 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)c1O ZINC000848888949 969339389 /nfs/dbraw/zinc/33/93/89/969339389.db2.gz DSFYZCIUNFBUBB-CYBMUJFWSA-N 1 0 298.408 1.078 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc21 ZINC001521461852 970299776 /nfs/dbraw/zinc/29/97/76/970299776.db2.gz BAVODEJKJCXINA-ARFHVFGLSA-N 1 0 299.418 1.826 20 10 CDCDRO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCc4ccncc43)c21 ZINC000592565881 342706881 /nfs/dbraw/zinc/70/68/81/342706881.db2.gz APTLRYVEBPQBPZ-LBPRGKRZSA-N 1 0 297.362 1.317 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C)CC2(C)C)c1O ZINC000093457379 342235702 /nfs/dbraw/zinc/23/57/02/342235702.db2.gz XWFUEDWNXZTLKF-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000090885057 342397875 /nfs/dbraw/zinc/39/78/75/342397875.db2.gz OIXYNOPLEQCYEQ-BLLLJJGKSA-N 1 0 288.395 1.870 20 10 CDCDRO COc1cccc(C[NH2+]CCc2cnn(C)c2)c1O ZINC000112017355 365853956 /nfs/dbraw/zinc/85/39/56/365853956.db2.gz WWSHODAIBYSEPS-UHFFFAOYSA-N 1 0 261.325 1.467 20 10 CDCDRO CCCOc1ccc(C[NH2+]CC(=O)NC2CC2)c(O)c1 ZINC000263669746 362940577 /nfs/dbraw/zinc/94/05/77/362940577.db2.gz JQIVJZXOLWAZJG-UHFFFAOYSA-N 1 0 278.352 1.549 20 10 CDCDRO CC[C@H]([NH2+]CCS(C)(=O)=O)c1ccccc1O ZINC000037740457 356921920 /nfs/dbraw/zinc/92/19/20/356921920.db2.gz NUWYVWYBPPOXDL-NSHDSACASA-N 1 0 257.355 1.478 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(C)(=O)=O)c1 ZINC000037740748 356923017 /nfs/dbraw/zinc/92/30/17/356923017.db2.gz QODOSBACWKCNGA-SNVBAGLBSA-N 1 0 257.355 1.396 20 10 CDCDRO Cc1cccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1O ZINC000180578645 357276100 /nfs/dbraw/zinc/27/61/00/357276100.db2.gz TTWKKMVDVDXQRG-OAHLLOKOSA-N 1 0 290.407 1.855 20 10 CDCDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000189851088 358042879 /nfs/dbraw/zinc/04/28/79/358042879.db2.gz ZOCUBDWNBNOYRX-AWEZNQCLSA-N 1 0 277.412 1.251 20 10 CDCDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)ccc1N(C)C ZINC000293577285 370695906 /nfs/dbraw/zinc/69/59/06/370695906.db2.gz SYDNLCUCDIUKRR-OAHLLOKOSA-N 1 0 275.396 1.901 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(O)c1O ZINC000267602383 363855466 /nfs/dbraw/zinc/85/54/66/363855466.db2.gz PPOCOMXEMADVGT-JTQLQIEISA-N 1 0 264.325 1.088 20 10 CDCDRO C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1ccccc1O ZINC000269632238 364274327 /nfs/dbraw/zinc/27/43/27/364274327.db2.gz MCCAELYGLPFUNJ-VIFPVBQESA-N 1 0 290.285 1.891 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000181291384 365025167 /nfs/dbraw/zinc/02/51/67/365025167.db2.gz ZVYYILCCPSTUNO-GFCCVEGCSA-N 1 0 275.396 1.929 20 10 CDCDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c(F)ccc(O)c3O)C2)C1 ZINC000295396758 371255053 /nfs/dbraw/zinc/25/50/53/371255053.db2.gz RZHRXJSBGNBGIE-HNNXBMFYSA-N 1 0 294.326 1.405 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297933714 372038314 /nfs/dbraw/zinc/03/83/14/372038314.db2.gz XTNNISBDQUVVSW-ZIAGYGMSSA-N 1 0 276.380 1.690 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000245548007 376087406 /nfs/dbraw/zinc/08/74/06/376087406.db2.gz XHECXMPCNYBDRB-ZDUSSCGKSA-N 1 0 292.379 1.689 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000245594537 376106905 /nfs/dbraw/zinc/10/69/05/376106905.db2.gz IAOCGWJPJLYFRL-HUUCEWRRSA-N 1 0 263.337 1.772 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(C)cc1O ZINC000295994399 378706583 /nfs/dbraw/zinc/70/65/83/378706583.db2.gz PVUAAFKAZJJYQO-OUCADQQQSA-N 1 0 251.326 1.501 20 10 CDCDRO COC(=O)C(C)(C)NCc1cc(OC)ccc1O ZINC000037085101 390412837 /nfs/dbraw/zinc/41/28/37/390412837.db2.gz HYCKCFGOPWLWKR-UHFFFAOYSA-N 1 0 253.298 1.442 20 10 CDCDRO O=C(C1CC1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000119099726 390840704 /nfs/dbraw/zinc/84/07/04/390840704.db2.gz OYSRIKLTQKDJSA-UHFFFAOYSA-N 1 0 274.364 1.837 20 10 CDCDRO COc1cccc(CN2CCNC(=O)[C@@H]2C(C)C)c1O ZINC000093055239 390899367 /nfs/dbraw/zinc/89/93/67/390899367.db2.gz PTDWACWOOKWEGD-ZDUSSCGKSA-N 1 0 278.352 1.357 20 10 CDCDRO CC[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[NH+](C)C ZINC000122780490 390906809 /nfs/dbraw/zinc/90/68/09/390906809.db2.gz DGHXBTNMUPXUOE-NSHDSACASA-N 1 0 266.341 1.097 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](CO)SC)c1O ZINC000152486836 392385133 /nfs/dbraw/zinc/38/51/33/392385133.db2.gz AIPRDVJCJDGSGZ-GWCFXTLKSA-N 1 0 285.409 1.993 20 10 CDCDRO COc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000004681759 169998108 /nfs/dbraw/zinc/99/81/08/169998108.db2.gz BZLPAZJARVLHLU-UHFFFAOYSA-N 1 0 264.325 1.098 20 10 CDCDRO COCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000154188684 261088359 /nfs/dbraw/zinc/08/83/59/261088359.db2.gz VWZAPJYXDGKYST-UHFFFAOYSA-N 1 0 264.369 1.601 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000186475278 262094463 /nfs/dbraw/zinc/09/44/63/262094463.db2.gz JTCGLAMBAIVJHQ-GFCCVEGCSA-N 1 0 294.351 1.721 20 10 CDCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186806702 262110674 /nfs/dbraw/zinc/11/06/74/262110674.db2.gz ZBMQOGNLMHEKQD-LLVKDONJSA-N 1 0 250.342 1.830 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186202673 262312398 /nfs/dbraw/zinc/31/23/98/262312398.db2.gz XCCADAVDHANGON-WDEREUQCSA-N 1 0 269.341 1.449 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1OC ZINC000272529800 263005893 /nfs/dbraw/zinc/00/58/93/263005893.db2.gz AYRYDNFYMLKIOJ-CFVMTHIKSA-N 1 0 281.352 1.683 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](n3cncn3)C1)OCO2 ZINC000368799469 267206232 /nfs/dbraw/zinc/20/62/32/267206232.db2.gz ITGIIUUCVCXPSA-LLVKDONJSA-N 1 0 288.307 1.159 20 10 CDCDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282952319 276001363 /nfs/dbraw/zinc/00/13/63/276001363.db2.gz HIKMFQYNMZKESF-CYBMUJFWSA-N 1 0 290.363 1.670 20 10 CDCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000290048440 328257716 /nfs/dbraw/zinc/25/77/16/328257716.db2.gz GHMSXKIQNLNDQX-NSHDSACASA-N 1 0 253.365 1.931 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1 ZINC000377527573 329017776 /nfs/dbraw/zinc/01/77/76/329017776.db2.gz YCEVETACDYCQPT-CYBMUJFWSA-N 1 0 261.369 1.450 20 10 CDCDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000378133042 329041097 /nfs/dbraw/zinc/04/10/97/329041097.db2.gz RFYSEANAJWDEPD-INIZCTEOSA-N 1 0 293.363 1.961 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228677071 329059398 /nfs/dbraw/zinc/05/93/98/329059398.db2.gz JPZREIBAWFBOAZ-QMMMGPOBSA-N 1 0 286.759 1.668 20 10 CDCDRO COC[C@@H](CCO)[NH2+]Cc1c(O)cccc1Cl ZINC000219128201 329147399 /nfs/dbraw/zinc/14/73/99/329147399.db2.gz GCFXAEXKEROSTA-SECBINFHSA-N 1 0 259.733 1.533 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(O)c1O ZINC000177680693 329188984 /nfs/dbraw/zinc/18/89/84/329188984.db2.gz IRWAGSLBIOACEZ-LBPRGKRZSA-N 1 0 290.363 1.717 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COCCN2)c1 ZINC000530221046 333528842 /nfs/dbraw/zinc/52/88/42/333528842.db2.gz CDJXSGGXRRAGND-GHMZBOCLSA-N 1 0 266.341 1.040 20 10 CDCDRO C[NH2+]CCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000418104336 482675697 /nfs/dbraw/zinc/67/56/97/482675697.db2.gz XWEXTNWCKDXIHG-UHFFFAOYSA-N 1 0 288.395 1.848 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000276738705 520213524 /nfs/dbraw/zinc/21/35/24/520213524.db2.gz RPFZYUYUZYSTFO-NSHDSACASA-N 1 0 281.375 1.848 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000130604806 1161212565 /nfs/dbraw/zinc/21/25/65/1161212565.db2.gz AJHLDVZQILQGCF-CYBMUJFWSA-N 1 0 295.358 1.220 20 10 CDCDRO CC(C)[C@H](O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000292536816 519823116 /nfs/dbraw/zinc/82/31/16/519823116.db2.gz GACUODZMUSWAHS-QGZVFWFLSA-N 1 0 292.423 1.972 20 10 CDCDRO CCN(CC)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000096477935 520473664 /nfs/dbraw/zinc/47/36/64/520473664.db2.gz VUWNXSFYWFJIGI-UHFFFAOYSA-N 1 0 250.342 1.692 20 10 CDCDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)COC1 ZINC000083523017 520734380 /nfs/dbraw/zinc/73/43/80/520734380.db2.gz HYKUROSANUMFRP-UHFFFAOYSA-N 1 0 276.380 1.649 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000163484160 521643678 /nfs/dbraw/zinc/64/36/78/521643678.db2.gz FUAFBOWXKLPZRV-LBPRGKRZSA-N 1 0 284.425 1.838 20 10 CDCDRO CCC[N@H+](CCN1CCNC1=O)Cc1ccccc1O ZINC000290264242 521661527 /nfs/dbraw/zinc/66/15/27/521661527.db2.gz KWNCZLZQMUUHTC-UHFFFAOYSA-N 1 0 277.368 1.629 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000237046341 522100219 /nfs/dbraw/zinc/10/02/19/522100219.db2.gz HFKGUCRECHNYPZ-CABCVRRESA-N 1 0 275.396 1.800 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000203317529 522203425 /nfs/dbraw/zinc/20/34/25/522203425.db2.gz GIFRJNQBPQJXAC-QGZVFWFLSA-N 1 0 297.402 1.939 20 10 CDCDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccn1 ZINC000127279043 524132588 /nfs/dbraw/zinc/13/25/88/524132588.db2.gz GJXZLJMZOGWLGA-CYBMUJFWSA-N 1 0 284.363 1.581 20 10 CDCDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2ccc(N)cc2)C1 ZINC000237539936 524224107 /nfs/dbraw/zinc/22/41/07/524224107.db2.gz KQANHYSAOIAMRQ-CYBMUJFWSA-N 1 0 275.396 1.659 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1O ZINC000290570331 524432604 /nfs/dbraw/zinc/43/26/04/524432604.db2.gz TVGBWIKMQLBWOX-GFCCVEGCSA-N 1 0 283.393 1.615 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280427681 524772389 /nfs/dbraw/zinc/77/23/89/524772389.db2.gz BORYMTDDPCPHBA-RWMBFGLXSA-N 1 0 295.379 1.696 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnn2C)c1 ZINC000071333076 524772651 /nfs/dbraw/zinc/77/26/51/524772651.db2.gz VFTPVXRAVVAVNZ-JTQLQIEISA-N 1 0 261.325 1.985 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000192104481 524849302 /nfs/dbraw/zinc/84/93/02/524849302.db2.gz QVRAKNGTBIMOJF-UWVGGRQHSA-N 1 0 267.348 1.491 20 10 CDCDRO COc1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1O ZINC000128082738 525947935 /nfs/dbraw/zinc/94/79/35/525947935.db2.gz GFIKYPMASIBFHZ-CYBMUJFWSA-N 1 0 280.368 1.163 20 10 CDCDRO COc1cccc(C[NH2+]CC2(O)CCCC2)c1O ZINC000096479177 526013588 /nfs/dbraw/zinc/01/35/88/526013588.db2.gz ZGJFUCVKOLJLFT-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO O=CN1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000278153667 527140717 /nfs/dbraw/zinc/14/07/17/527140717.db2.gz AJVKDWZJSRDARI-UHFFFAOYSA-N 1 0 287.407 1.997 20 10 CDCDRO CCNC(=O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000764608924 575925535 /nfs/dbraw/zinc/92/55/35/575925535.db2.gz OTZTYAXTBFEQLW-ZDUSSCGKSA-N 1 0 291.395 1.310 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000766468762 576105107 /nfs/dbraw/zinc/10/51/07/576105107.db2.gz MKLIXNWDMSFJDU-INIZCTEOSA-N 1 0 291.347 1.433 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC000768141177 576260289 /nfs/dbraw/zinc/26/02/89/576260289.db2.gz QSSLKWHGOSKRGT-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447884 576283832 /nfs/dbraw/zinc/28/38/32/576283832.db2.gz QPHTZYHWGQFEPR-CYBMUJFWSA-N 1 0 295.335 1.203 20 10 CDCDRO COc1cccc(O)c1C[N@@H+](CC(N)=O)CC(C)C ZINC000768532424 576294492 /nfs/dbraw/zinc/29/44/92/576294492.db2.gz FOYCMLOXVPCSQR-UHFFFAOYSA-N 1 0 266.341 1.344 20 10 CDCDRO CC(=O)N1CCC([N@H+](C)Cc2ccccc2O)CC1 ZINC000768872951 576315188 /nfs/dbraw/zinc/31/51/88/576315188.db2.gz MOLSAWRJLWCFRA-UHFFFAOYSA-N 1 0 262.353 1.835 20 10 CDCDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000742377144 576599235 /nfs/dbraw/zinc/59/92/35/576599235.db2.gz MYVHXZJAIPBBFY-LLVKDONJSA-N 1 0 269.341 1.542 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1cc(C)c(C)cc1O ZINC000749391891 576946390 /nfs/dbraw/zinc/94/63/90/576946390.db2.gz HNKUMZJMBBPSOL-UHFFFAOYSA-N 1 0 264.369 1.919 20 10 CDCDRO CCCC[C@@H](C[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892039968 617435031 /nfs/dbraw/zinc/43/50/31/617435031.db2.gz GDFBLDZJVWPZOS-LBPRGKRZSA-N 1 0 277.368 1.935 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1O ZINC000892092096 617476306 /nfs/dbraw/zinc/47/63/06/617476306.db2.gz INPRBNKSDBJZEV-GVXVVHGQSA-N 1 0 277.368 1.750 20 10 CDCDRO CN1CCC([N@H+](CCO)Cc2cc(Cl)ccc2O)CC1 ZINC000155507860 617533926 /nfs/dbraw/zinc/53/39/26/617533926.db2.gz QLNRSRNJGDXLHY-UHFFFAOYSA-N 1 0 298.814 1.934 20 10 CDCDRO COc1ccc(N2CC[NH+](CCC[C@H](C)O)CC2)cc1 ZINC000045619321 617593342 /nfs/dbraw/zinc/59/33/42/617593342.db2.gz UROFLIRSLJPVKP-AWEZNQCLSA-N 1 0 278.396 1.978 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)N(C)OC)c1O ZINC000862539752 620735685 /nfs/dbraw/zinc/73/56/85/620735685.db2.gz UVGIAKBHQLLCLO-JTQLQIEISA-N 1 0 266.341 1.453 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1O ZINC000892294544 617708154 /nfs/dbraw/zinc/70/81/54/617708154.db2.gz ZZYMQTAAWCSANS-SDDRHHMPSA-N 1 0 277.368 1.893 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@H](C)OC)c(O)c1OC ZINC000892806381 617774790 /nfs/dbraw/zinc/77/47/90/617774790.db2.gz FFJRBKZGQZODJV-JTQLQIEISA-N 1 0 269.341 1.924 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000893863326 618099339 /nfs/dbraw/zinc/09/93/39/618099339.db2.gz FTUZYNVOTIASNO-VIFPVBQESA-N 1 0 257.280 1.875 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)c(O)c1OC ZINC000893070372 618121998 /nfs/dbraw/zinc/12/19/98/618121998.db2.gz HTJSRYSBTOXGTA-PWSUYJOCSA-N 1 0 281.352 1.924 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c(O)c1OC ZINC000893070373 618122716 /nfs/dbraw/zinc/12/27/16/618122716.db2.gz HTJSRYSBTOXGTA-ZYHUDNBSSA-N 1 0 281.352 1.924 20 10 CDCDRO COCCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892427418 618187976 /nfs/dbraw/zinc/18/79/76/618187976.db2.gz QJLMYLJPRDYLAR-UHFFFAOYSA-N 1 0 255.314 1.536 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000894017658 618244158 /nfs/dbraw/zinc/24/41/58/618244158.db2.gz RBGAVVRDYFYRDY-GFCCVEGCSA-N 1 0 287.306 1.644 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H]1O ZINC000894094705 618382588 /nfs/dbraw/zinc/38/25/88/618382588.db2.gz LTXMJYVAZAOOJZ-DGCLKSJQSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)[C@H]2CCS(=O)(=O)C2)c1O ZINC000894458677 618897032 /nfs/dbraw/zinc/89/70/32/618897032.db2.gz VTLKVBIKTLVCEA-PWSUYJOCSA-N 1 0 299.392 1.314 20 10 CDCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000895317504 619549397 /nfs/dbraw/zinc/54/93/97/619549397.db2.gz WRMHTDCFSDEWEM-NSHDSACASA-N 1 0 252.289 1.146 20 10 CDCDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000895319925 619552693 /nfs/dbraw/zinc/55/26/93/619552693.db2.gz ZLOFMIZESSCOPA-OAHLLOKOSA-N 1 0 287.407 1.901 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2ccc(C)cc2O)C1=O ZINC000896728878 620213897 /nfs/dbraw/zinc/21/38/97/620213897.db2.gz HJCIMJYVSYYZLX-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO COC[C@@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC[NH2+]1 ZINC000841067309 621698533 /nfs/dbraw/zinc/69/85/33/621698533.db2.gz MYZFJMCJFMSQMX-AWEZNQCLSA-N 1 0 284.787 1.904 20 10 CDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000898544999 621787649 /nfs/dbraw/zinc/78/76/49/621787649.db2.gz FMLSKGYVQVYGHG-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]Cc2cn(C)cn2)c1O ZINC000903352559 625976901 /nfs/dbraw/zinc/97/69/01/625976901.db2.gz VFDBLZOPLCPEQH-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@H](C)[NH3+])cc1F ZINC000841799149 626370331 /nfs/dbraw/zinc/37/03/31/626370331.db2.gz QEDLJTGQCXAHEG-NSHDSACASA-N 1 0 296.390 1.818 20 10 CDCDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000911783726 629501040 /nfs/dbraw/zinc/50/10/40/629501040.db2.gz XXCCYFWKQRWNCD-ZDUSSCGKSA-N 1 0 263.385 1.691 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000691527923 1162655887 /nfs/dbraw/zinc/65/58/87/1162655887.db2.gz VNWYHGYFISIUNG-BTDLBPIBSA-N 1 0 255.383 1.811 20 10 CDCDRO COc1ccc(C[NH2+]C(C)(C)CC(N)=O)cc1C ZINC000227056009 1160566527 /nfs/dbraw/zinc/56/65/27/1160566527.db2.gz DLPSPEYWIYVPAD-UHFFFAOYSA-N 1 0 250.342 1.747 20 10 CDCDRO Oc1ccccc1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001609611940 1165007810 /nfs/dbraw/zinc/00/78/10/1165007810.db2.gz WTFPZDBGSQFKOC-UHFFFAOYSA-N 1 0 268.280 1.001 20 10 CDCDRO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C)cc1O ZINC000876608643 1165879070 /nfs/dbraw/zinc/87/90/70/1165879070.db2.gz CTAYKHUFEZWMKT-UHFFFAOYSA-N 1 0 280.368 1.237 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876906046 1165938593 /nfs/dbraw/zinc/93/85/93/1165938593.db2.gz OXWROFSPZORXSO-AWEZNQCLSA-N 1 0 278.396 1.508 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@H](N)C2)c(O)c1 ZINC001206655298 1167172580 /nfs/dbraw/zinc/17/25/80/1167172580.db2.gz GQTAONSTFSSYDF-GFCCVEGCSA-N 1 0 272.295 1.569 20 10 CDCDRO O=C(NCc1cccc(O)c1O)c1cccc2c1CC[NH2+]C2 ZINC001580718107 1172520680 /nfs/dbraw/zinc/52/06/80/1172520680.db2.gz BGJODRBCDPUTMN-UHFFFAOYSA-N 1 0 298.342 1.674 20 10 CDCDRO CC[NH+]1CCC(NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001003245218 735136926 /nfs/dbraw/zinc/13/69/26/735136926.db2.gz SMARBINFQADTTP-UHFFFAOYSA-N 1 0 293.367 1.313 20 10 CDCDRO C[C@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC000841956130 735190114 /nfs/dbraw/zinc/19/01/14/735190114.db2.gz WFSOBLHSAMTRDU-GXTWGEPZSA-N 1 0 290.411 1.438 20 10 CDCDRO CC[N@H+](CC(=O)NCc1cc(OC)ccc1O)C1CC1 ZINC000136026398 735556599 /nfs/dbraw/zinc/55/65/99/735556599.db2.gz WMHWPMHUMVRPFB-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1ccc(CNC(=O)CC[NH2+]CC2CC2)c(O)c1 ZINC000870931775 735385674 /nfs/dbraw/zinc/38/56/74/735385674.db2.gz MSKHKJBKMBRTCL-UHFFFAOYSA-N 1 0 278.352 1.407 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(N(C)C)cc2)CCO1 ZINC000132585962 735394788 /nfs/dbraw/zinc/39/47/88/735394788.db2.gz SPJOQADTPRTVCZ-IUODEOHRSA-N 1 0 263.385 1.301 20 10 CDCDRO CCOc1ccc(O)c(CN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000843049756 735400743 /nfs/dbraw/zinc/40/07/43/735400743.db2.gz VQOKCJUESUCNHR-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccccc1O ZINC000870988732 735410920 /nfs/dbraw/zinc/41/09/20/735410920.db2.gz XZHLJDIEGHTXTM-VXNVDRBHSA-N 1 0 258.268 1.552 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1C ZINC000841079073 735419604 /nfs/dbraw/zinc/41/96/04/735419604.db2.gz KGGRVOWZBABXKC-STQMWFEESA-N 1 0 252.333 1.799 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2([S@](C)=O)CC2)c(O)c1 ZINC000799348514 735433552 /nfs/dbraw/zinc/43/35/52/735433552.db2.gz FWZXSXKLVAFZME-IBGZPJMESA-N 1 0 283.393 1.792 20 10 CDCDRO COc1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1Cn1cccn1 ZINC000886199240 735475005 /nfs/dbraw/zinc/47/50/05/735475005.db2.gz PFTSKHUPGIKAOA-RDJZCZTQSA-N 1 0 299.374 1.819 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC000704348865 735487137 /nfs/dbraw/zinc/48/71/37/735487137.db2.gz FVPFKLNYQAYYMM-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC000211268053 735736501 /nfs/dbraw/zinc/73/65/01/735736501.db2.gz GGJRYKYPOAOKLN-CYBMUJFWSA-N 1 0 290.363 1.598 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)CCOCCO)c(O)c1 ZINC000883350384 735794742 /nfs/dbraw/zinc/79/47/42/735794742.db2.gz FBOOCVRSRRVYGL-CQSZACIVSA-N 1 0 296.411 1.292 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000793279452 735800286 /nfs/dbraw/zinc/80/02/86/735800286.db2.gz HBZBNFKYCFFCEU-UHFFFAOYSA-N 1 0 285.365 1.068 20 10 CDCDRO C[C@H]([NH2+]CCN1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000775835474 735814792 /nfs/dbraw/zinc/81/47/92/735814792.db2.gz ZOHZKQVCGFODLS-LBPRGKRZSA-N 1 0 277.368 1.855 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000846695743 735824868 /nfs/dbraw/zinc/82/48/68/735824868.db2.gz AEDBDZFAALQCJN-STQMWFEESA-N 1 0 293.411 1.573 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000386439731 735879506 /nfs/dbraw/zinc/87/95/06/735879506.db2.gz CEAHYDNEJPGHLJ-LLVKDONJSA-N 1 0 269.366 1.404 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CNCCO2)c(O)c1 ZINC000817982525 735934442 /nfs/dbraw/zinc/93/44/42/735934442.db2.gz DUHKMIMRXAONCC-CHWSQXEVSA-N 1 0 264.369 1.648 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccccc1O ZINC000879649588 733175550 /nfs/dbraw/zinc/17/55/50/733175550.db2.gz WSDMVPFIOSNVJR-VXGBXAGGSA-N 1 0 262.353 1.959 20 10 CDCDRO O=C1NCCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000840826812 733333756 /nfs/dbraw/zinc/33/37/56/733333756.db2.gz WJMULGDGIFOMGZ-NEPJUHHUSA-N 1 0 260.337 1.495 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000775108860 733380636 /nfs/dbraw/zinc/38/06/36/733380636.db2.gz OUZGPUISIMPLGS-CABZTGNLSA-N 1 0 296.323 1.512 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH+](C2CC2)C2CC2)cc1 ZINC000859623881 733442275 /nfs/dbraw/zinc/44/22/75/733442275.db2.gz FOKKAYYGYVSARD-UHFFFAOYSA-N 1 0 287.407 1.996 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000829764747 733472788 /nfs/dbraw/zinc/47/27/88/733472788.db2.gz WGKVJJBIMHMODO-NVXWUHKLSA-N 1 0 287.407 1.677 20 10 CDCDRO CC[S@@](=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840934359 733581566 /nfs/dbraw/zinc/58/15/66/733581566.db2.gz PIFUKYJBAMBVLL-GOSISDBHSA-N 1 0 268.426 1.919 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(OCCO)CC1 ZINC000876791572 733701835 /nfs/dbraw/zinc/70/18/35/733701835.db2.gz MTHBDZALCKWYGS-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C)CC2)cc1 ZINC000832267669 733705173 /nfs/dbraw/zinc/70/51/73/733705173.db2.gz YXZNZDHLYMRGRE-CYBMUJFWSA-N 1 0 261.369 1.669 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCSC2)c1O ZINC000176760274 733746946 /nfs/dbraw/zinc/74/69/46/733746946.db2.gz KEJYSNSJFKSOQU-CQSZACIVSA-N 1 0 283.393 1.749 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846073466 733760572 /nfs/dbraw/zinc/76/05/72/733760572.db2.gz VIFRVKGOYSYILM-NSHDSACASA-N 1 0 290.363 1.501 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1F ZINC000865749188 733812592 /nfs/dbraw/zinc/81/25/92/733812592.db2.gz DKVYGBZSMBGGRG-GDBMZVCRSA-N 1 0 296.386 1.911 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1OC ZINC000825315764 733830336 /nfs/dbraw/zinc/83/03/36/733830336.db2.gz GSMVMLGLMHMOJV-CMPLNLGQSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000846696297 733853430 /nfs/dbraw/zinc/85/34/30/733853430.db2.gz FDMMBDXTMQDMBA-HNNXBMFYSA-N 1 0 293.411 1.573 20 10 CDCDRO C[NH2+]C[C@H]1CCCN1Cc1cc(OC)ccc1O ZINC000133064414 733856124 /nfs/dbraw/zinc/85/61/24/733856124.db2.gz DQARJXUDBGXNCF-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO CCOc1ccc(CN2CCOC[C@]23CCOC3)c(O)c1 ZINC000799737846 733862052 /nfs/dbraw/zinc/86/20/52/733862052.db2.gz NQJKYUXESLKMAK-MRXNPFEDSA-N 1 0 293.363 1.782 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000843056798 733882159 /nfs/dbraw/zinc/88/21/59/733882159.db2.gz AFCRYVZFFSENJO-JOYOIKCWSA-N 1 0 254.305 1.079 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000841827579 733913717 /nfs/dbraw/zinc/91/37/17/733913717.db2.gz OEPRJIMPGPXWFO-CYBMUJFWSA-N 1 0 276.384 1.304 20 10 CDCDRO Nc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000832243962 734006741 /nfs/dbraw/zinc/00/67/41/734006741.db2.gz BGGWNYUJQDALJX-SECBINFHSA-N 1 0 271.324 1.321 20 10 CDCDRO C[N@H+](CCCO)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877499372 734059018 /nfs/dbraw/zinc/05/90/18/734059018.db2.gz OPFSPMBTIOGKLL-UHFFFAOYSA-N 1 0 278.396 1.462 20 10 CDCDRO CCNC(=[NH2+])NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000849039699 734059413 /nfs/dbraw/zinc/05/94/13/734059413.db2.gz NTTOSTCTPMMHEQ-UHFFFAOYSA-N 1 0 298.337 1.435 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1C ZINC000872714057 734080684 /nfs/dbraw/zinc/08/06/84/734080684.db2.gz HGICOMXSNLNVBZ-BETUJISGSA-N 1 0 288.347 1.056 20 10 CDCDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]2CCCCN12 ZINC000835072303 734094858 /nfs/dbraw/zinc/09/48/58/734094858.db2.gz FLBZHHUHDFBIOY-LSDHHAIUSA-N 1 0 286.375 1.865 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000775703783 734100469 /nfs/dbraw/zinc/10/04/69/734100469.db2.gz YFDRUIGNIQJHNF-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1c([O-])cccc1F ZINC000886550094 734107131 /nfs/dbraw/zinc/10/71/31/734107131.db2.gz SDYXORFMJUQFAA-QMTHXVAHSA-N 1 0 283.343 1.969 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]21 ZINC000815120171 734215309 /nfs/dbraw/zinc/21/53/09/734215309.db2.gz DHHQUNOVXYEQLA-FOLVSLTJSA-N 1 0 288.391 1.912 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCCOC1 ZINC000107670229 734259847 /nfs/dbraw/zinc/25/98/47/734259847.db2.gz OMTSQWLGCPSPBU-LLVKDONJSA-N 1 0 279.336 1.979 20 10 CDCDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000776812587 734262847 /nfs/dbraw/zinc/26/28/47/734262847.db2.gz LIPDTFILXYFFGE-HOCLYGCPSA-N 1 0 295.379 1.611 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000841656231 734296586 /nfs/dbraw/zinc/29/65/86/734296586.db2.gz XQUSVKJLJWECHG-CQSZACIVSA-N 1 0 290.411 1.551 20 10 CDCDRO Fc1cc(C[NH2+][C@]23C[C@H]2COC3)ccc1N1CCOCC1 ZINC000886201729 734308143 /nfs/dbraw/zinc/30/81/43/734308143.db2.gz PDRGFBGDIUBYMT-BBRMVZONSA-N 1 0 292.354 1.541 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)C[NH+](C)C)CC2)cc1 ZINC000170763404 734326658 /nfs/dbraw/zinc/32/66/58/734326658.db2.gz VJZDKVSRLACOMK-UHFFFAOYSA-N 1 0 291.395 1.342 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccn2C)cc1 ZINC000832284635 734336194 /nfs/dbraw/zinc/33/61/94/734336194.db2.gz LGDMVLGBBDMGSL-CQSZACIVSA-N 1 0 286.379 1.521 20 10 CDCDRO CN(Cc1cc2c(cc1O)OCO2)C[C@H]1CCC[N@@H+]1C ZINC000211556535 734347003 /nfs/dbraw/zinc/34/70/03/734347003.db2.gz NUWQGYRMCOXWBB-GFCCVEGCSA-N 1 0 278.352 1.647 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@]1(C)CO ZINC000827700426 734387299 /nfs/dbraw/zinc/38/72/99/734387299.db2.gz SQDMLJFXLHUSQX-ZUZCIYMTSA-N 1 0 279.336 1.571 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CC2CC2)c(O)c1 ZINC000884335655 734438855 /nfs/dbraw/zinc/43/88/55/734438855.db2.gz YWZYSLIZWLBJSI-LBPRGKRZSA-N 1 0 264.325 1.144 20 10 CDCDRO C[NH2+][C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843044820 734463411 /nfs/dbraw/zinc/46/34/11/734463411.db2.gz KFRIIOAUMKAZEZ-JTQLQIEISA-N 1 0 285.185 1.948 20 10 CDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccccc1O ZINC000884309418 734481699 /nfs/dbraw/zinc/48/16/99/734481699.db2.gz UYYAJKKPZJSDAU-LBPRGKRZSA-N 1 0 250.342 1.643 20 10 CDCDRO C[S@](=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706834340 734509199 /nfs/dbraw/zinc/50/91/99/734509199.db2.gz XOXZOHLOXBQICB-HNNXBMFYSA-N 1 0 292.198 1.623 20 10 CDCDRO COc1cccc(CN2CC[NH2+][C@H](C)[C@H]2C)c1O ZINC000379438475 734517596 /nfs/dbraw/zinc/51/75/96/734517596.db2.gz OYLMKRJSPPKESP-GHMZBOCLSA-N 1 0 250.342 1.583 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c(O)c1 ZINC000840962715 734531144 /nfs/dbraw/zinc/53/11/44/734531144.db2.gz MYNILTUHVCGEPW-UKRRQHHQSA-N 1 0 295.379 1.668 20 10 CDCDRO COc1cccc(O)c1CNC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841080754 734548266 /nfs/dbraw/zinc/54/82/66/734548266.db2.gz YQIPOFRLBUEPCQ-UWVGGRQHSA-N 1 0 254.305 1.190 20 10 CDCDRO COCC[N@H+](CCC(=O)OC)Cc1cc(C)ccc1O ZINC000093416042 734560843 /nfs/dbraw/zinc/56/08/43/734560843.db2.gz OFXXEQJUJRJADV-UHFFFAOYSA-N 1 0 281.352 1.712 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000384999775 734564138 /nfs/dbraw/zinc/56/41/38/734564138.db2.gz IXSMPHHVMVOUGD-QPUJVOFHSA-N 1 0 267.300 1.689 20 10 CDCDRO C[C@@H](C(=O)N(C)C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700809622 734576075 /nfs/dbraw/zinc/57/60/75/734576075.db2.gz RINYVPDMJYYRBP-NSHDSACASA-N 1 0 261.369 1.375 20 10 CDCDRO [NH3+]C1(C(=O)NCCCSc2nccs2)CCC1 ZINC000829528831 734675880 /nfs/dbraw/zinc/67/58/80/734675880.db2.gz ZNUVHUKSEAWSDS-UHFFFAOYSA-N 1 0 271.411 1.623 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000841653997 734690500 /nfs/dbraw/zinc/69/05/00/734690500.db2.gz LIYNATBJXSIMLP-TZMCWYRMSA-N 1 0 290.411 1.692 20 10 CDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841651916 734810715 /nfs/dbraw/zinc/81/07/15/734810715.db2.gz CFJKJTOBUJLPAY-AWEZNQCLSA-N 1 0 292.427 1.925 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CC[S@@](C)=O)CC2)cc1 ZINC000827467968 734815339 /nfs/dbraw/zinc/81/53/39/734815339.db2.gz IIGYAOKGIRREJW-HXUWFJFHSA-N 1 0 296.436 1.586 20 10 CDCDRO CC1(C)C[NH2+][C@H]1C(=O)NCCCSc1nccs1 ZINC000829528295 734834065 /nfs/dbraw/zinc/83/40/65/734834065.db2.gz OAVVNRYRLNINHI-VIFPVBQESA-N 1 0 285.438 1.740 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)O ZINC000877568226 734834499 /nfs/dbraw/zinc/83/44/99/734834499.db2.gz HXOJFPPIRMORDN-CXAGYDPISA-N 1 0 292.423 1.897 20 10 CDCDRO COCC[NH2+]CCNCc1ccc(N(C)C)cc1 ZINC000228738297 734888272 /nfs/dbraw/zinc/88/82/72/734888272.db2.gz JLORKUCGDLUOFZ-UHFFFAOYSA-N 1 0 251.374 1.078 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000817970873 734900950 /nfs/dbraw/zinc/90/09/50/734900950.db2.gz GNAFJKRNKBGUPO-NTZNESFSSA-N 1 0 292.379 1.970 20 10 CDCDRO CC(C)[C@H](C(=O)NCCc1ccc(N)cc1)[C@@H](C)[NH3+] ZINC000818545151 734921287 /nfs/dbraw/zinc/92/12/87/734921287.db2.gz MBOWFKKEASZUPG-RISCZKNCSA-N 1 0 263.385 1.547 20 10 CDCDRO COC(=O)COc1ccc(N(C)CC2CC[NH2+]CC2)cc1 ZINC000843119443 734987386 /nfs/dbraw/zinc/98/73/86/734987386.db2.gz PJFIJYCFAINTIG-UHFFFAOYSA-N 1 0 292.379 1.674 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CNC(=O)C2)cc1 ZINC000852210827 734992797 /nfs/dbraw/zinc/99/27/97/734992797.db2.gz BEZMZYRNAGFFKG-CYBMUJFWSA-N 1 0 291.395 1.199 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000710951729 735016987 /nfs/dbraw/zinc/01/69/87/735016987.db2.gz PLEAKPZPTQTLGO-GAJTVXKRSA-N 1 0 267.325 1.201 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC000792197159 735047362 /nfs/dbraw/zinc/04/73/62/735047362.db2.gz YPZXESZFFCSAED-AWEZNQCLSA-N 1 0 283.368 1.204 20 10 CDCDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]2N1 ZINC000827141161 735061421 /nfs/dbraw/zinc/06/14/21/735061421.db2.gz PQNNGGNJTLSZJH-YPMHNXCESA-N 1 0 260.337 1.493 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](C)O)cc1 ZINC000844401129 735079414 /nfs/dbraw/zinc/07/94/14/735079414.db2.gz HXAUYPBIFQIBSC-LBPRGKRZSA-N 1 0 252.358 1.444 20 10 CDCDRO COCC(COC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000388383093 735092000 /nfs/dbraw/zinc/09/20/00/735092000.db2.gz UTBUQZLFLASHAM-JTQLQIEISA-N 1 0 269.341 1.713 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNC(=O)C2)c2c1c(F)ccc2O ZINC000840833082 735094649 /nfs/dbraw/zinc/09/46/49/735094649.db2.gz JHBLVTGJTHSOPN-KKZNHRDASA-N 1 0 278.327 1.805 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000249966113 735121150 /nfs/dbraw/zinc/12/11/50/735121150.db2.gz KBDGFZSFEUCXGX-ZYHUDNBSSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000828666909 735121242 /nfs/dbraw/zinc/12/12/42/735121242.db2.gz JYPYJNTZOJHOBN-NWDGAFQWSA-N 1 0 292.379 1.968 20 10 CDCDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1N(C)C ZINC000923411286 735132957 /nfs/dbraw/zinc/13/29/57/735132957.db2.gz CABNBBKMKWIULR-GASCZTMLSA-N 1 0 259.397 1.997 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1F ZINC000841759461 735149806 /nfs/dbraw/zinc/14/98/06/735149806.db2.gz GBOSYGBAOQZHGT-GFCCVEGCSA-N 1 0 294.374 1.443 20 10 CDCDRO COc1cccc(CN2CC[NH2+][C@@H](C)[C@H]2C)c1O ZINC000379438478 735166819 /nfs/dbraw/zinc/16/68/19/735166819.db2.gz OYLMKRJSPPKESP-WDEREUQCSA-N 1 0 250.342 1.583 20 10 CDCDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000832286174 735173271 /nfs/dbraw/zinc/17/32/71/735173271.db2.gz WTSSJFVLNRNIIJ-ZDUSSCGKSA-N 1 0 288.351 1.479 20 10 CDCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@@]1(CO)CCOC1 ZINC000862426810 735175139 /nfs/dbraw/zinc/17/51/39/735175139.db2.gz PLLQWAIFJWXOFH-CYBMUJFWSA-N 1 0 271.744 1.629 20 10 CDCDRO COc1cc(O)c(C[NH2+]C2CSC2)cc1OC ZINC000877634699 735200809 /nfs/dbraw/zinc/20/08/09/735200809.db2.gz QSHXBNGLKZYLJE-UHFFFAOYSA-N 1 0 255.339 1.614 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(O)c1 ZINC000814172529 735245428 /nfs/dbraw/zinc/24/54/28/735245428.db2.gz QLWHFCTYYFAHLA-WDNDVIMCSA-N 1 0 263.337 1.461 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1([NH3+])CCCC1 ZINC000237081627 735258361 /nfs/dbraw/zinc/25/83/61/735258361.db2.gz RQRCLCFUMPHLCJ-UHFFFAOYSA-N 1 0 275.396 1.949 20 10 CDCDRO OC/C=C/C[NH2+]Cc1ccc(Br)cc1O ZINC000717532809 735272830 /nfs/dbraw/zinc/27/28/30/735272830.db2.gz QWPZWOZILAXVDJ-OWOJBTEDSA-N 1 0 272.142 1.793 20 10 CDCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000832497486 735571678 /nfs/dbraw/zinc/57/16/78/735571678.db2.gz HBYOOVNWZROXMC-DGCLKSJQSA-N 1 0 261.369 1.316 20 10 CDCDRO CCOc1ccc(CNCc2nnc(CC)[nH]2)c(O)c1 ZINC000824445488 735621733 /nfs/dbraw/zinc/62/17/33/735621733.db2.gz BCRARBPDIAQAEP-UHFFFAOYSA-N 1 0 276.340 1.761 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000232643978 735751275 /nfs/dbraw/zinc/75/12/75/735751275.db2.gz HLZZKNNYJBQAHL-VIFPVBQESA-N 1 0 254.305 1.534 20 10 CDCDRO CCN(CC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784659 735757731 /nfs/dbraw/zinc/75/77/31/735757731.db2.gz KJODMXFIFQIHKV-AWEZNQCLSA-N 1 0 278.400 1.804 20 10 CDCDRO COc1cccc(O)c1CN[C@@H](CC[NH3+])C(F)F ZINC000841074858 735826632 /nfs/dbraw/zinc/82/66/32/735826632.db2.gz RWORIXOLKJZEAL-VIFPVBQESA-N 1 0 260.284 1.473 20 10 CDCDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936065 735906600 /nfs/dbraw/zinc/90/66/00/735906600.db2.gz GCTJCQRIZVLCQG-OAHLLOKOSA-N 1 0 266.385 1.548 20 10 CDCDRO CC[NH+](CC)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841609135 736015335 /nfs/dbraw/zinc/01/53/35/736015335.db2.gz RQSVDBWNJCWJII-UHFFFAOYSA-N 1 0 278.400 1.452 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000877034482 736084387 /nfs/dbraw/zinc/08/43/87/736084387.db2.gz IOGHEGCDEDTGHP-AWEZNQCLSA-N 1 0 253.342 1.578 20 10 CDCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000884222829 736084404 /nfs/dbraw/zinc/08/44/04/736084404.db2.gz BNLGNUCANMPYCF-AWEZNQCLSA-N 1 0 279.384 1.041 20 10 CDCDRO O[C@]1(CC[NH2+]Cc2ccc3c(c2)CCO3)CCCOC1 ZINC000846108875 736319815 /nfs/dbraw/zinc/31/98/15/736319815.db2.gz FELGAMWKGDPRDN-INIZCTEOSA-N 1 0 277.364 1.643 20 10 CDCDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(C)cc1O ZINC000876880355 736328973 /nfs/dbraw/zinc/32/89/73/736328973.db2.gz TUZNYDRCWXCALI-UHFFFAOYSA-N 1 0 251.326 1.989 20 10 CDCDRO Oc1ccc(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)c(O)c1 ZINC001173741321 912773090 /nfs/dbraw/zinc/77/30/90/912773090.db2.gz WLQFBCKWHZXANJ-RYUDHWBXSA-N 1 0 289.339 1.358 20 10 CDCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173764625 912817760 /nfs/dbraw/zinc/81/77/60/912817760.db2.gz BHICFLCJIAJQNR-ZIAGYGMSSA-N 1 0 299.378 1.921 20 10 CDCDRO C[C@H]([NH3+])CN(C)Cc1c(O)cccc1Br ZINC000706847417 895832591 /nfs/dbraw/zinc/83/25/91/895832591.db2.gz ZKNPJHSLHJEOSH-QMMMGPOBSA-N 1 0 273.174 1.934 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c1O ZINC001140742789 898164253 /nfs/dbraw/zinc/16/42/53/898164253.db2.gz ZAMQPUVICUSRDK-MFKMUULPSA-N 1 0 265.353 1.999 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](F)[C@@H](O)C3)ccc21 ZINC001141141178 899783641 /nfs/dbraw/zinc/78/36/41/899783641.db2.gz VXQOTAJXWQVYJZ-JSGCOSHPSA-N 1 0 280.343 1.420 20 10 CDCDRO CN(CCC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841960819 908835359 /nfs/dbraw/zinc/83/53/59/908835359.db2.gz XOMHRRBFKXGCKH-UHFFFAOYSA-N 1 0 278.400 1.404 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)CC[C@H]1F ZINC001206185176 912127603 /nfs/dbraw/zinc/12/76/03/912127603.db2.gz LIFIPTVDHPICOX-NXEZZACHSA-N 1 0 270.304 1.065 20 10 CDCDRO Oc1ccc(C[NH+]2CCN(c3nccs3)CC2)c(O)c1 ZINC001204271740 916424475 /nfs/dbraw/zinc/42/44/75/916424475.db2.gz FBUGWSMGPAEFSH-UHFFFAOYSA-N 1 0 291.376 1.877 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)cc(O)c1O ZINC001204341844 917877674 /nfs/dbraw/zinc/87/76/74/917877674.db2.gz HCHRJGNWIIKMMP-PWSUYJOCSA-N 1 0 281.352 1.699 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCCC(=O)C3)cc2)CC1 ZINC001139409608 936618174 /nfs/dbraw/zinc/61/81/74/936618174.db2.gz NCIGTPKIWNNULW-UHFFFAOYSA-N 1 0 287.407 1.603 20 10 CDCDRO C[C@]1(O)COCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058065 936675089 /nfs/dbraw/zinc/67/50/89/936675089.db2.gz RPWLOBLAXMPUFO-CYBMUJFWSA-N 1 0 255.289 1.115 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCCO1 ZINC001140060145 936675799 /nfs/dbraw/zinc/67/57/99/936675799.db2.gz MROZWFMPGKWPNP-CYBMUJFWSA-N 1 0 283.299 1.295 20 10 CDCDRO OC[C@@H]1C[C@H](F)CN1Cc1ccc(Cl)cc1O ZINC001140461830 936712548 /nfs/dbraw/zinc/71/25/48/936712548.db2.gz URKPNXJIUKKDMA-QWRGUYRKSA-N 1 0 259.708 1.950 20 10 CDCDRO Cc1c(O)ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC001140745898 936749091 /nfs/dbraw/zinc/74/90/91/936749091.db2.gz PHRFHPZRCZFACI-CYBMUJFWSA-N 1 0 262.353 1.686 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000689578061 936771079 /nfs/dbraw/zinc/77/10/79/936771079.db2.gz XSFPQMSRILDZDV-UHFFFAOYSA-N 1 0 264.325 1.409 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c(O)c1 ZINC001140947679 936782146 /nfs/dbraw/zinc/78/21/46/936782146.db2.gz AGIHOIGTDBPZOZ-WCQYABFASA-N 1 0 253.317 1.853 20 10 CDCDRO Cc1ccc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001140951077 936783432 /nfs/dbraw/zinc/78/34/32/936783432.db2.gz XTWXJGHOFZRVGE-CQSZACIVSA-N 1 0 276.380 1.606 20 10 CDCDRO Cc1ccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC001140954797 936783768 /nfs/dbraw/zinc/78/37/68/936783768.db2.gz ZPSOJMDFVAGOIE-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H](O)C2)c(OC)c1 ZINC001141031251 936794782 /nfs/dbraw/zinc/79/47/82/936794782.db2.gz AELWHYGMRFZQPA-NSHDSACASA-N 1 0 281.352 1.756 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)c(OC)c1 ZINC001141031483 936796027 /nfs/dbraw/zinc/79/60/27/936796027.db2.gz GRDQKHIFDVPOAK-SNVBAGLBSA-N 1 0 267.325 1.366 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156760 936821403 /nfs/dbraw/zinc/82/14/03/936821403.db2.gz UEXSEKBHZNBLHC-GXFFZTMASA-N 1 0 251.326 1.691 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001141160008 936822150 /nfs/dbraw/zinc/82/21/50/936822150.db2.gz OYGQJENBXVWNKI-SMDDNHRTSA-N 1 0 262.353 1.624 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1O ZINC001141141115 936818551 /nfs/dbraw/zinc/81/85/51/936818551.db2.gz UEGDMPGCJLUVCL-IUODEOHRSA-N 1 0 276.380 1.718 20 10 CDCDRO Cn1cncc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000401763691 936887512 /nfs/dbraw/zinc/88/75/12/936887512.db2.gz JXELCBRYCYUGEU-UHFFFAOYSA-N 1 0 257.337 1.687 20 10 CDCDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2O)C1=O ZINC001273284138 925745416 /nfs/dbraw/zinc/74/54/16/925745416.db2.gz FVFKEJKRPOEKND-HNNXBMFYSA-N 1 0 278.327 1.728 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001168987236 927622059 /nfs/dbraw/zinc/62/20/59/927622059.db2.gz HRMHATOHZADLSH-KOLCDFICSA-N 1 0 266.297 1.633 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(O)cc1O ZINC001206631922 937202894 /nfs/dbraw/zinc/20/28/94/937202894.db2.gz CVXSQPBPVKDQAM-LLVKDONJSA-N 1 0 280.368 1.667 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1O ZINC000783507662 937274035 /nfs/dbraw/zinc/27/40/35/937274035.db2.gz DJLPPFWOJDRNIF-CHWSQXEVSA-N 1 0 264.369 1.764 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1O ZINC000691452485 928871699 /nfs/dbraw/zinc/87/16/99/928871699.db2.gz KEHKCAQNMJLWOD-ZDUSSCGKSA-N 1 0 283.393 1.621 20 10 CDCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CC2CC2)cc1 ZINC001153047857 937414767 /nfs/dbraw/zinc/41/47/67/937414767.db2.gz NZOFAICNRLOMMP-UHFFFAOYSA-N 1 0 289.339 1.578 20 10 CDCDRO COc1ccc(O)c([C@@H](C)N[C@@H]2CCC[NH2+]C2)c1 ZINC000817941777 930638625 /nfs/dbraw/zinc/63/86/25/930638625.db2.gz RMXOIAOOZCIGCP-GHMZBOCLSA-N 1 0 250.342 1.803 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001144500445 931859607 /nfs/dbraw/zinc/85/96/07/931859607.db2.gz UCVGBWBFJURQBX-BMIGLBTASA-N 1 0 279.336 1.804 20 10 CDCDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144520222 931871971 /nfs/dbraw/zinc/87/19/71/931871971.db2.gz MKRIKLAYNYPHLB-ITMYJUKJSA-N 1 0 293.319 1.329 20 10 CDCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514593 931877531 /nfs/dbraw/zinc/87/75/31/931877531.db2.gz LKPBNRMMBSFPIU-SNVBAGLBSA-N 1 0 265.309 1.604 20 10 CDCDRO COCCC1([NH3+])CCN(C(=O)c2cccc(O)c2O)CC1 ZINC001148223943 932672176 /nfs/dbraw/zinc/67/21/76/932672176.db2.gz ANBXWDHZXJSBRS-UHFFFAOYSA-N 1 0 294.351 1.068 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC001327460508 934452607 /nfs/dbraw/zinc/45/26/07/934452607.db2.gz NKEAPKCDZVBKSH-GFCCVEGCSA-N 1 0 278.400 1.407 20 10 CDCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1c(O)cccc1F ZINC001276354473 935042598 /nfs/dbraw/zinc/04/25/98/935042598.db2.gz VZAHZNDDATXHMZ-PHIMTYICSA-N 1 0 266.316 1.046 20 10 CDCDRO CC(C)(C)[C@H](O)C[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001253745917 936009081 /nfs/dbraw/zinc/00/90/81/936009081.db2.gz OVSSKRWMVWTFDG-CYBMUJFWSA-N 1 0 267.325 1.277 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)O)cc1 ZINC001121909330 937889241 /nfs/dbraw/zinc/88/92/41/937889241.db2.gz ODWWRPQIIVOSCJ-CQSZACIVSA-N 1 0 293.411 1.247 20 10 CDCDRO CCN(C(=O)c1cc(O)c(O)c(OC)c1)[C@H]1CCC[NH2+]C1 ZINC001161345888 938894187 /nfs/dbraw/zinc/89/41/87/938894187.db2.gz JBNGBQOTZHFLKE-NSHDSACASA-N 1 0 294.351 1.321 20 10 CDCDRO [NH3+]CCN(CCO)c1cc(F)c(OC(F)F)c(F)c1 ZINC001163836960 939339360 /nfs/dbraw/zinc/33/93/60/939339360.db2.gz NZPWZENRSZITIA-UHFFFAOYSA-N 1 0 282.237 1.324 20 10 CDCDRO CN1CC2(CC1=O)CC[NH+](Cc1ccccc1O)CC2 ZINC001203561813 939693491 /nfs/dbraw/zinc/69/34/91/939693491.db2.gz ZZGVJAMWLQVNAI-UHFFFAOYSA-N 1 0 274.364 1.837 20 10 CDCDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CO)c(O)c1 ZINC001203617377 939696491 /nfs/dbraw/zinc/69/64/91/939696491.db2.gz PDGZEUWDLIOKGM-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1ccc(CN2CC([N@H+](C)[C@H]3CCOC3)C2)c(O)c1 ZINC001203627578 939697982 /nfs/dbraw/zinc/69/79/82/939697982.db2.gz JSRSSGFSUBTLME-ZDUSSCGKSA-N 1 0 292.379 1.306 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1 ZINC001203670435 939700601 /nfs/dbraw/zinc/70/06/01/939700601.db2.gz QTJRYNYZZLFDLP-CYBMUJFWSA-N 1 0 293.363 1.517 20 10 CDCDRO COCC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203873558 939709813 /nfs/dbraw/zinc/70/98/13/939709813.db2.gz FWJUCPSIGPEOLS-UHFFFAOYSA-N 1 0 251.326 1.956 20 10 CDCDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276558 939751373 /nfs/dbraw/zinc/75/13/73/939751373.db2.gz NBZFGYWRVIISSZ-LBPRGKRZSA-N 1 0 291.269 1.845 20 10 CDCDRO O=C1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001204320185 939755443 /nfs/dbraw/zinc/75/54/43/939755443.db2.gz NWVZBXVIMUAQMQ-UHFFFAOYSA-N 1 0 273.380 1.609 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001204326380 939756131 /nfs/dbraw/zinc/75/61/31/939756131.db2.gz XQHCLLDHIAEJFK-RDJZCZTQSA-N 1 0 290.407 1.462 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)C[C@H]1C[NH3+] ZINC001205150641 939829257 /nfs/dbraw/zinc/82/92/57/939829257.db2.gz GNGKOZARMYQKMI-DTWKUNHWSA-N 1 0 256.296 1.697 20 10 CDCDRO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC001205240682 939841505 /nfs/dbraw/zinc/84/15/05/939841505.db2.gz MTZGQBHVJIMWQF-CQSZACIVSA-N 1 0 284.787 1.721 20 10 CDCDRO C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001205280862 939876953 /nfs/dbraw/zinc/87/69/53/939876953.db2.gz KNWHSHGXWAYTIN-OAHLLOKOSA-N 1 0 278.352 1.794 20 10 CDCDRO [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001206633369 940074969 /nfs/dbraw/zinc/07/49/69/940074969.db2.gz WVVLXDGOXJEPDN-LLVKDONJSA-N 1 0 278.352 1.651 20 10 CDCDRO COc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000091896207 940758456 /nfs/dbraw/zinc/75/84/56/940758456.db2.gz MQXORIJBAIDHCK-UHFFFAOYSA-N 1 0 293.363 1.782 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c1 ZINC000305767802 940896285 /nfs/dbraw/zinc/89/62/85/940896285.db2.gz FXALKLZDJMSOBO-NEPJUHHUSA-N 1 0 265.353 1.994 20 10 CDCDRO Nc1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC001524017307 970788266 /nfs/dbraw/zinc/78/82/66/970788266.db2.gz AOPDPQWVQBXSDO-UHFFFAOYSA-N 1 0 298.390 1.925 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCN(C)C2)c1O ZINC000311674678 941331487 /nfs/dbraw/zinc/33/14/87/941331487.db2.gz PXCPELGBHZJGMN-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220489612 941450493 /nfs/dbraw/zinc/45/04/93/941450493.db2.gz CGHQTNZZSMXHGG-NSHDSACASA-N 1 0 294.351 1.031 20 10 CDCDRO Cc1cccc(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c1O ZINC001231593729 942938430 /nfs/dbraw/zinc/93/84/30/942938430.db2.gz LPKNMEQYCUHLOK-AWEZNQCLSA-N 1 0 276.380 1.606 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)cc1O ZINC001231635076 942951223 /nfs/dbraw/zinc/95/12/23/942951223.db2.gz VGTXVJAMCLUOHF-QWRGUYRKSA-N 1 0 285.315 1.401 20 10 CDCDRO COc1cc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)cc1O ZINC001231638357 942953835 /nfs/dbraw/zinc/95/38/35/942953835.db2.gz YINPYECICVTFFD-UHFFFAOYSA-N 1 0 295.335 1.445 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1Cl ZINC001231868744 943036849 /nfs/dbraw/zinc/03/68/49/943036849.db2.gz XMBCTABZPVCLMU-GXFFZTMASA-N 1 0 271.744 1.139 20 10 CDCDRO C[C@]1(O)COCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259003 943192598 /nfs/dbraw/zinc/19/25/98/943192598.db2.gz GKQSDGBABMZHKP-CYBMUJFWSA-N 1 0 287.743 1.334 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@H]1O ZINC001232260488 943192966 /nfs/dbraw/zinc/19/29/66/943192966.db2.gz QWFQUNXPFMTRRJ-GZMMTYOYSA-N 1 0 271.744 1.954 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]21 ZINC001232262835 943194975 /nfs/dbraw/zinc/19/49/75/943194975.db2.gz SFZSFRFPHFHNOH-WOFXILAISA-N 1 0 297.738 1.602 20 10 CDCDRO NC(=O)[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001277657195 943250461 /nfs/dbraw/zinc/25/04/61/943250461.db2.gz NPTNUCPBLFPEOX-GFCCVEGCSA-N 1 0 276.336 1.185 20 10 CDCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232833521 943411653 /nfs/dbraw/zinc/41/16/53/943411653.db2.gz ALSLJUWQRWAIOF-OAHLLOKOSA-N 1 0 296.342 1.545 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)cc1O)C1COC1 ZINC001232838701 943415111 /nfs/dbraw/zinc/41/51/11/943415111.db2.gz CBIHKNNKTNGBDO-UHFFFAOYSA-N 1 0 250.342 1.679 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232840237 943415859 /nfs/dbraw/zinc/41/58/59/943415859.db2.gz QJWBXLAGGFPCHP-CYBMUJFWSA-N 1 0 292.379 1.843 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(CC(F)F)CC2)c(O)c1 ZINC001232841083 943417663 /nfs/dbraw/zinc/41/76/63/943417663.db2.gz RUEQASFMOCUPNO-UHFFFAOYSA-N 1 0 299.365 1.841 20 10 CDCDRO Oc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc(O)c1O ZINC001233011974 943462206 /nfs/dbraw/zinc/46/22/06/943462206.db2.gz FKDXXQZYQXMCLY-LBPRGKRZSA-N 1 0 278.352 1.474 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC001233284243 943531287 /nfs/dbraw/zinc/53/12/87/943531287.db2.gz NGFVNFXJNLCQFQ-CQSZACIVSA-N 1 0 279.380 1.883 20 10 CDCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482748 943591335 /nfs/dbraw/zinc/59/13/35/943591335.db2.gz ATUVDJXOVBLBDN-UWVGGRQHSA-N 1 0 267.325 1.396 20 10 CDCDRO CCCC[NH+]1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233485183 943592163 /nfs/dbraw/zinc/59/21/63/943592163.db2.gz MBWNLQKYAHSKQM-UHFFFAOYSA-N 1 0 280.368 1.721 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235043341 944019613 /nfs/dbraw/zinc/01/96/13/944019613.db2.gz ARMVXGDMUBEDQW-LSDHHAIUSA-N 1 0 275.396 1.697 20 10 CDCDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c(OC)c1 ZINC001235082663 944048197 /nfs/dbraw/zinc/04/81/97/944048197.db2.gz XILYQCSGWMJBDF-CHWSQXEVSA-N 1 0 278.352 1.346 20 10 CDCDRO Oc1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236286140 944445314 /nfs/dbraw/zinc/44/53/14/944445314.db2.gz LCSSOTAIVVECLV-KCJUWKMLSA-N 1 0 283.169 1.558 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(O)c1 ZINC001236793697 944571550 /nfs/dbraw/zinc/57/15/50/944571550.db2.gz DZVSFSMVEHGXNR-INIZCTEOSA-N 1 0 290.407 1.861 20 10 CDCDRO COc1cc(C)c(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)c1 ZINC001236812984 944578886 /nfs/dbraw/zinc/57/88/86/944578886.db2.gz DDPUADRFHLROTI-GFCCVEGCSA-N 1 0 262.353 1.599 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](N(C)C)C2)c(O)c1 ZINC001236818276 944582823 /nfs/dbraw/zinc/58/28/23/944582823.db2.gz KURBOIIZXHTLBU-LBPRGKRZSA-N 1 0 264.369 1.845 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237669828 944918154 /nfs/dbraw/zinc/91/81/54/944918154.db2.gz PAEBUXSLRWJMHZ-NSHDSACASA-N 1 0 281.352 1.878 20 10 CDCDRO Cn1ccc(-c2ccc(N3CC[C@@H]([NH+](C)C)C3)nc2)cc1=O ZINC001240991704 946131236 /nfs/dbraw/zinc/13/12/36/946131236.db2.gz RYXWUMMHTJIFIT-OAHLLOKOSA-N 1 0 298.390 1.588 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCc2nnc[nH]2)cc1F ZINC001261787656 946278191 /nfs/dbraw/zinc/27/81/91/946278191.db2.gz WJTGTLHAJFBRRP-UHFFFAOYSA-N 1 0 281.310 1.481 20 10 CDCDRO Oc1ccc(C[NH2+][C@@H]2CC3CCN(CC3)C2)cc1O ZINC001254847058 947624905 /nfs/dbraw/zinc/62/49/05/947624905.db2.gz CLMOETYYCUBGAE-CYBMUJFWSA-N 1 0 262.353 1.672 20 10 CDCDRO COc1ccc(N2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC001256201617 948233259 /nfs/dbraw/zinc/23/32/59/948233259.db2.gz IWRBCQULRGYJTM-UHFFFAOYSA-N 1 0 289.423 1.911 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CCC(O)CC2)c(O)c1 ZINC001249174047 949440669 /nfs/dbraw/zinc/44/06/69/949440669.db2.gz YIWYWQRCNPVPBG-UHFFFAOYSA-N 1 0 279.336 1.064 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001249173707 949444401 /nfs/dbraw/zinc/44/44/01/949444401.db2.gz VKFQXBGHWXNKKK-SMDDNHRTSA-N 1 0 293.363 1.310 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H](O)COCc2ccco2)c1O ZINC001252657652 951545847 /nfs/dbraw/zinc/54/58/47/951545847.db2.gz CTNNUAPZFSVRAL-AWEZNQCLSA-N 1 0 291.347 1.961 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H](O)COC(C)C)c1O ZINC001252699796 951598346 /nfs/dbraw/zinc/59/83/46/951598346.db2.gz PKNUJLCYTBDTRX-CYBMUJFWSA-N 1 0 253.342 1.576 20 10 CDCDRO COc1ccc(CNC[C@H](O)C[NH2+]C(C)(C)C)cc1C ZINC001253408905 951894750 /nfs/dbraw/zinc/89/47/50/951894750.db2.gz LYFPAUBNODXSSX-AWEZNQCLSA-N 1 0 280.412 1.842 20 10 CDCDRO CCCCC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253549770 951950132 /nfs/dbraw/zinc/95/01/32/951950132.db2.gz FDSVROPTMNWUFL-LBPRGKRZSA-N 1 0 283.368 1.877 20 10 CDCDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001327419250 954873841 /nfs/dbraw/zinc/87/38/41/954873841.db2.gz GYRBDHXFWIUWEL-AWEZNQCLSA-N 1 0 287.407 1.997 20 10 CDCDRO COC(=O)[C@]1(C[NH2+]Cc2ccc(OC)c(C)c2)CCOC1 ZINC001308555540 956546837 /nfs/dbraw/zinc/54/68/37/956546837.db2.gz SAYDFBCVCNWZGI-INIZCTEOSA-N 1 0 293.363 1.673 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c(O)c1 ZINC001333352702 958275907 /nfs/dbraw/zinc/27/59/07/958275907.db2.gz MRHCDCKLLATHSC-CQSZACIVSA-N 1 0 286.379 1.803 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c(O)c1 ZINC001594350339 958347501 /nfs/dbraw/zinc/34/75/01/958347501.db2.gz ZKYBRBKFOFIKEH-LBPRGKRZSA-N 1 0 292.379 1.900 20 10 CDCDRO COc1ccc(CN2CCn3cncc3C2)c(O)c1OC ZINC001336813386 960619483 /nfs/dbraw/zinc/61/94/83/960619483.db2.gz QLDIFMCWNOTJRL-UHFFFAOYSA-N 1 0 289.335 1.622 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC001336918399 960739247 /nfs/dbraw/zinc/73/92/47/960739247.db2.gz LDPGZKLJRFLQBN-CYBMUJFWSA-N 1 0 262.357 1.210 20 10 CDCDRO C[C@H](C(=O)NCc1cccc(O)c1O)[NH+]1[C@H](C)CC[C@H]1C ZINC001348048634 965800331 /nfs/dbraw/zinc/80/03/31/965800331.db2.gz VYKVYZPATFJBQY-IJLUTSLNSA-N 1 0 292.379 1.975 20 10 CDCDRO CN(C(=O)NCc1ccc(N)cc1)C1CCC([NH3+])CC1 ZINC001353539596 968056688 /nfs/dbraw/zinc/05/66/88/968056688.db2.gz NTIGLGDQLGUEMD-UHFFFAOYSA-N 1 0 276.384 1.680 20 10 CDCDRO C[C@@H]1CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C[NH2+]1 ZINC001576666343 1171483430 /nfs/dbraw/zinc/48/34/30/1171483430.db2.gz MOMBSSSLJRMVTC-KOLCDFICSA-N 1 0 297.786 1.985 20 10 CDCDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1O ZINC000066192377 348976328 /nfs/dbraw/zinc/97/63/28/348976328.db2.gz WVWWRAHRQUXKEH-GFCCVEGCSA-N 1 0 279.384 1.922 20 10 CDCDRO COCCN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179641214 357218453 /nfs/dbraw/zinc/21/84/53/357218453.db2.gz JZGTUFAZICAZFL-UHFFFAOYSA-N 1 0 264.369 1.465 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000180259646 357256598 /nfs/dbraw/zinc/25/65/98/357256598.db2.gz LHERABFFINPTAN-NWDGAFQWSA-N 1 0 285.409 1.954 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(C[C@H](C)O)CC2)c1O ZINC000189837061 358041688 /nfs/dbraw/zinc/04/16/88/358041688.db2.gz UMOMGWBZBMYPJN-ZDUSSCGKSA-N 1 0 264.369 1.199 20 10 CDCDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(O)c1O ZINC000192987509 358255357 /nfs/dbraw/zinc/25/53/57/358255357.db2.gz IOCXGUAFNDVVIZ-UHFFFAOYSA-N 1 0 290.363 1.702 20 10 CDCDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccccc1O ZINC000112466227 359325676 /nfs/dbraw/zinc/32/56/76/359325676.db2.gz AKZVZANMJAEKCB-UHFFFAOYSA-N 1 0 250.342 1.692 20 10 CDCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226610483 359703255 /nfs/dbraw/zinc/70/32/55/359703255.db2.gz ONUAIZSMICXJPS-PRHODGIISA-N 1 0 259.346 1.733 20 10 CDCDRO Nc1ccc(CCNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000238121325 361533438 /nfs/dbraw/zinc/53/34/38/361533438.db2.gz FCWYBXMFRKTETN-UHFFFAOYSA-N 1 0 275.396 1.707 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](CO)CCOC)c1O ZINC000282122576 363959498 /nfs/dbraw/zinc/95/94/98/363959498.db2.gz FQYYHRIRNRVCCQ-LBPRGKRZSA-N 1 0 269.341 1.278 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000268499908 364056890 /nfs/dbraw/zinc/05/68/90/364056890.db2.gz XBVNUUOFCHGBTM-HNNXBMFYSA-N 1 0 293.319 1.506 20 10 CDCDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@@H]2C1 ZINC000272253998 365154958 /nfs/dbraw/zinc/15/49/58/365154958.db2.gz MBZOTFRTAGPLJN-WCQYABFASA-N 1 0 290.363 1.647 20 10 CDCDRO COCC[N@H+](C)CCNC(=O)N(C)Cc1ccccc1O ZINC000171212145 365227737 /nfs/dbraw/zinc/22/77/37/365227737.db2.gz VWGJYKPUAFELQP-UHFFFAOYSA-N 1 0 295.383 1.112 20 10 CDCDRO C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[NH+](C)C ZINC000272395170 365218854 /nfs/dbraw/zinc/21/88/54/365218854.db2.gz HIOHSSKCTQPNNP-STUBTGCMSA-N 1 0 264.325 1.177 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)c(O)c1O ZINC000272782984 365394969 /nfs/dbraw/zinc/39/49/69/365394969.db2.gz VIZGVTGJUOZVPS-SNVBAGLBSA-N 1 0 264.325 1.230 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c(O)c1 ZINC000293885062 370841635 /nfs/dbraw/zinc/84/16/35/370841635.db2.gz VPQHRFMSVLOQLZ-CABCVRRESA-N 1 0 291.439 1.905 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000282058482 367715820 /nfs/dbraw/zinc/71/58/20/367715820.db2.gz BEKXYMUTWRVWFN-CYBMUJFWSA-N 1 0 253.342 1.496 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282864729 368075429 /nfs/dbraw/zinc/07/54/29/368075429.db2.gz UVUZCYJAURFEEM-NWDGAFQWSA-N 1 0 281.375 1.877 20 10 CDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282864731 368075820 /nfs/dbraw/zinc/07/58/20/368075820.db2.gz UVUZCYJAURFEEM-RYUDHWBXSA-N 1 0 281.375 1.877 20 10 CDCDRO C[C@H](CO)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284737766 368545348 /nfs/dbraw/zinc/54/53/48/368545348.db2.gz KRXGCCQZVCDDHT-CYBMUJFWSA-N 1 0 293.411 1.024 20 10 CDCDRO CCC[NH2+][C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000295022849 371118306 /nfs/dbraw/zinc/11/83/06/371118306.db2.gz CKRINUHHAIGAHH-LBPRGKRZSA-N 1 0 291.395 1.866 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCC(O)CC2)c1 ZINC000295817063 371398284 /nfs/dbraw/zinc/39/82/84/371398284.db2.gz BMUJCUNKMLWUCQ-ZDUSSCGKSA-N 1 0 278.396 1.808 20 10 CDCDRO C[NH+](C)C1(CNC(=O)c2c(F)ccc(O)c2O)CCC1 ZINC000296087484 371598847 /nfs/dbraw/zinc/59/88/47/371598847.db2.gz WISJQEZZRUUYGG-UHFFFAOYSA-N 1 0 282.315 1.451 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC000294056250 378620559 /nfs/dbraw/zinc/62/05/59/378620559.db2.gz PSXQZMSDTUUZKM-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO OCCCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000295209901 378661712 /nfs/dbraw/zinc/66/17/12/378661712.db2.gz ZXCIQUFBGKXQPG-MRXNPFEDSA-N 1 0 290.407 1.558 20 10 CDCDRO COc1cccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1O ZINC000106916193 390561491 /nfs/dbraw/zinc/56/14/91/390561491.db2.gz UJAKGFPSQVCMMU-CYBMUJFWSA-N 1 0 280.368 1.603 20 10 CDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000133040125 390901013 /nfs/dbraw/zinc/90/10/13/390901013.db2.gz CZUCFRPIEHOUKP-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)ccc1O ZINC000093771764 390904377 /nfs/dbraw/zinc/90/43/77/390904377.db2.gz WYGCTPBDNXZFKT-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000373737049 391129565 /nfs/dbraw/zinc/12/95/65/391129565.db2.gz FOQAKHQTPPZLJT-IMJJTQAJSA-N 1 0 287.407 1.838 20 10 CDCDRO CCC[N@H+](CC(=O)NCCOCC)Cc1ccccc1O ZINC000175949019 391143503 /nfs/dbraw/zinc/14/35/03/391143503.db2.gz DYPQQIGMINUNDX-UHFFFAOYSA-N 1 0 294.395 1.757 20 10 CDCDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710932 391190868 /nfs/dbraw/zinc/19/08/68/391190868.db2.gz GCQNYOUCYHUJSL-ZDUSSCGKSA-N 1 0 275.396 1.759 20 10 CDCDRO Cc1cccc(C[NH2+]CCCC(=O)NC2CC2)c1O ZINC000124708523 391223326 /nfs/dbraw/zinc/22/33/26/391223326.db2.gz UOMAOEJHFBFSBP-UHFFFAOYSA-N 1 0 262.353 1.849 20 10 CDCDRO CC1CC[NH+](CC(=O)NCc2ccccc2O)CC1 ZINC000269100160 391239012 /nfs/dbraw/zinc/23/90/12/391239012.db2.gz FYFSAFXFWSSQLF-UHFFFAOYSA-N 1 0 262.353 1.740 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000282108683 391672716 /nfs/dbraw/zinc/67/27/16/391672716.db2.gz DRXQNUZHGXOARI-ZDUSSCGKSA-N 1 0 251.326 1.109 20 10 CDCDRO CN1CCN(C)[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000297704454 392442296 /nfs/dbraw/zinc/44/22/96/392442296.db2.gz MNNHOLIODUWJDY-ZIAGYGMSSA-N 1 0 275.396 1.215 20 10 CDCDRO COc1cccc(C[NH2+]CCNC(=O)C(C)C)c1O ZINC000020125239 171008245 /nfs/dbraw/zinc/00/82/45/171008245.db2.gz LPFZHFVVYXYILH-UHFFFAOYSA-N 1 0 266.341 1.263 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1O ZINC000155547506 261103527 /nfs/dbraw/zinc/10/35/27/261103527.db2.gz QICNMKDGPXWHID-ZDUSSCGKSA-N 1 0 292.379 1.749 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1F ZINC000157120233 261140799 /nfs/dbraw/zinc/14/07/99/261140799.db2.gz HUSFYKSUIYAFHW-NSHDSACASA-N 1 0 265.332 1.199 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3CCC[NH2+]C3)ccc21 ZINC000166473042 261390195 /nfs/dbraw/zinc/39/01/95/261390195.db2.gz KEPBDDDHRILGPH-OAHLLOKOSA-N 1 0 287.407 1.685 20 10 CDCDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000178513621 261396504 /nfs/dbraw/zinc/39/65/04/261396504.db2.gz JPQUPTIZQIYLSI-LBPRGKRZSA-N 1 0 263.385 1.929 20 10 CDCDRO COC(=O)N1CC([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000186137425 262081061 /nfs/dbraw/zinc/08/10/61/262081061.db2.gz REFHJNCIYLCQRH-SECBINFHSA-N 1 0 280.324 1.502 20 10 CDCDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000184921908 262300367 /nfs/dbraw/zinc/30/03/67/262300367.db2.gz AUNKUQGKSQKAKW-NSHDSACASA-N 1 0 250.342 1.877 20 10 CDCDRO NC(=O)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000368134749 267147211 /nfs/dbraw/zinc/14/72/11/267147211.db2.gz NFRMSMLRQOBLEN-SECBINFHSA-N 1 0 268.744 1.743 20 10 CDCDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000061376766 277213599 /nfs/dbraw/zinc/21/35/99/277213599.db2.gz CVKCGCBDSOINAW-AWEZNQCLSA-N 1 0 279.428 1.981 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000185830117 327846934 /nfs/dbraw/zinc/84/69/34/327846934.db2.gz XEPNJVKASFDIDU-GRYCIOLGSA-N 1 0 263.337 1.988 20 10 CDCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000230672161 329368330 /nfs/dbraw/zinc/36/83/30/329368330.db2.gz IUCYUJBPUAZWJP-GXSJLCMTSA-N 1 0 257.305 1.843 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cn[nH]c1 ZINC000229884893 333310834 /nfs/dbraw/zinc/31/08/34/333310834.db2.gz ZBGJRXPFDLOVNX-MRVPVSSYSA-N 1 0 261.281 1.695 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000135727627 334137074 /nfs/dbraw/zinc/13/70/74/334137074.db2.gz PCZSIXCKQLYSMQ-LLVKDONJSA-N 1 0 261.369 1.423 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000252673815 334384747 /nfs/dbraw/zinc/38/47/47/334384747.db2.gz MNKSUBBOFJJVEM-GJZGRUSLSA-N 1 0 276.380 1.653 20 10 CDCDRO COCC[C@@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000291024148 521889434 /nfs/dbraw/zinc/88/94/34/521889434.db2.gz AORWYUINXRRJAH-CYBMUJFWSA-N 1 0 251.326 1.630 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000050150219 518285425 /nfs/dbraw/zinc/28/54/25/518285425.db2.gz RWIRDVNQNHDTJQ-GFCCVEGCSA-N 1 0 267.300 1.691 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)CC[NH2+]C)cc1F ZINC000285768812 520895747 /nfs/dbraw/zinc/89/57/47/520895747.db2.gz LPBFRFPPMFPEFM-UHFFFAOYSA-N 1 0 281.375 1.898 20 10 CDCDRO CC[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000050134560 521122008 /nfs/dbraw/zinc/12/20/08/521122008.db2.gz SOWOZDUSEZSGJI-UHFFFAOYSA-N 1 0 255.289 1.548 20 10 CDCDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](C)CO ZINC000292736358 521329385 /nfs/dbraw/zinc/32/93/85/521329385.db2.gz GXDVPWKJGWNMHW-SECBINFHSA-N 1 0 284.312 1.512 20 10 CDCDRO CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000274812073 522748103 /nfs/dbraw/zinc/74/81/03/522748103.db2.gz YBACIZUZYCQUQB-UONOGXRCSA-N 1 0 275.352 1.900 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070254400 523385809 /nfs/dbraw/zinc/38/58/09/523385809.db2.gz CGGBPSDMWPWCIO-CYBMUJFWSA-N 1 0 274.364 1.740 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000273371038 523874607 /nfs/dbraw/zinc/87/46/07/523874607.db2.gz CKMOZWBKFUUMPA-AAEUAGOBSA-N 1 0 282.359 1.903 20 10 CDCDRO C[C@H](CNC(=O)NCc1ccccc1O)C[NH+]1CCCC1 ZINC000299498712 524419855 /nfs/dbraw/zinc/41/98/55/524419855.db2.gz LEYYZVKBAWFPHO-CYBMUJFWSA-N 1 0 291.395 1.923 20 10 CDCDRO COc1ccc(N2CCN(CC[NH2+]CC3CC3)CC2)cc1 ZINC000057864924 524427750 /nfs/dbraw/zinc/42/77/50/524427750.db2.gz YWIPVQGALGWTJA-UHFFFAOYSA-N 1 0 289.423 1.817 20 10 CDCDRO C[C@H](CO)[N@H+](C)Cc1cc(Br)ccc1O ZINC000289444474 524539867 /nfs/dbraw/zinc/53/98/67/524539867.db2.gz MGXJSFJVRWIVFS-MRVPVSSYSA-N 1 0 274.158 1.967 20 10 CDCDRO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2=O)ccc1N(C)C ZINC000293034027 524668262 /nfs/dbraw/zinc/66/82/62/524668262.db2.gz JDKDNTABQLZRDG-HNNXBMFYSA-N 1 0 275.396 1.724 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000274915921 524892542 /nfs/dbraw/zinc/89/25/42/524892542.db2.gz JZSNTHGDRKXIFY-JQWIXIFHSA-N 1 0 278.352 1.239 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC2(N3CCOCC3)CC2)cc1C ZINC000277500246 525322012 /nfs/dbraw/zinc/32/20/12/525322012.db2.gz PBJDLXYEPQWKIW-UHFFFAOYSA-N 1 0 290.407 1.963 20 10 CDCDRO C[C@@H](O)CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227962386 525757261 /nfs/dbraw/zinc/75/72/61/525757261.db2.gz FURGPIRSHVTTIM-SECBINFHSA-N 1 0 253.298 1.372 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCc1cccnc1)OCO2 ZINC000042880179 526336353 /nfs/dbraw/zinc/33/63/53/526336353.db2.gz CTMDDWZVLQNFFY-UHFFFAOYSA-N 1 0 272.304 1.848 20 10 CDCDRO O=C(NCc1ccccc1O)[C@H]1C[NH+]2CCC1CC2 ZINC000366323881 526755928 /nfs/dbraw/zinc/75/59/28/526755928.db2.gz RGBGKISQRWVDPN-ZDUSSCGKSA-N 1 0 260.337 1.350 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccccc2O)CCC1(F)F ZINC000291351934 527594681 /nfs/dbraw/zinc/59/46/81/527594681.db2.gz XJJNDWORWUKBJK-NSHDSACASA-N 1 0 257.280 1.842 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000418103367 528316665 /nfs/dbraw/zinc/31/66/65/528316665.db2.gz WDCFWKZPHFFHMY-UHFFFAOYSA-N 1 0 288.395 1.895 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCCC[NH+](C)C)c1 ZINC000729041611 574704834 /nfs/dbraw/zinc/70/48/34/574704834.db2.gz VBHOANCPWPAJDM-NSHDSACASA-N 1 0 295.383 1.713 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000729282139 574744722 /nfs/dbraw/zinc/74/47/22/574744722.db2.gz LBFPDDNHYRVADY-CQSZACIVSA-N 1 0 275.396 1.663 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CO)CC2CC2)c1O ZINC000754831886 575074763 /nfs/dbraw/zinc/07/47/63/575074763.db2.gz BGXBWIDGCGDRKC-GFCCVEGCSA-N 1 0 251.326 1.651 20 10 CDCDRO CCOc1ccc(C[NH2+]CCC[S@](C)=O)c(O)c1 ZINC000735084893 575422793 /nfs/dbraw/zinc/42/27/93/575422793.db2.gz AIXMKVRTFGYFMD-SFHVURJKSA-N 1 0 271.382 1.649 20 10 CDCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000773810954 575839380 /nfs/dbraw/zinc/83/93/80/575839380.db2.gz QJCNGXTXNISZRL-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C)O1 ZINC000768447267 576284202 /nfs/dbraw/zinc/28/42/02/576284202.db2.gz NXTBZXSBJWEKSM-HCKVZZMMSA-N 1 0 293.363 1.817 20 10 CDCDRO COCC1(O)CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000768466336 576288142 /nfs/dbraw/zinc/28/81/42/576288142.db2.gz ZKIIXPPASCFSNC-UHFFFAOYSA-N 1 0 295.379 1.683 20 10 CDCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)S(C)(=O)=O ZINC000754086339 576879012 /nfs/dbraw/zinc/87/90/12/576879012.db2.gz XDFOGIWNHWBLFW-SNVBAGLBSA-N 1 0 288.388 1.414 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(F)ccc1O ZINC000756616000 576997401 /nfs/dbraw/zinc/99/74/01/576997401.db2.gz YILIXKAAEMIXSN-LKFCYVNXSA-N 1 0 279.315 1.649 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000758505019 577112302 /nfs/dbraw/zinc/11/23/02/577112302.db2.gz KEJHZZPZVISVOA-LLVKDONJSA-N 1 0 273.336 1.771 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000779199754 617412385 /nfs/dbraw/zinc/41/23/85/617412385.db2.gz KVJLTWNMIZSBJH-ZYHUDNBSSA-N 1 0 251.326 1.604 20 10 CDCDRO C[C@H](CCCC[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892133286 617498815 /nfs/dbraw/zinc/49/88/15/617498815.db2.gz ACZBOVLQMDSZBJ-LLVKDONJSA-N 1 0 277.368 1.935 20 10 CDCDRO COc1ccc(C[NH2+]CCn2cccn2)c(O)c1OC ZINC000892659945 617567290 /nfs/dbraw/zinc/56/72/90/617567290.db2.gz NWKBLNGGDYPINX-UHFFFAOYSA-N 1 0 277.324 1.396 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)CC(N)=O ZINC000840892560 617670849 /nfs/dbraw/zinc/67/08/49/617670849.db2.gz AXWWRZSLJPJUBM-QWHCGFSZSA-N 1 0 277.412 1.846 20 10 CDCDRO COCC(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892857012 617834475 /nfs/dbraw/zinc/83/44/75/617834475.db2.gz ZBIQZGWESRBWSO-UHFFFAOYSA-N 1 0 269.341 1.924 20 10 CDCDRO COC1CCN(c2ccc(C[N@@H+]3CC[C@H]3CO)cc2)CC1 ZINC000934019930 617859356 /nfs/dbraw/zinc/85/93/56/617859356.db2.gz TUWFJQUJEXGYBJ-INIZCTEOSA-N 1 0 290.407 1.868 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1O ZINC000894288334 618495307 /nfs/dbraw/zinc/49/53/07/618495307.db2.gz SBBCBCCZSGEVHI-LBPRGKRZSA-N 1 0 299.392 1.376 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000840907569 618676503 /nfs/dbraw/zinc/67/65/03/618676503.db2.gz HLQLIRUHSWSDNU-CYBMUJFWSA-N 1 0 261.369 1.368 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccncc2)cc1 ZINC000841043689 618677618 /nfs/dbraw/zinc/67/76/18/618677618.db2.gz QCJJRUKVRMUEFQ-INIZCTEOSA-N 1 0 270.380 1.937 20 10 CDCDRO Fc1cc(CN[C@H]2CCC[NH2+]C2)ccc1N1CCOCC1 ZINC000841042274 618678153 /nfs/dbraw/zinc/67/81/53/618678153.db2.gz IITCECWHVKHCIE-AWEZNQCLSA-N 1 0 293.386 1.504 20 10 CDCDRO C[NH2+]CCCN(C)Cc1cc2c(cc1O)OCO2 ZINC000841102873 618683132 /nfs/dbraw/zinc/68/31/32/618683132.db2.gz APRZKRADOKJNDA-UHFFFAOYSA-N 1 0 252.314 1.162 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CO[C@H]2CCOC2)c1O ZINC000894338718 618793290 /nfs/dbraw/zinc/79/32/90/618793290.db2.gz JNYJPQNWBGICMZ-JSGCOSHPSA-N 1 0 295.379 1.993 20 10 CDCDRO COc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)c(O)c1OC ZINC000894491360 618917084 /nfs/dbraw/zinc/91/70/84/618917084.db2.gz GRNJLPJPGUXZPY-SNVBAGLBSA-N 1 0 294.351 1.120 20 10 CDCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000895316056 619546374 /nfs/dbraw/zinc/54/63/74/619546374.db2.gz HJLZMRUWKMYGPQ-ZDUSSCGKSA-N 1 0 260.337 1.236 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc[nH]3)cc2)CC1 ZINC000895333767 619572989 /nfs/dbraw/zinc/57/29/89/619572989.db2.gz DTTHXHYXKHACPU-UHFFFAOYSA-N 1 0 286.379 1.661 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000897891562 621196772 /nfs/dbraw/zinc/19/67/72/621196772.db2.gz HZGDWWHKTFHJHG-UKRRQHHQSA-N 1 0 282.359 1.785 20 10 CDCDRO Cc1c[nH]nc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841040953 621540613 /nfs/dbraw/zinc/54/06/13/621540613.db2.gz DDGJGPOABFFMDS-CQSZACIVSA-N 1 0 273.384 1.574 20 10 CDCDRO C[C@@H]([NH2+]CCCON)c1ccc(N2CCOCC2)c(F)c1 ZINC000902418325 624784109 /nfs/dbraw/zinc/78/41/09/624784109.db2.gz DLZCIHHIUXSNBV-GFCCVEGCSA-N 1 0 297.374 1.593 20 10 CDCDRO C[C@@H]1COC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448817 626000284 /nfs/dbraw/zinc/00/02/84/626000284.db2.gz TWRUJYZRYXXJTK-XYPHTWIQSA-N 1 0 291.439 1.980 20 10 CDCDRO O=C(NCc1ccc(O)cc1O)C1CC[NH+](C2CC2)CC1 ZINC000910946356 629126159 /nfs/dbraw/zinc/12/61/59/629126159.db2.gz MRZAVKJJNXJEPN-UHFFFAOYSA-N 1 0 290.363 1.588 20 10 CDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000913535552 630529755 /nfs/dbraw/zinc/52/97/55/630529755.db2.gz NBRZIRMXVYXXMN-IZRZCGHWSA-N 1 0 288.347 1.416 20 10 CDCDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2O)C1(C)C ZINC000157717777 630609648 /nfs/dbraw/zinc/60/96/48/630609648.db2.gz LBLPPLDHCHOFCT-BBRMVZONSA-N 1 0 292.379 1.541 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1cc(C)cc(OC)c1O ZINC000917068044 632140535 /nfs/dbraw/zinc/14/05/35/632140535.db2.gz LWAHIKFDLJVDQT-UHFFFAOYSA-N 1 0 280.368 1.667 20 10 CDCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000876713459 1165898973 /nfs/dbraw/zinc/89/89/73/1165898973.db2.gz QDEOJRYPYIHMDT-GOEBONIOSA-N 1 0 291.395 1.136 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846157962 738406207 /nfs/dbraw/zinc/40/62/07/738406207.db2.gz QKJBBOFLAWJORN-GHMZBOCLSA-N 1 0 269.341 1.449 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000841937209 736352875 /nfs/dbraw/zinc/35/28/75/736352875.db2.gz PEBJAOKZHQMCDW-MNOVXSKESA-N 1 0 293.367 1.513 20 10 CDCDRO Cc1cc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)ccc1N(C)C ZINC000878880865 736480792 /nfs/dbraw/zinc/48/07/92/736480792.db2.gz BOEOAICABVKQQN-HUUCEWRRSA-N 1 0 278.396 1.379 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000840921573 736515299 /nfs/dbraw/zinc/51/52/99/736515299.db2.gz WWCMKHPJTAFWMU-CJNGLKHVSA-N 1 0 278.396 1.643 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])CC(C)C)c(O)c1 ZINC000083492337 736491307 /nfs/dbraw/zinc/49/13/07/736491307.db2.gz QGIXSALHEKBMSC-LBPRGKRZSA-N 1 0 266.341 1.390 20 10 CDCDRO C[NH2+]CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000165421402 736540792 /nfs/dbraw/zinc/54/07/92/736540792.db2.gz SHRQWDACDKMJIC-UHFFFAOYSA-N 1 0 279.409 1.075 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000858587943 736551928 /nfs/dbraw/zinc/55/19/28/736551928.db2.gz SOZXKBWPIJJNEE-WDEREUQCSA-N 1 0 266.341 1.760 20 10 CDCDRO C[NH2+][C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843048490 736558009 /nfs/dbraw/zinc/55/80/09/736558009.db2.gz BYNYDPLMTMHRHK-LLVKDONJSA-N 1 0 264.325 1.305 20 10 CDCDRO CN1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1=O ZINC000704318737 736561733 /nfs/dbraw/zinc/56/17/33/736561733.db2.gz ZEHBYUUCTLSITL-NSHDSACASA-N 1 0 252.289 1.242 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1F ZINC000852864129 736679924 /nfs/dbraw/zinc/67/99/24/736679924.db2.gz XCOUEDRFZOPABN-AWEZNQCLSA-N 1 0 293.386 1.896 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)c(O)c1 ZINC000876578218 736716791 /nfs/dbraw/zinc/71/67/91/736716791.db2.gz FPWISJHFBOIRPU-UHFFFAOYSA-N 1 0 292.379 1.021 20 10 CDCDRO COC(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775620370 736746529 /nfs/dbraw/zinc/74/65/29/736746529.db2.gz YAFXKQWYJVKYES-CYBMUJFWSA-N 1 0 292.379 1.737 20 10 CDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000831094978 736903340 /nfs/dbraw/zinc/90/33/40/736903340.db2.gz TXIZXPMJBQJFRN-RYUDHWBXSA-N 1 0 278.400 1.678 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+]C[C@H]2C)c(O)c1 ZINC000843047992 737039654 /nfs/dbraw/zinc/03/96/54/737039654.db2.gz HBAOENONSFOPSF-LLVKDONJSA-N 1 0 250.342 1.585 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(O)c1 ZINC000795581240 737136478 /nfs/dbraw/zinc/13/64/78/737136478.db2.gz GSIKJWVKZDNSRI-ZIAGYGMSSA-N 1 0 295.379 1.526 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCN2CC[C@H](O)C2)cc1F ZINC000858340974 737253180 /nfs/dbraw/zinc/25/31/80/737253180.db2.gz UITFFCVTWBMJAM-LBPRGKRZSA-N 1 0 299.365 1.187 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c1 ZINC000228930244 737295183 /nfs/dbraw/zinc/29/51/83/737295183.db2.gz OFNGBIHDBFKCBL-MNOVXSKESA-N 1 0 280.368 1.965 20 10 CDCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844173313 737393260 /nfs/dbraw/zinc/39/32/60/737393260.db2.gz TZVLQOKBMTWSQV-UHFFFAOYSA-N 1 0 261.369 1.513 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NCC1CCC1 ZINC000843350261 737537580 /nfs/dbraw/zinc/53/75/80/737537580.db2.gz LFSUZWKTRPLWJS-UHFFFAOYSA-N 1 0 287.407 1.814 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835072668 737561941 /nfs/dbraw/zinc/56/19/41/737561941.db2.gz HWMHUQKOBNGCQU-KBPBESRZSA-N 1 0 274.364 1.944 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1=O ZINC000722358665 737706214 /nfs/dbraw/zinc/70/62/14/737706214.db2.gz CYMNHQKIHSKOCN-GFCCVEGCSA-N 1 0 278.352 1.501 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000848567647 737709586 /nfs/dbraw/zinc/70/95/86/737709586.db2.gz YRVJAXPVZSGZGE-NSHDSACASA-N 1 0 292.770 1.821 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(O)c1 ZINC000793389632 737731570 /nfs/dbraw/zinc/73/15/70/737731570.db2.gz KWGPQQVQIJWTLX-OAHLLOKOSA-N 1 0 278.352 1.488 20 10 CDCDRO Cc1cccc(CN2CC[NH+](CC(C)(C)O)CC2)c1O ZINC000180010235 737782729 /nfs/dbraw/zinc/78/27/29/737782729.db2.gz WGUUKGJFZBNRIE-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000862512387 737762826 /nfs/dbraw/zinc/76/28/26/737762826.db2.gz SVTBIRLYIMPZOU-IUODEOHRSA-N 1 0 296.436 1.726 20 10 CDCDRO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)c(O)c1 ZINC000877477989 737793754 /nfs/dbraw/zinc/79/37/54/737793754.db2.gz JKPYUMIOUHUKPJ-UHFFFAOYSA-N 1 0 276.380 1.655 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2nccn2C)c1 ZINC000843121345 737861895 /nfs/dbraw/zinc/86/18/95/737861895.db2.gz FCYMLMNCTXECPT-AWEZNQCLSA-N 1 0 286.379 1.581 20 10 CDCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000092015397 737861937 /nfs/dbraw/zinc/86/19/37/737861937.db2.gz KFGALFHUAWPHFN-OAHLLOKOSA-N 1 0 293.363 1.447 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1 ZINC000717170801 737866631 /nfs/dbraw/zinc/86/66/31/737866631.db2.gz MUCCMISLFXMZMB-UHFFFAOYSA-N 1 0 275.396 1.759 20 10 CDCDRO CCCCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648753 737902313 /nfs/dbraw/zinc/90/23/13/737902313.db2.gz CKYBXJRJNCDLAK-LLVKDONJSA-N 1 0 293.367 1.669 20 10 CDCDRO Cc1cc(C[N@@H+]2CCSC[C@H]2CO)ccc1N(C)C ZINC000815078144 737959823 /nfs/dbraw/zinc/95/98/23/737959823.db2.gz PHUVUSZYHXNWCQ-CQSZACIVSA-N 1 0 280.437 1.971 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883263304 738005239 /nfs/dbraw/zinc/00/52/39/738005239.db2.gz PCGUKPILSYIDAN-XYPYZODXSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1ccc(CNC(=O)NCCC[NH+](C)C)c(O)c1 ZINC000792775642 738005607 /nfs/dbraw/zinc/00/56/07/738005607.db2.gz ADPXONFNRJOXKL-UHFFFAOYSA-N 1 0 281.356 1.152 20 10 CDCDRO COc1c(O)c(C[N@H+](C)C[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000809752965 738031192 /nfs/dbraw/zinc/03/11/92/738031192.db2.gz YDAFVOBRGWXGSA-LBPRGKRZSA-N 1 0 296.323 1.512 20 10 CDCDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166458488 738044699 /nfs/dbraw/zinc/04/46/99/738044699.db2.gz SZUYBWHAFGDYEQ-UHFFFAOYSA-N 1 0 281.375 1.896 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C(C)(C)[NH3+])cc1 ZINC000846696810 738047159 /nfs/dbraw/zinc/04/71/59/738047159.db2.gz IABPFDDALQUSNW-UHFFFAOYSA-N 1 0 279.384 1.327 20 10 CDCDRO CS[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840112509 738066814 /nfs/dbraw/zinc/06/68/14/738066814.db2.gz DFGRXBSKPGWQLY-GXFFZTMASA-N 1 0 281.377 1.755 20 10 CDCDRO COc1cccc(C[N@@H+](C)C2CCN(OC)CC2)c1O ZINC000835076419 738094678 /nfs/dbraw/zinc/09/46/78/738094678.db2.gz PZDWHQKNRDNLBZ-UHFFFAOYSA-N 1 0 280.368 1.858 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[NH2+]C[C@H]2C)c1O ZINC000722385813 738166901 /nfs/dbraw/zinc/16/69/01/738166901.db2.gz KIECGTKUWSQDKQ-SECBINFHSA-N 1 0 270.760 1.848 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCCc1cnn(C)n1 ZINC000815144438 738346863 /nfs/dbraw/zinc/34/68/63/738346863.db2.gz IWJWFLWDQKKDMM-UHFFFAOYSA-N 1 0 276.340 1.252 20 10 CDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083794724 738382777 /nfs/dbraw/zinc/38/27/77/738382777.db2.gz FTTPWYGVWZWZRL-VIFPVBQESA-N 1 0 289.784 1.712 20 10 CDCDRO c1cc2c(cc1C[NH2+]CCO[C@H]1CCOC1)CCCO2 ZINC000922936037 738602564 /nfs/dbraw/zinc/60/25/64/738602564.db2.gz XDCDDILFLQPJSS-HNNXBMFYSA-N 1 0 277.364 1.907 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C(N)=O)CC1 ZINC000840908230 738613259 /nfs/dbraw/zinc/61/32/59/738613259.db2.gz QHCCLLKQOOJUNB-UHFFFAOYSA-N 1 0 275.396 1.758 20 10 CDCDRO C[NH2+]CCCN(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000124709590 738648733 /nfs/dbraw/zinc/64/87/33/738648733.db2.gz JYNBOLFWPNOXPK-UHFFFAOYSA-N 1 0 268.332 1.775 20 10 CDCDRO Cc1ccc(C(=O)NCC2CC[NH+](C)CC2)c(O)c1O ZINC000182283397 738690455 /nfs/dbraw/zinc/69/04/55/738690455.db2.gz KULBQIMXNDIAOC-UHFFFAOYSA-N 1 0 278.352 1.478 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000876780537 738766852 /nfs/dbraw/zinc/76/68/52/738766852.db2.gz HBUHWGCKWXBOSF-LBPRGKRZSA-N 1 0 262.353 1.788 20 10 CDCDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000817894913 738798950 /nfs/dbraw/zinc/79/89/50/738798950.db2.gz OWCDFCOVHGJGKK-CVEARBPZSA-N 1 0 275.396 1.493 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026553 738806144 /nfs/dbraw/zinc/80/61/44/738806144.db2.gz IGMFNFVJINPOFA-CJNGLKHVSA-N 1 0 259.397 1.855 20 10 CDCDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccccc1O ZINC000843121294 738813124 /nfs/dbraw/zinc/81/31/24/738813124.db2.gz CDHICCPZGCREQZ-ZDUSSCGKSA-N 1 0 272.352 1.272 20 10 CDCDRO Oc1c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc2ccccc21 ZINC000816513425 738813246 /nfs/dbraw/zinc/81/32/46/738813246.db2.gz QDGUKRZHOQIEOL-OKILXGFUSA-N 1 0 259.305 1.083 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841919647 738815316 /nfs/dbraw/zinc/81/53/16/738815316.db2.gz BNWPRNXSIQDMFI-CYBMUJFWSA-N 1 0 277.368 1.676 20 10 CDCDRO COc1cccc(CN(C)CC[NH+]2CCCC2)c1O ZINC000133911995 738847007 /nfs/dbraw/zinc/84/70/07/738847007.db2.gz RAVVRXRWDMISKY-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO CN1CC[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000712547821 738873238 /nfs/dbraw/zinc/87/32/38/738873238.db2.gz JKTUUVMYOKUORH-INIZCTEOSA-N 1 0 275.396 1.317 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000839648752 738893424 /nfs/dbraw/zinc/89/34/24/738893424.db2.gz DFLAXITWLZFKGM-HOCLYGCPSA-N 1 0 278.396 1.630 20 10 CDCDRO CC(C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000036162798 739091834 /nfs/dbraw/zinc/09/18/34/739091834.db2.gz AJIYLWHLXBJORH-UHFFFAOYSA-N 1 0 282.409 1.419 20 10 CDCDRO COc1cccc(C[N@H+](C[C@@H](C)O)C2CC2)c1O ZINC000848929250 739117678 /nfs/dbraw/zinc/11/76/78/739117678.db2.gz UVEQOSCTQVBFNE-SNVBAGLBSA-N 1 0 251.326 1.746 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1F ZINC000886226679 739118612 /nfs/dbraw/zinc/11/86/12/739118612.db2.gz PTHRUVOBFCZGRD-ZIAGYGMSSA-N 1 0 296.386 1.911 20 10 CDCDRO Nc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1 ZINC000857845218 739183137 /nfs/dbraw/zinc/18/31/37/739183137.db2.gz ZXZOHYIKFLWJFZ-JTQLQIEISA-N 1 0 256.309 1.666 20 10 CDCDRO C[NH2+][C@H](C)c1cn(Cc2cc(F)cc(C(C)=O)c2O)nn1 ZINC000880995575 738903009 /nfs/dbraw/zinc/90/30/09/738903009.db2.gz BRLYAUVXYUJFGU-MRVPVSSYSA-N 1 0 292.314 1.654 20 10 CDCDRO COc1ccc(O)c([C@H](C)NCC[NH2+]C2CC2)c1 ZINC000817953990 738926675 /nfs/dbraw/zinc/92/66/75/738926675.db2.gz UOPOXQFFYDMWLN-JTQLQIEISA-N 1 0 250.342 1.803 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn[nH]n2)c1 ZINC000851900261 736365000 /nfs/dbraw/zinc/36/50/00/736365000.db2.gz BTZHXLUWDLFNFN-VIFPVBQESA-N 1 0 262.313 1.412 20 10 CDCDRO C[S@@](=O)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000116918977 736388774 /nfs/dbraw/zinc/38/87/74/736388774.db2.gz WDQQAIZFTJJUNU-INIZCTEOSA-N 1 0 261.774 1.904 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000802660455 736504284 /nfs/dbraw/zinc/50/42/84/736504284.db2.gz LVVOLBKGQKGSHA-CQSZACIVSA-N 1 0 269.316 1.697 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000839164906 736621106 /nfs/dbraw/zinc/62/11/06/736621106.db2.gz BVCMKWGZEPXWQJ-GDBMZVCRSA-N 1 0 278.396 1.318 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CCCO2)cc1 ZINC000832278243 736754446 /nfs/dbraw/zinc/75/44/46/736754446.db2.gz CDDZTOCQPSWTNH-CABCVRRESA-N 1 0 291.395 1.438 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC000704339053 736803977 /nfs/dbraw/zinc/80/39/77/736803977.db2.gz IHGIBBXIFDQHJI-DGCLKSJQSA-N 1 0 262.353 1.972 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCCCS(C)(=O)=O ZINC000818224743 736850227 /nfs/dbraw/zinc/85/02/27/736850227.db2.gz PVTUDGQYCJOPEC-UHFFFAOYSA-N 1 0 287.381 1.315 20 10 CDCDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1O ZINC000824960491 736870453 /nfs/dbraw/zinc/87/04/53/736870453.db2.gz XFOPRVFCWPKUSM-CQSZACIVSA-N 1 0 270.332 1.995 20 10 CDCDRO C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@@H]1COCCO1 ZINC000853556978 736900696 /nfs/dbraw/zinc/90/06/96/736900696.db2.gz GLWNRJKVEYGXNP-CYBMUJFWSA-N 1 0 288.347 1.788 20 10 CDCDRO C[N@H+](CCOCCO)Cc1cc(Cl)ccc1O ZINC000800545411 737050800 /nfs/dbraw/zinc/05/08/00/737050800.db2.gz QKAVEBRFFCUOIY-UHFFFAOYSA-N 1 0 259.733 1.486 20 10 CDCDRO COC[C@H](CCO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825292610 737073626 /nfs/dbraw/zinc/07/36/26/737073626.db2.gz ZKOVSIIGTTYWKY-NSHDSACASA-N 1 0 273.760 1.841 20 10 CDCDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834623944 737137785 /nfs/dbraw/zinc/13/77/85/737137785.db2.gz CLLFXOJVKDAADT-JQWIXIFHSA-N 1 0 283.393 1.792 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c(O)c1 ZINC000832178605 737169080 /nfs/dbraw/zinc/16/90/80/737169080.db2.gz TZNDFWZMJYFOSF-SWLSCSKDSA-N 1 0 276.336 1.017 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000877594066 737218206 /nfs/dbraw/zinc/21/82/06/737218206.db2.gz ANVRTRWXMUJRAI-GFCCVEGCSA-N 1 0 265.353 1.672 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)c(O)c1 ZINC000835080508 737241742 /nfs/dbraw/zinc/24/17/42/737241742.db2.gz RYANUEWKLLJPIJ-CHWSQXEVSA-N 1 0 251.326 1.794 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000877548605 737273931 /nfs/dbraw/zinc/27/39/31/737273931.db2.gz NPIXPZVZXRGHBN-CYBMUJFWSA-N 1 0 297.420 1.957 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000706732906 737286616 /nfs/dbraw/zinc/28/66/16/737286616.db2.gz DLPWMIBQKZBVCZ-VXGBXAGGSA-N 1 0 267.325 1.030 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266396 737307992 /nfs/dbraw/zinc/30/79/92/737307992.db2.gz FUSVJHWSWFUCHN-IYBDPMFKSA-N 1 0 288.391 1.601 20 10 CDCDRO CN1CCC[C@@H](N2CCCc3cc(C[NH3+])ccc32)C1=O ZINC000852741521 737347091 /nfs/dbraw/zinc/34/70/91/737347091.db2.gz UVDPPAWIDUAWKR-OAHLLOKOSA-N 1 0 273.380 1.519 20 10 CDCDRO [NH3+]C1(C(=O)NCCCSc2nccs2)CC1 ZINC000237790092 737419031 /nfs/dbraw/zinc/41/90/31/737419031.db2.gz KMTYXHPTFANRAS-UHFFFAOYSA-N 1 0 257.384 1.233 20 10 CDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]2COC[C@@H]21 ZINC000384815713 737523879 /nfs/dbraw/zinc/52/38/79/737523879.db2.gz HFFUOXHFODPBMU-NWDGAFQWSA-N 1 0 291.347 1.978 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000852495195 737606672 /nfs/dbraw/zinc/60/66/72/737606672.db2.gz KFOAVXCATLQKMQ-GDBMZVCRSA-N 1 0 287.407 1.853 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834783258 737627098 /nfs/dbraw/zinc/62/70/98/737627098.db2.gz DABCKOVRADSIDL-KBPBESRZSA-N 1 0 295.379 1.383 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CCOC1 ZINC000840936967 737699317 /nfs/dbraw/zinc/69/93/17/737699317.db2.gz PCPYTLBNTCCBOY-OAHLLOKOSA-N 1 0 264.369 1.302 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1 ZINC000036794241 738986377 /nfs/dbraw/zinc/98/63/77/738986377.db2.gz CNTXMKCFECEOCA-VHSXEESVSA-N 1 0 266.341 1.528 20 10 CDCDRO C[NH+](C)CCOCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708535645 737759526 /nfs/dbraw/zinc/75/95/26/737759526.db2.gz OMPJNDPWYGIUOB-UHFFFAOYSA-N 1 0 274.311 1.338 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000104901007 737861218 /nfs/dbraw/zinc/86/12/18/737861218.db2.gz RYONOWQHLZZYIR-GXFFZTMASA-N 1 0 278.352 1.672 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000840933619 737862339 /nfs/dbraw/zinc/86/23/39/737862339.db2.gz QVHDPKOMDAHMIB-CYBMUJFWSA-N 1 0 261.369 1.381 20 10 CDCDRO C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@H]1COCCO1 ZINC000853556979 737982483 /nfs/dbraw/zinc/98/24/83/737982483.db2.gz GLWNRJKVEYGXNP-ZDUSSCGKSA-N 1 0 288.347 1.788 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC000777439308 738270046 /nfs/dbraw/zinc/27/00/46/738270046.db2.gz DJHNTXTWULNCIH-UHFFFAOYSA-N 1 0 279.336 1.976 20 10 CDCDRO Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(O)c1O ZINC000861910882 738991531 /nfs/dbraw/zinc/99/15/31/738991531.db2.gz BVHQFGGBBYHCGA-GDNZZTSVSA-N 1 0 276.336 1.038 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000866418859 739063075 /nfs/dbraw/zinc/06/30/75/739063075.db2.gz WEYFTFIWBFTENH-ZNMIVQPWSA-N 1 0 264.369 1.553 20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(N(C)C)cc1 ZINC000843123171 739110078 /nfs/dbraw/zinc/11/00/78/739110078.db2.gz IOYUNSHWNQWONE-HNNXBMFYSA-N 1 0 291.395 1.090 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NCC2CC2)c1O ZINC000846164016 739120739 /nfs/dbraw/zinc/12/07/39/739120739.db2.gz UNAQGNCDCPAFQS-SNVBAGLBSA-N 1 0 278.352 1.578 20 10 CDCDRO COc1cc(C)cc(CN2CCO[C@@H](CF)C2)c1O ZINC000840171255 739150702 /nfs/dbraw/zinc/15/07/02/739150702.db2.gz IFHBJTSVAZBZAP-LBPRGKRZSA-N 1 0 269.316 1.880 20 10 CDCDRO CCNC(=[NH2+])NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849044160 739221887 /nfs/dbraw/zinc/22/18/87/739221887.db2.gz WZPCVBNEWZAULY-GFCCVEGCSA-N 1 0 276.384 1.655 20 10 CDCDRO Cc1ccc(C[NH2+]CCNc2cnccn2)c(O)c1 ZINC000877085701 1165971932 /nfs/dbraw/zinc/97/19/32/1165971932.db2.gz QVDRDKXTJPHCQG-UHFFFAOYSA-N 1 0 258.325 1.692 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000126960200 1166155310 /nfs/dbraw/zinc/15/53/10/1166155310.db2.gz SVEDYRAJYIIARS-LBPRGKRZSA-N 1 0 285.365 1.068 20 10 CDCDRO CC(C)OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650178 1166391335 /nfs/dbraw/zinc/39/13/35/1166391335.db2.gz NESVDIXMSJOMGR-NWDGAFQWSA-N 1 0 253.342 1.829 20 10 CDCDRO CCOc1cccc(C[NH2+]CCc2ccn(C)n2)c1O ZINC000230882682 912398866 /nfs/dbraw/zinc/39/88/66/912398866.db2.gz WVTRREJVFOXDSC-UHFFFAOYSA-N 1 0 275.352 1.857 20 10 CDCDRO Oc1cccc2c1C[N@@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173764622 912821504 /nfs/dbraw/zinc/82/15/04/912821504.db2.gz BHICFLCJIAJQNR-KBPBESRZSA-N 1 0 299.378 1.921 20 10 CDCDRO N[C@]1(C(F)(F)F)CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001206245705 913534931 /nfs/dbraw/zinc/53/49/31/913534931.db2.gz XVJVNPRGLYXEMP-LLVKDONJSA-N 1 0 292.257 1.269 20 10 CDCDRO O=S1(=O)CCCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000694583682 898555708 /nfs/dbraw/zinc/55/57/08/898555708.db2.gz GNNUJVMGKLRGTK-QWHCGFSZSA-N 1 0 295.404 1.936 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000104901009 900779231 /nfs/dbraw/zinc/77/92/31/900779231.db2.gz RYONOWQHLZZYIR-ZWNOBZJWSA-N 1 0 278.352 1.672 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1O ZINC001272659969 914489076 /nfs/dbraw/zinc/48/90/76/914489076.db2.gz IGHZKTOATIKNBA-INIZCTEOSA-N 1 0 290.363 1.460 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841758914 908192648 /nfs/dbraw/zinc/19/26/48/908192648.db2.gz DNLYHPMCRHEVID-NSHDSACASA-N 1 0 282.363 1.428 20 10 CDCDRO C[C@@]1(CNC(=O)NCCc2ccc(N)cc2)CCC[NH2+]C1 ZINC000841955505 908834997 /nfs/dbraw/zinc/83/49/97/908834997.db2.gz FHAVITSBOOBLNT-MRXNPFEDSA-N 1 0 290.411 1.500 20 10 CDCDRO O=C1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CCN1C1CC1 ZINC001172007776 911083401 /nfs/dbraw/zinc/08/34/01/911083401.db2.gz WMUDDDXNQSADCB-LBPRGKRZSA-N 1 0 290.363 1.383 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001172597981 911762473 /nfs/dbraw/zinc/76/24/73/911762473.db2.gz PZJYHUUZIDZEOG-PWSUYJOCSA-N 1 0 279.336 1.919 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001172600985 911769583 /nfs/dbraw/zinc/76/95/83/911769583.db2.gz HCSTVAZPLMNROJ-PWSUYJOCSA-N 1 0 279.336 1.919 20 10 CDCDRO Cn1ccc2ncc(-c3cnn(CC[NH+](C)C)c3)cc21 ZINC001206359893 915706101 /nfs/dbraw/zinc/70/61/01/915706101.db2.gz XQWAQYBGVBCDFR-UHFFFAOYSA-N 1 0 269.352 1.998 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)C[C@H](C)[NH3+])CC2)cc1 ZINC000828352708 936372747 /nfs/dbraw/zinc/37/27/47/936372747.db2.gz CDHANPBDNGNOAO-LBPRGKRZSA-N 1 0 291.395 1.518 20 10 CDCDRO O=S1(=O)CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921498641 916956595 /nfs/dbraw/zinc/95/65/95/916956595.db2.gz JYRGFXLYFNYYMI-ZDUSSCGKSA-N 1 0 281.377 1.288 20 10 CDCDRO C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182157460 917695627 /nfs/dbraw/zinc/69/56/27/917695627.db2.gz QKLLJMSOGLBSTQ-LBPRGKRZSA-N 1 0 278.352 1.098 20 10 CDCDRO Cc1c(CN2CCN(C)C(=O)C2)c2ccccc2n1C ZINC001138252789 936501871 /nfs/dbraw/zinc/50/18/71/936501871.db2.gz UYCPCONURNXDMX-UHFFFAOYSA-N 1 0 271.364 1.761 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@H]4CNC(=O)[C@H]4C3)ccc21 ZINC001138356149 936526095 /nfs/dbraw/zinc/52/60/95/936526095.db2.gz IRCZFPQKLVUTTG-HOTGVXAUSA-N 1 0 299.418 1.637 20 10 CDCDRO Cc1ccc(C[N@H+]2CCC[C@]23CCN(C)C3=O)c(O)c1 ZINC001272764932 919191742 /nfs/dbraw/zinc/19/17/42/919191742.db2.gz CYFFMZPWKNTBAY-MRXNPFEDSA-N 1 0 274.364 1.897 20 10 CDCDRO COC(=O)C[C@H]1CN(Cc2c(C)ccc(C)c2O)CCO1 ZINC001140182267 936684778 /nfs/dbraw/zinc/68/47/78/936684778.db2.gz NAYOCMRXNJKKRG-ZDUSSCGKSA-N 1 0 293.363 1.773 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c1 ZINC001140623858 936732380 /nfs/dbraw/zinc/73/23/80/936732380.db2.gz VETIIJYFCZMEAI-HNNXBMFYSA-N 1 0 287.363 1.664 20 10 CDCDRO CC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1O ZINC000775414936 922237898 /nfs/dbraw/zinc/23/78/98/922237898.db2.gz LZNRNUFFIAOWSA-GFCCVEGCSA-N 1 0 273.340 1.955 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC001140742167 936748195 /nfs/dbraw/zinc/74/81/95/936748195.db2.gz JIHKAWJVUHBARK-GFCCVEGCSA-N 1 0 251.326 1.753 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000701055639 922318699 /nfs/dbraw/zinc/31/86/99/922318699.db2.gz IMOCYXWXDAALOZ-UHFFFAOYSA-N 1 0 287.157 1.380 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCc3c(cnn3C)C2)c1O ZINC001140748429 936749655 /nfs/dbraw/zinc/74/96/55/936749655.db2.gz ZVIMYCVCOFFTCM-UHFFFAOYSA-N 1 0 273.336 1.698 20 10 CDCDRO C[NH+](C)C[C@H]1CN(Cc2c(O)cccc2F)CCO1 ZINC001137832628 922529162 /nfs/dbraw/zinc/52/91/62/922529162.db2.gz BOJXRDQHVGHXCE-NSHDSACASA-N 1 0 268.332 1.294 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC(C(=O)OC)C2)c(O)c1 ZINC001140850233 936764307 /nfs/dbraw/zinc/76/43/07/936764307.db2.gz HIYUBMAOMCMUTK-UHFFFAOYSA-N 1 0 292.379 1.843 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(OC)c1 ZINC001141029629 936794852 /nfs/dbraw/zinc/79/48/52/936794852.db2.gz YFBOCNHEVJMPIA-NSODJVPESA-N 1 0 293.363 1.876 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)c(OC)c1 ZINC001141032892 936795903 /nfs/dbraw/zinc/79/59/03/936795903.db2.gz RIIBFTQVESMKKJ-LLVKDONJSA-N 1 0 278.352 1.299 20 10 CDCDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C2)c(OC)c1 ZINC001141028524 936794269 /nfs/dbraw/zinc/79/42/69/936794269.db2.gz SCKGXXXUARHUJL-SNVBAGLBSA-N 1 0 267.325 1.630 20 10 CDCDRO O=C1NCCCC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141159251 936822005 /nfs/dbraw/zinc/82/20/05/936822005.db2.gz DQUAZUUEQVXARC-UHFFFAOYSA-N 1 0 290.363 1.590 20 10 CDCDRO C[N@@H+]1CCC[C@@](C)(NC(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193634357 923821827 /nfs/dbraw/zinc/82/18/27/923821827.db2.gz VEMNLBUQWRNFLT-CQSZACIVSA-N 1 0 298.770 1.965 20 10 CDCDRO COc1cccc(CN2C[C@H](C)CC[C@H]2C[NH3+])c1O ZINC001205802132 925079810 /nfs/dbraw/zinc/07/98/10/925079810.db2.gz AARAAIJJFFRHEW-YPMHNXCESA-N 1 0 264.369 1.960 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841033196 936972098 /nfs/dbraw/zinc/97/20/98/936972098.db2.gz PBJVCIDZBBLTJK-INIZCTEOSA-N 1 0 289.423 1.755 20 10 CDCDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841295567 936991411 /nfs/dbraw/zinc/99/14/11/936991411.db2.gz BLIOIMWMZDDLHD-QWRGUYRKSA-N 1 0 262.357 1.825 20 10 CDCDRO COc1cc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c(O)c(OC)c1 ZINC001205855039 925574455 /nfs/dbraw/zinc/57/44/55/925574455.db2.gz LJSAKJKVTAQERW-WCQYABFASA-N 1 0 294.395 1.969 20 10 CDCDRO C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841881611 937020523 /nfs/dbraw/zinc/02/05/23/937020523.db2.gz AGOGXVOIGHIEPP-WCQYABFASA-N 1 0 276.384 1.556 20 10 CDCDRO C[NH+]1CCN(C2CN(Cc3cc(F)c(F)cc3O)C2)CC1 ZINC001142530696 937028425 /nfs/dbraw/zinc/02/84/25/937028425.db2.gz KEPOUBKSACZXCF-UHFFFAOYSA-N 1 0 297.349 1.102 20 10 CDCDRO [NH3+]CCN(c1cccnc1)c1cnc2c(c1)C1(CC1)C(=O)N2 ZINC001168838368 927483204 /nfs/dbraw/zinc/48/32/04/927483204.db2.gz JEYSTENMXMDBPV-UHFFFAOYSA-N 1 0 295.346 1.557 20 10 CDCDRO CCc1cccc(C[NH2+]Cc2cn(CC)nn2)c1O ZINC000691483127 929004860 /nfs/dbraw/zinc/00/48/60/929004860.db2.gz OUYXDPCNCFZAKN-UHFFFAOYSA-N 1 0 260.341 1.856 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000797605721 937333840 /nfs/dbraw/zinc/33/38/40/937333840.db2.gz VWCFGJKKWZOKFP-OAHLLOKOSA-N 1 0 278.352 1.359 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2CCN2CC)c(O)c1 ZINC000883360988 930190201 /nfs/dbraw/zinc/19/02/01/930190201.db2.gz QMFGOYOLDLFZFG-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H](C)[NH3+] ZINC000828145101 930671577 /nfs/dbraw/zinc/67/15/77/930671577.db2.gz XUSFFJIFJMQPSY-NSHDSACASA-N 1 0 250.342 1.868 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001253479772 930803040 /nfs/dbraw/zinc/80/30/40/930803040.db2.gz RXICUVNCQSVPEH-NSHDSACASA-N 1 0 269.341 1.363 20 10 CDCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1O ZINC001275267682 931718886 /nfs/dbraw/zinc/71/88/86/931718886.db2.gz VLYGJSCYQDWYCL-TXEJJXNPSA-N 1 0 252.745 1.934 20 10 CDCDRO O=C1CC[N@H+](Cc2c(O)cc(O)cc2O)CC[C@@H]1F ZINC001144503857 931864011 /nfs/dbraw/zinc/86/40/11/931864011.db2.gz GFTMAPFWMPWDKY-JTQLQIEISA-N 1 0 269.272 1.306 20 10 CDCDRO COCC[N@H+](Cc1c(O)cc(O)cc1O)C(C)C ZINC001144509422 931876012 /nfs/dbraw/zinc/87/60/12/931876012.db2.gz WDZWFOLYGRSNSH-UHFFFAOYSA-N 1 0 255.314 1.660 20 10 CDCDRO CN1CCC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144516423 931881030 /nfs/dbraw/zinc/88/10/30/931881030.db2.gz YDHLDOKYXMEHFH-GXFFZTMASA-N 1 0 278.352 1.329 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)[NH3+])cc1 ZINC000846697761 932114128 /nfs/dbraw/zinc/11/41/28/932114128.db2.gz VVMDYIVSOVNWKB-GFCCVEGCSA-N 1 0 279.384 1.327 20 10 CDCDRO COc1cc(CN2CC3(C2)CC[N@H+](C)C3)cc(O)c1O ZINC001275962209 932172105 /nfs/dbraw/zinc/17/21/05/932172105.db2.gz DIFKXYFKCDOXLH-UHFFFAOYSA-N 1 0 278.352 1.244 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001276168559 932589314 /nfs/dbraw/zinc/58/93/14/932589314.db2.gz GEIOJBUWPBYKSV-UHFFFAOYSA-N 1 0 298.390 1.742 20 10 CDCDRO C[NH+](C)CCC(C)(C)NC(=O)c1cccc(O)c1O ZINC001148220031 932672523 /nfs/dbraw/zinc/67/25/23/932672523.db2.gz MBEDRWQMKHBNBM-UHFFFAOYSA-N 1 0 266.341 1.558 20 10 CDCDRO O=C(NCC12CC[NH+](CC1)CC2)c1cc(O)c(O)c(O)c1 ZINC001148589968 932755248 /nfs/dbraw/zinc/75/52/48/932755248.db2.gz STPPRXVRXNSYBK-UHFFFAOYSA-N 1 0 292.335 1.019 20 10 CDCDRO CCc1cccc(C[N@H+](C)C[C@H](C)C(=O)NC)c1O ZINC000692086077 934379225 /nfs/dbraw/zinc/37/92/25/934379225.db2.gz KVWUZVXKOAFBHE-NSHDSACASA-N 1 0 264.369 1.769 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000779499314 934590096 /nfs/dbraw/zinc/59/00/96/934590096.db2.gz MVHQIPPQHAQEOG-RDNKVPPGSA-N 1 0 288.347 1.464 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001276365060 935194080 /nfs/dbraw/zinc/19/40/80/935194080.db2.gz JQJCJSVSCNSUGT-OKILXGFUSA-N 1 0 276.380 1.524 20 10 CDCDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381136423 935520102 /nfs/dbraw/zinc/52/01/02/935520102.db2.gz IXXVXEPVPGCCTM-JSGCOSHPSA-N 1 0 275.396 1.899 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001121848499 937885161 /nfs/dbraw/zinc/88/51/61/937885161.db2.gz JXGPSPURYLJSGD-YNEHKIRRSA-N 1 0 260.337 1.491 20 10 CDCDRO CN(C[C@H]1CCC[NH2+]C1)C(=O)Cc1ccc(N)cc1 ZINC001160697568 938815697 /nfs/dbraw/zinc/81/56/97/938815697.db2.gz AQLZKDFSVJSVLA-ZDUSSCGKSA-N 1 0 261.369 1.269 20 10 CDCDRO Nc1ccc(CNc2ncc3c(n2)CC[NH2+]C3)cc1 ZINC001162784319 939137812 /nfs/dbraw/zinc/13/78/12/939137812.db2.gz KPAKFJGPCWUSFB-UHFFFAOYSA-N 1 0 255.325 1.317 20 10 CDCDRO COc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c1O ZINC001203585080 939694087 /nfs/dbraw/zinc/69/40/87/939694087.db2.gz LSHLWSHVUAFQJZ-JQWIXIFHSA-N 1 0 251.326 1.746 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c(O)c1 ZINC001203634373 939698955 /nfs/dbraw/zinc/69/89/55/939698955.db2.gz BVSLVOYQMHZFHV-UHFFFAOYSA-N 1 0 292.335 1.475 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC001203635132 939699067 /nfs/dbraw/zinc/69/90/67/939699067.db2.gz KVZGQDBHBHJOKT-LBPRGKRZSA-N 1 0 293.367 1.294 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(O)c(O)c1 ZINC001203874011 939710046 /nfs/dbraw/zinc/71/00/46/939710046.db2.gz KYDZQVHRASQBQY-UHFFFAOYSA-N 1 0 255.314 1.193 20 10 CDCDRO Oc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1O ZINC001203879393 939711044 /nfs/dbraw/zinc/71/10/44/939711044.db2.gz PGDDUPLTGBZICP-ZDUSSCGKSA-N 1 0 262.353 1.768 20 10 CDCDRO CCOCC[NH+](CCOCC)Cc1ccc(O)c(O)c1 ZINC001203882880 939711747 /nfs/dbraw/zinc/71/17/47/939711747.db2.gz VZUYFLQKUUYYNL-UHFFFAOYSA-N 1 0 283.368 1.973 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204275855 939750052 /nfs/dbraw/zinc/75/00/52/939750052.db2.gz CXHOQMNWYUUMKG-MFKMUULPSA-N 1 0 251.326 1.691 20 10 CDCDRO Oc1ccc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c(O)c1 ZINC001204276792 939751721 /nfs/dbraw/zinc/75/17/21/939751721.db2.gz RKBWHKBYFCGZHX-ZDUSSCGKSA-N 1 0 279.336 1.214 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)cc(O)c1O ZINC001204343509 939757385 /nfs/dbraw/zinc/75/73/85/939757385.db2.gz SGWILJGHAZXHTP-PWSUYJOCSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)cc(O)c1O ZINC001204343508 939757555 /nfs/dbraw/zinc/75/75/55/939757555.db2.gz SGWILJGHAZXHTP-JQWIXIFHSA-N 1 0 281.352 1.699 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc1Cl ZINC001204830132 939796341 /nfs/dbraw/zinc/79/63/41/939796341.db2.gz KXGIDUCHKGJADY-ZJUUUORDSA-N 1 0 274.723 1.535 20 10 CDCDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001206372240 940028298 /nfs/dbraw/zinc/02/82/98/940028298.db2.gz ZBGWHMKAIWGUAR-AWEZNQCLSA-N 1 0 284.331 1.456 20 10 CDCDRO C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1cccc(F)c1O ZINC001276537737 940210667 /nfs/dbraw/zinc/21/06/67/940210667.db2.gz MUMGFRHYHLSOIK-TXEJJXNPSA-N 1 0 266.316 1.046 20 10 CDCDRO Cc1cc(CN2CC[NH2+]C[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001210401466 940688838 /nfs/dbraw/zinc/68/88/38/940688838.db2.gz ZIUKOQOLIUVFSO-GOSISDBHSA-N 1 0 299.418 1.860 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CO1 ZINC000402350492 940894514 /nfs/dbraw/zinc/89/45/14/940894514.db2.gz SDEZYRVTSMCDNH-WPRPVWTQSA-N 1 0 251.282 1.388 20 10 CDCDRO CC[NH+]1CCN(c2ccc(O[C@H]3C[C@@H](O)C3)cc2)CC1 ZINC001218423915 941215607 /nfs/dbraw/zinc/21/56/07/941215607.db2.gz QBHYYLZBBLZIPB-FZNQNYSPSA-N 1 0 276.380 1.731 20 10 CDCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001219923602 941396945 /nfs/dbraw/zinc/39/69/45/941396945.db2.gz TUXVKKPDXIIKHV-QWRGUYRKSA-N 1 0 252.289 1.099 20 10 CDCDRO Nc1ccc(CC(=O)N2CCCc3ccc(C[NH3+])nc32)cc1 ZINC001220377362 941441423 /nfs/dbraw/zinc/44/14/23/941441423.db2.gz UCVLROWFQZPXJX-UHFFFAOYSA-N 1 0 296.374 1.644 20 10 CDCDRO Nc1ccc(CC(=O)NCC23CC[NH+](CC2)CC3)cc1 ZINC001220394657 941444005 /nfs/dbraw/zinc/44/40/05/941444005.db2.gz KYIXVWKRCIVCBL-UHFFFAOYSA-N 1 0 273.380 1.413 20 10 CDCDRO [NH3+]CCCCNC(=O)c1ccc(O)c(O)c1Cl ZINC001221346626 941520507 /nfs/dbraw/zinc/52/05/07/941520507.db2.gz PJJALWDRGGVUBX-UHFFFAOYSA-N 1 0 258.705 1.220 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001276958343 941730874 /nfs/dbraw/zinc/73/08/74/941730874.db2.gz LIICENQAQNKRHI-WMLDXEAASA-N 1 0 287.407 1.805 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1O ZINC001231591296 942938260 /nfs/dbraw/zinc/93/82/60/942938260.db2.gz ZXNSXVWWPJWBCC-DZGCQCFKSA-N 1 0 265.353 1.266 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263316 943194120 /nfs/dbraw/zinc/19/41/20/943194120.db2.gz MHKOZEBJUZOYEC-LLVKDONJSA-N 1 0 298.770 1.804 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)cc1Cl ZINC001232271673 943196291 /nfs/dbraw/zinc/19/62/91/943196291.db2.gz ZVJQUHPBWIZQCS-LLVKDONJSA-N 1 0 282.771 1.944 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001232835668 943413860 /nfs/dbraw/zinc/41/38/60/943413860.db2.gz FKAJOQLCBLOQBU-QWHCGFSZSA-N 1 0 268.332 1.363 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@@H]32)c(O)c1 ZINC001232840109 943415143 /nfs/dbraw/zinc/41/51/43/943415143.db2.gz NEUMREOPHDVVSU-BBRMVZONSA-N 1 0 289.423 1.984 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC001232839691 943415636 /nfs/dbraw/zinc/41/56/36/943415636.db2.gz TZYMUULBTSDWJA-ZDUSSCGKSA-N 1 0 298.408 1.077 20 10 CDCDRO C[NH+]1CC2(C1)CCN(Cc1cc(O)c(O)c(O)c1)CC2 ZINC001233014919 943462985 /nfs/dbraw/zinc/46/29/85/943462985.db2.gz FHCCBCJLUUKGKA-UHFFFAOYSA-N 1 0 278.352 1.331 20 10 CDCDRO Oc1cc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1O ZINC001233484892 943592361 /nfs/dbraw/zinc/59/23/61/943592361.db2.gz BERZUFPPVCKBPV-LBPRGKRZSA-N 1 0 278.352 1.474 20 10 CDCDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(O)c(O)cc2O)C1 ZINC001233487228 943595804 /nfs/dbraw/zinc/59/58/04/943595804.db2.gz VPYJOSGBOPFBMM-LBPRGKRZSA-N 1 0 294.351 1.246 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001236027761 944382239 /nfs/dbraw/zinc/38/22/39/944382239.db2.gz ONTLEMHWVRVNGQ-JQWIXIFHSA-N 1 0 272.270 1.944 20 10 CDCDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc2c(c1)OCCN2C ZINC001236102208 944405090 /nfs/dbraw/zinc/40/50/90/944405090.db2.gz GPCFOMDKMSQWBB-CHWSQXEVSA-N 1 0 275.396 1.697 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(Cl)cc1O ZINC001236201220 944429825 /nfs/dbraw/zinc/42/98/25/944429825.db2.gz VJHUJBTVNUBTHQ-QWRGUYRKSA-N 1 0 284.743 1.120 20 10 CDCDRO Cc1c(CN2C[C@H]3C[NH2+]C[C@H]32)c2ccccc2n1C ZINC001236281911 944442395 /nfs/dbraw/zinc/44/23/95/944442395.db2.gz CHBWLIUHDRUKMT-MLGOLLRUSA-N 1 0 255.365 1.890 20 10 CDCDRO Oc1ccc(Br)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236289796 944448856 /nfs/dbraw/zinc/44/88/56/944448856.db2.gz QLAVDYRDESPTAW-MWLCHTKSSA-N 1 0 283.169 1.558 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC001236290201 944448949 /nfs/dbraw/zinc/44/89/49/944448949.db2.gz JHVDJFQOJTUPNX-UFBFGSQYSA-N 1 0 268.744 1.458 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236291674 944449683 /nfs/dbraw/zinc/44/96/83/944449683.db2.gz OEYFUWZBXNHHRR-TZMCWYRMSA-N 1 0 261.369 1.165 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(O)c1 ZINC001236789611 944567820 /nfs/dbraw/zinc/56/78/20/944567820.db2.gz CLGAXGYOFVTYRG-CQSZACIVSA-N 1 0 262.353 1.665 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001236808113 944576496 /nfs/dbraw/zinc/57/64/96/944576496.db2.gz MRRJUKDBBDQCPQ-INIZCTEOSA-N 1 0 290.363 1.421 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236817050 944579314 /nfs/dbraw/zinc/57/93/14/944579314.db2.gz CDWVRZKNTIDTMC-UHFFFAOYSA-N 1 0 266.341 1.277 20 10 CDCDRO COc1cc(C)c(C[NH+]2CCC(NC(N)=O)CC2)c(O)c1 ZINC001236818277 944581269 /nfs/dbraw/zinc/58/12/69/944581269.db2.gz KUSRZEYARCBUAR-UHFFFAOYSA-N 1 0 293.367 1.342 20 10 CDCDRO O=C1CC[N@H+](Cc2cc3ccccc3cc2O)CCN1 ZINC001236840935 944591116 /nfs/dbraw/zinc/59/11/16/944591116.db2.gz UIDXWLIESDULLJ-UHFFFAOYSA-N 1 0 270.332 1.867 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1cc(O)c(O)c(OC)c1 ZINC001236864613 944595816 /nfs/dbraw/zinc/59/58/16/944595816.db2.gz COIIUDQUAWKGOJ-JTQLQIEISA-N 1 0 254.330 1.276 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c(O)c1 ZINC001237041913 944644466 /nfs/dbraw/zinc/64/44/66/944644466.db2.gz PYNYRYBQBLOQMY-UHFFFAOYSA-N 1 0 292.379 1.878 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CC(C3COC3)C2)c1O ZINC001238058313 945045666 /nfs/dbraw/zinc/04/56/66/945045666.db2.gz QFCQVUJUSPKPIT-UHFFFAOYSA-N 1 0 251.301 1.918 20 10 CDCDRO CCC[NH+]1CCC(NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001258768553 945406366 /nfs/dbraw/zinc/40/63/66/945406366.db2.gz QRBFIMGKIUKYEQ-UHFFFAOYSA-N 1 0 292.379 1.745 20 10 CDCDRO Cn1ccc(-c2ccc(N3CC[C@H]([NH+](C)C)C3)nc2)cc1=O ZINC001240991703 946131077 /nfs/dbraw/zinc/13/10/77/946131077.db2.gz RYXWUMMHTJIFIT-HNNXBMFYSA-N 1 0 298.390 1.588 20 10 CDCDRO CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N)cc1 ZINC001262603714 946760054 /nfs/dbraw/zinc/76/00/54/946760054.db2.gz SGCVAAIWVJEOFJ-CQSZACIVSA-N 1 0 276.384 1.552 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CC3CCN(CC3)C2)cc1O ZINC001254831322 947611810 /nfs/dbraw/zinc/61/18/10/947611810.db2.gz LAURPPQMJRORFV-BBRMVZONSA-N 1 0 292.379 1.205 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](C)CC(=O)N2CCOCC2)c1O ZINC001256330182 948274746 /nfs/dbraw/zinc/27/47/46/948274746.db2.gz LSIUORDEFYZPAE-CYBMUJFWSA-N 1 0 292.379 1.428 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c(O)c1 ZINC001249171779 949435313 /nfs/dbraw/zinc/43/53/13/949435313.db2.gz FOFYLPZQRTUOJY-LBPRGKRZSA-N 1 0 293.363 1.576 20 10 CDCDRO CC[N@H+](CCOC)Cc1ccc(CC(=O)OC)cc1O ZINC001249172655 949441530 /nfs/dbraw/zinc/44/15/30/949441530.db2.gz OWHPSFPURSPAOV-UHFFFAOYSA-N 1 0 281.352 1.576 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC001249174032 949442710 /nfs/dbraw/zinc/44/27/10/949442710.db2.gz YEQAHUQDPJBJLU-RYUDHWBXSA-N 1 0 293.363 1.717 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](C(C)=O)C2)c(O)c1 ZINC001249215289 949458464 /nfs/dbraw/zinc/45/84/64/949458464.db2.gz ZLZWPUYTNYUYAA-ZDUSSCGKSA-N 1 0 291.347 1.519 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)[C@H]2CCCOC2)c(O)c1 ZINC001249218711 949464201 /nfs/dbraw/zinc/46/42/01/949464201.db2.gz ZSLNAYGACACMEZ-AWEZNQCLSA-N 1 0 293.363 1.719 20 10 CDCDRO CC[N@H+](C)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC001306908208 954075205 /nfs/dbraw/zinc/07/52/05/954075205.db2.gz DFRNAHQYBITBOY-VIFPVBQESA-N 1 0 282.315 1.403 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC001328724743 955442566 /nfs/dbraw/zinc/44/25/66/955442566.db2.gz KLXNCKQPTCJHJZ-LLVKDONJSA-N 1 0 264.373 1.109 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)c2ccn(C)n2)cc1OC ZINC001308813067 956585521 /nfs/dbraw/zinc/58/55/21/956585521.db2.gz NTLMZJXMFQWOJF-SNVBAGLBSA-N 1 0 291.351 1.994 20 10 CDCDRO Nc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC001335666634 959964503 /nfs/dbraw/zinc/96/45/03/959964503.db2.gz SHNGQAFQPXGJPC-ZDUSSCGKSA-N 1 0 262.357 1.210 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC001335726417 959991940 /nfs/dbraw/zinc/99/19/40/959991940.db2.gz RNKXNBCSGDKVHI-ZDUSSCGKSA-N 1 0 262.357 1.292 20 10 CDCDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC001336844391 960653049 /nfs/dbraw/zinc/65/30/49/960653049.db2.gz GMMVKARBXUKRGN-SMDDNHRTSA-N 1 0 288.395 1.693 20 10 CDCDRO C[C@@H](Cc1c[nH]cn1)C(=O)N(C)c1ccc(N)cc1 ZINC001341477329 963431509 /nfs/dbraw/zinc/43/15/09/963431509.db2.gz MALGMIJQRQGBBB-JTQLQIEISA-N 1 0 258.325 1.834 20 10 CDCDRO C[C@H](Cc1c[nH]cn1)C(=O)N(C)c1ccc(N)cc1 ZINC001341477332 963431576 /nfs/dbraw/zinc/43/15/76/963431576.db2.gz MALGMIJQRQGBBB-SNVBAGLBSA-N 1 0 258.325 1.834 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(Cc3cn[nH]c3)CC2)cc1 ZINC001348169405 965858209 /nfs/dbraw/zinc/85/82/09/965858209.db2.gz QMBPXQGKURLEAE-UHFFFAOYSA-N 1 0 299.422 1.794 20 10 CDCDRO O=C(NCc1cccc(O)c1O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001521852533 970367350 /nfs/dbraw/zinc/36/73/50/970367350.db2.gz WXYGCXZQSRJSOG-QWHCGFSZSA-N 1 0 290.363 1.731 20 10 CDCDRO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[NH2+]1 ZINC001576789476 1171520395 /nfs/dbraw/zinc/52/03/95/1171520395.db2.gz CYMIFAKZCRRTKA-VIFPVBQESA-N 1 0 275.312 1.283 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)C[NH2+]C1 ZINC001578489795 1171934409 /nfs/dbraw/zinc/93/44/09/1171934409.db2.gz MVPMNNPMOGFFCU-UHFFFAOYSA-N 1 0 287.407 1.855 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000178863330 342532728 /nfs/dbraw/zinc/53/27/28/342532728.db2.gz ISWNBIYGFSYDNN-NSHDSACASA-N 1 0 263.341 1.215 20 10 CDCDRO CCOc1cccc(C[N@H+](CCO)CCCOC)c1O ZINC000188926405 357953509 /nfs/dbraw/zinc/95/35/09/357953509.db2.gz DWQJCZVGFOQGRX-UHFFFAOYSA-N 1 0 283.368 1.622 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000193062828 358261449 /nfs/dbraw/zinc/26/14/49/358261449.db2.gz REMYXGOXBPQJCD-NSHDSACASA-N 1 0 278.352 1.702 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCOC2)cc1C ZINC000269974740 364407454 /nfs/dbraw/zinc/40/74/54/364407454.db2.gz LTGRBPYJJIEKLB-AWEZNQCLSA-N 1 0 251.326 1.250 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273558562 365508460 /nfs/dbraw/zinc/50/84/60/365508460.db2.gz HNCUWXHGSMCPAL-NEPJUHHUSA-N 1 0 253.342 1.667 20 10 CDCDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000281598992 367661632 /nfs/dbraw/zinc/66/16/32/367661632.db2.gz MANQKYPXSJEWQQ-KOLCDFICSA-N 1 0 257.305 1.579 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)NCCF)cc1C ZINC000282535329 367930507 /nfs/dbraw/zinc/93/05/07/367930507.db2.gz BSYBBCWXKJRYKW-LLVKDONJSA-N 1 0 268.332 1.573 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cccc(OC)c1O ZINC000282778433 368034107 /nfs/dbraw/zinc/03/41/07/368034107.db2.gz QDSKGNXYWHKIQN-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO CCOC[C@@H]1C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000529666984 368087146 /nfs/dbraw/zinc/08/71/46/368087146.db2.gz PVAOAUXHQNLSPO-AWEZNQCLSA-N 1 0 265.353 1.938 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1O ZINC000284235054 368506269 /nfs/dbraw/zinc/50/62/69/368506269.db2.gz VGJHSWXFUYFUIN-VXGBXAGGSA-N 1 0 283.393 1.868 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2([NH3+])CCC2)cc1F ZINC000295606785 371367439 /nfs/dbraw/zinc/36/74/39/371367439.db2.gz DIBKEALJMZLIPL-UHFFFAOYSA-N 1 0 265.332 1.389 20 10 CDCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000193588538 262224006 /nfs/dbraw/zinc/22/40/06/262224006.db2.gz DRIVEPKQWPJAID-FZMZJTMJSA-N 1 0 261.369 1.367 20 10 CDCDRO COCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC000179554889 391210232 /nfs/dbraw/zinc/21/02/32/391210232.db2.gz PNHQEIXGAPTRNZ-UHFFFAOYSA-N 1 0 250.342 1.156 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000179574447 391211489 /nfs/dbraw/zinc/21/14/89/391211489.db2.gz CVQMYEGYPGBUOD-AWEZNQCLSA-N 1 0 295.379 1.764 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCC(=O)N(C)C)c1O ZINC000228672747 391287877 /nfs/dbraw/zinc/28/78/77/391287877.db2.gz RCLKVCLLLVXHKF-UHFFFAOYSA-N 1 0 286.759 1.622 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](C)CC[S@](C)=O)c1 ZINC000164758114 391290854 /nfs/dbraw/zinc/29/08/54/391290854.db2.gz IRVGVIAJQGLVQS-MLCYQJTMSA-N 1 0 271.382 1.648 20 10 CDCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000195007487 391373911 /nfs/dbraw/zinc/37/39/11/391373911.db2.gz VAZFAXBPTPCLLY-QPUJVOFHSA-N 1 0 252.289 1.146 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000172921821 391858586 /nfs/dbraw/zinc/85/85/86/391858586.db2.gz NCKKVPPBYNTFRO-AWEZNQCLSA-N 1 0 265.353 1.856 20 10 CDCDRO CCOc1cccc(C[NH2+]C2CCN(C)CC2)c1O ZINC000037267144 173077968 /nfs/dbraw/zinc/07/79/68/173077968.db2.gz WKZJIJGSRMJFGA-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCOC2)cc1OC ZINC000160362815 261211944 /nfs/dbraw/zinc/21/19/44/261211944.db2.gz YCMDDCPVMURFIC-NSHDSACASA-N 1 0 281.352 1.878 20 10 CDCDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166457508 261390046 /nfs/dbraw/zinc/39/00/46/261390046.db2.gz UPOAUVRIHDGFCE-LBPRGKRZSA-N 1 0 299.415 1.588 20 10 CDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000187153001 262126904 /nfs/dbraw/zinc/12/69/04/262126904.db2.gz PSZFGKDUEBBWLA-LLVKDONJSA-N 1 0 278.352 1.512 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186202637 262312272 /nfs/dbraw/zinc/31/22/72/262312272.db2.gz XCCADAVDHANGON-QWRGUYRKSA-N 1 0 269.341 1.449 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000368132105 267146639 /nfs/dbraw/zinc/14/66/39/267146639.db2.gz DNVYQNSYRQCYDT-JTQLQIEISA-N 1 0 264.325 1.098 20 10 CDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000368133711 267147709 /nfs/dbraw/zinc/14/77/09/267147709.db2.gz KCGUTHSHYMNIAM-VIFPVBQESA-N 1 0 268.744 1.743 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000223946736 333214276 /nfs/dbraw/zinc/21/42/76/333214276.db2.gz TUFVLEZMEODTEK-GXTWGEPZSA-N 1 0 266.385 1.801 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2(CO)CCOCC2)cc1 ZINC000227213867 333278085 /nfs/dbraw/zinc/27/80/85/333278085.db2.gz NURVESUWKPCVSM-UHFFFAOYSA-N 1 0 264.369 1.384 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000230663287 333319990 /nfs/dbraw/zinc/31/99/90/333319990.db2.gz SZIVGHUJBGDCRM-WDEREUQCSA-N 1 0 269.341 1.449 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1COCCN1 ZINC000530180630 333527261 /nfs/dbraw/zinc/52/72/61/333527261.db2.gz DMGZCFDWXDDLIM-VIFPVBQESA-N 1 0 256.733 1.124 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1 ZINC000134653428 334099325 /nfs/dbraw/zinc/09/93/25/334099325.db2.gz FDIKGTRKRFNNQI-LBPRGKRZSA-N 1 0 262.353 1.801 20 10 CDCDRO CN(C(=O)c1ccccc1CC[NH3+])c1ccn(C)n1 ZINC000577407996 335349400 /nfs/dbraw/zinc/34/94/00/335349400.db2.gz ZHGCDZZDPLABOU-UHFFFAOYSA-N 1 0 258.325 1.198 20 10 CDCDRO CC[N@H+](CCNC(=O)NCc1ccccc1O)C1CC1 ZINC000263786555 521063274 /nfs/dbraw/zinc/06/32/74/521063274.db2.gz XMRPUDSMTFHRRE-UHFFFAOYSA-N 1 0 277.368 1.676 20 10 CDCDRO CC[C@H]([NH2+]CC1(CO)COC1)c1ccc(C)cc1O ZINC000280094036 522574444 /nfs/dbraw/zinc/57/44/44/522574444.db2.gz MSCHTBFOZZKBNB-ZDUSSCGKSA-N 1 0 265.353 1.750 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C3CC[NH2+]CC3)ccc21 ZINC000237128110 523859420 /nfs/dbraw/zinc/85/94/20/523859420.db2.gz OMIIRSORTQHDHZ-UHFFFAOYSA-N 1 0 287.407 1.685 20 10 CDCDRO C[C@H](CCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000097440201 524206302 /nfs/dbraw/zinc/20/63/02/524206302.db2.gz BGTBZDYOVSOHII-SECBINFHSA-N 1 0 253.298 1.229 20 10 CDCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c(F)ccc(O)c1O ZINC000276499063 524331658 /nfs/dbraw/zinc/33/16/58/524331658.db2.gz BVZMQDBJONVOEY-SNVBAGLBSA-N 1 0 296.342 1.841 20 10 CDCDRO Cc1cccc(C[NH2+][C@]2(CCO)CCOC2)c1O ZINC000278766188 524440551 /nfs/dbraw/zinc/44/05/51/524440551.db2.gz UFFPUFLZUHDFQT-CQSZACIVSA-N 1 0 251.326 1.332 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[S@@](=O)C1 ZINC000277311893 525014407 /nfs/dbraw/zinc/01/44/07/525014407.db2.gz BPGZPGCGYWZMOT-PIGZYNQJSA-N 1 0 253.367 1.593 20 10 CDCDRO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(F)ccc1O ZINC000289614709 525347680 /nfs/dbraw/zinc/34/76/80/525347680.db2.gz DGFFMQRWXOQUMN-JTQLQIEISA-N 1 0 294.330 1.356 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000131141415 525916769 /nfs/dbraw/zinc/91/67/69/525916769.db2.gz LILNWZSEKXJRPI-XTZNXHDOSA-N 1 0 271.382 1.600 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCOC1 ZINC000088687596 526432524 /nfs/dbraw/zinc/43/25/24/526432524.db2.gz BPYICTRRALLIEA-AWEZNQCLSA-N 1 0 262.353 1.402 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000289673812 526636936 /nfs/dbraw/zinc/63/69/36/526636936.db2.gz DFVHHUBQXPZCTI-CYBMUJFWSA-N 1 0 288.391 1.887 20 10 CDCDRO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000274915892 527484253 /nfs/dbraw/zinc/48/42/53/527484253.db2.gz KYLLVCQCEMGRKX-UHFFFAOYSA-N 1 0 275.283 1.173 20 10 CDCDRO OCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976408 527539961 /nfs/dbraw/zinc/53/99/61/527539961.db2.gz AIFMYUGCVWQZJR-CQSZACIVSA-N 1 0 265.353 1.756 20 10 CDCDRO OCc1cn(CCC[NH2+]Cc2c(O)cccc2Cl)nn1 ZINC000289865210 527640010 /nfs/dbraw/zinc/64/00/10/527640010.db2.gz ORTNLRMYOQXCEP-UHFFFAOYSA-N 1 0 296.758 1.309 20 10 CDCDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000731871252 575067288 /nfs/dbraw/zinc/06/72/88/575067288.db2.gz HYNHZXKTSRCCFF-SNVBAGLBSA-N 1 0 268.382 1.914 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H]1C ZINC000769516775 575354900 /nfs/dbraw/zinc/35/49/00/575354900.db2.gz RABLBKFBIYZFPP-GHMZBOCLSA-N 1 0 279.336 1.642 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CCN3CCC3)CC2)cc1 ZINC000773090863 575782002 /nfs/dbraw/zinc/78/20/02/575782002.db2.gz FZERIUQXYSQVOI-UHFFFAOYSA-N 1 0 289.423 1.959 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000765798041 576056614 /nfs/dbraw/zinc/05/66/14/576056614.db2.gz UKVWZQSVAHZLRZ-OLZOCXBDSA-N 1 0 262.353 1.705 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765797069 576056622 /nfs/dbraw/zinc/05/66/22/576056622.db2.gz PJFNSSOZOYUJNX-KBPBESRZSA-N 1 0 274.364 1.626 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000765795587 576056883 /nfs/dbraw/zinc/05/68/83/576056883.db2.gz KDDNUAQWJJCMHJ-QWRGUYRKSA-N 1 0 292.335 1.125 20 10 CDCDRO C[N@H+](CC(N)=O)Cc1cc(-c2ccccc2)ccc1O ZINC000768242704 576266643 /nfs/dbraw/zinc/26/66/43/576266643.db2.gz BPKCWMDTJBKSDZ-UHFFFAOYSA-N 1 0 270.332 1.976 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768448669 576284690 /nfs/dbraw/zinc/28/46/90/576284690.db2.gz WDCNPTTUZIFLJZ-NHYWBVRUSA-N 1 0 292.379 1.202 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000768453426 576285860 /nfs/dbraw/zinc/28/58/60/576285860.db2.gz WXIROHUHWVHMKC-NOZJJQNGSA-N 1 0 281.377 1.755 20 10 CDCDRO C[NH+]1CCC(CNC(=S)NCc2ccccc2O)CC1 ZINC000760476047 576487069 /nfs/dbraw/zinc/48/70/69/576487069.db2.gz IPSOALZHHSAFMV-UHFFFAOYSA-N 1 0 293.436 1.698 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000742376671 576599284 /nfs/dbraw/zinc/59/92/84/576599284.db2.gz BFHCDVWDWWHAFN-ZDUSSCGKSA-N 1 0 266.385 1.894 20 10 CDCDRO C[N@@H+]1CC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000743719611 576652512 /nfs/dbraw/zinc/65/25/12/576652512.db2.gz KYUCWHUHKJBQCH-CYBMUJFWSA-N 1 0 288.391 1.839 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCSC2)c(O)c1 ZINC000747621906 576877466 /nfs/dbraw/zinc/87/74/66/576877466.db2.gz GAZIXYJNMDNAJP-CQSZACIVSA-N 1 0 283.393 1.749 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(F)ccc1O ZINC000756511985 576993019 /nfs/dbraw/zinc/99/30/19/576993019.db2.gz UKFBWYLWHJMVCY-GWCFXTLKSA-N 1 0 283.343 1.969 20 10 CDCDRO CO[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254955 617391718 /nfs/dbraw/zinc/39/17/18/617391718.db2.gz KUMTWZRNRZJUSZ-IUODEOHRSA-N 1 0 293.411 1.506 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000892039401 617434688 /nfs/dbraw/zinc/43/46/88/617434688.db2.gz STFDZUKIUUDWDK-GOEBONIOSA-N 1 0 288.395 1.395 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C)c(O)c1OC ZINC000892720824 617648747 /nfs/dbraw/zinc/64/87/47/617648747.db2.gz GIYDOBONQHCRLR-GFCCVEGCSA-N 1 0 280.368 1.593 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1O ZINC000892294545 617708517 /nfs/dbraw/zinc/70/85/17/617708517.db2.gz ZZYMQTAAWCSANS-SRVKXCTJSA-N 1 0 277.368 1.893 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000934040398 617865182 /nfs/dbraw/zinc/86/51/82/617865182.db2.gz ONAYHYXFVHSCCF-ZIAGYGMSSA-N 1 0 297.326 1.627 20 10 CDCDRO CCONC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000894276143 618407739 /nfs/dbraw/zinc/40/77/39/618407739.db2.gz OXSSMCZQSSQIAH-CQSZACIVSA-N 1 0 294.399 1.606 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](O)C2CCC2)c(O)c1OC ZINC000894775857 619049961 /nfs/dbraw/zinc/04/99/61/619049961.db2.gz FLVOHQYLYZVHMB-LBPRGKRZSA-N 1 0 281.352 1.660 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2cc(C)cc(OC)c2O)CC1=O ZINC000895148386 619357214 /nfs/dbraw/zinc/35/72/14/619357214.db2.gz GSJZWDIKMZKEKA-LBPRGKRZSA-N 1 0 292.379 1.667 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1F ZINC000895317600 619549546 /nfs/dbraw/zinc/54/95/46/619549546.db2.gz XPUZQOXGXWGPTM-CYBMUJFWSA-N 1 0 279.359 1.506 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895784803 619841589 /nfs/dbraw/zinc/84/15/89/619841589.db2.gz MUIIOEFMFBBCCR-YUTCNCBUSA-N 1 0 277.364 1.994 20 10 CDCDRO CCc1cccc(C[NH2+]CCO[C@@H]2CCOC2)c1O ZINC000897202498 620414791 /nfs/dbraw/zinc/41/47/91/620414791.db2.gz SVNWGLRKDZYFBI-CQSZACIVSA-N 1 0 265.353 1.850 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897684686 621073052 /nfs/dbraw/zinc/07/30/52/621073052.db2.gz VEXIDDYYVOLFPN-HZMBPMFUSA-N 1 0 251.326 1.604 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1cccc(OCC)c1O ZINC000841065969 621659015 /nfs/dbraw/zinc/65/90/15/621659015.db2.gz OYCVGHZKIMPXHG-LLVKDONJSA-N 1 0 252.358 1.879 20 10 CDCDRO CNC(=S)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899724283 622386439 /nfs/dbraw/zinc/38/64/39/622386439.db2.gz LXAFACTXANPEOQ-CYBMUJFWSA-N 1 0 280.441 1.449 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C)C2)c1 ZINC000042544479 624494528 /nfs/dbraw/zinc/49/45/28/624494528.db2.gz XWLLTLJUKSCESQ-MNOVXSKESA-N 1 0 250.342 1.756 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCN2CCCOCC2)c1O ZINC000903226521 625898131 /nfs/dbraw/zinc/89/81/31/625898131.db2.gz GRCRFUMAUULUEI-ZDUSSCGKSA-N 1 0 294.395 1.774 20 10 CDCDRO C[C@H](C(=O)NCc1ccc(O)cc1O)[NH+]1CCCCCC1 ZINC000910953394 629115944 /nfs/dbraw/zinc/11/59/44/629115944.db2.gz AIRASMSHCLDIBT-GFCCVEGCSA-N 1 0 292.379 1.979 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1F ZINC000841098022 630550313 /nfs/dbraw/zinc/55/03/13/630550313.db2.gz ABGWGTWNPNVRKP-CQSZACIVSA-N 1 0 295.402 1.750 20 10 CDCDRO COCCOCC[NH2+]Cc1cc(Cl)ccc1O ZINC000044693661 630554247 /nfs/dbraw/zinc/55/42/47/630554247.db2.gz HEJCZWKBBMCRFC-UHFFFAOYSA-N 1 0 259.733 1.798 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C)C(C)(C)C2)c1O ZINC000211404316 630804741 /nfs/dbraw/zinc/80/47/41/630804741.db2.gz MJJXRBUIOVTHKM-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000870988715 1165249366 /nfs/dbraw/zinc/24/93/66/1165249366.db2.gz XNGDEOATOKECQJ-WXHSDQCUSA-N 1 0 262.353 1.958 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)CN2CCOCC2)c(O)c1 ZINC000876932526 1165942209 /nfs/dbraw/zinc/94/22/09/1165942209.db2.gz OJHPUUWEARFGDD-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO C[C@@]([NH3+])(C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001576086657 1171328463 /nfs/dbraw/zinc/32/84/63/1171328463.db2.gz XJVPYLAMLVLQNG-INIZCTEOSA-N 1 0 286.331 1.588 20 10 CDCDRO COc1c(O)c(CN[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)ccc1[N+](=O)[O-] ZINC001579136815 1172103777 /nfs/dbraw/zinc/10/37/77/1172103777.db2.gz ULOZLVBMODEBQE-VWYCJHECSA-N 1 0 293.323 1.292 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N2CC3(C2)CC[NH2+]C3)cc1OC ZINC001579160394 1172109630 /nfs/dbraw/zinc/10/96/30/1172109630.db2.gz PBTPKBIWMWKKOI-UHFFFAOYSA-N 1 0 293.323 1.412 20 10 CDCDRO COc1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000133903927 1175810748 /nfs/dbraw/zinc/81/07/48/1175810748.db2.gz SIZMYQJCGASNEM-LLVKDONJSA-N 1 0 250.342 1.537 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000221109619 1177914944 /nfs/dbraw/zinc/91/49/44/1177914944.db2.gz BRGDNWQKCXRMDC-MNOVXSKESA-N 1 0 298.408 1.388 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000221109672 1177915371 /nfs/dbraw/zinc/91/53/71/1177915371.db2.gz BRGDNWQKCXRMDC-WDEREUQCSA-N 1 0 298.408 1.388 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876798690 739329875 /nfs/dbraw/zinc/32/98/75/739329875.db2.gz LLBBFIHRRNYQOM-NSHDSACASA-N 1 0 250.342 1.515 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000841937208 739530241 /nfs/dbraw/zinc/53/02/41/739530241.db2.gz PEBJAOKZHQMCDW-GHMZBOCLSA-N 1 0 293.367 1.513 20 10 CDCDRO Cc1cc(O)c(CN2CC[N@@H+](C)C[C@H]2CO)cc1Cl ZINC000877643864 739445242 /nfs/dbraw/zinc/44/52/42/739445242.db2.gz KITNTGDYMWHAQV-LBPRGKRZSA-N 1 0 284.787 1.462 20 10 CDCDRO COc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)c(O)c1 ZINC000841923149 739384043 /nfs/dbraw/zinc/38/40/43/739384043.db2.gz YBYZBQJYMZFDCC-LBPRGKRZSA-N 1 0 293.367 1.342 20 10 CDCDRO CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835568 739622856 /nfs/dbraw/zinc/62/28/56/739622856.db2.gz VAIKWIFHHFQDNJ-LLVKDONJSA-N 1 0 292.383 1.249 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@@H](C)CO)CC2)c(OC)c1 ZINC000879461678 739771712 /nfs/dbraw/zinc/77/17/12/739771712.db2.gz FWDDUQLVYSDQEA-CYBMUJFWSA-N 1 0 294.395 1.454 20 10 CDCDRO CO[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785558296 739815082 /nfs/dbraw/zinc/81/50/82/739815082.db2.gz DZXRAZGBDDQTMB-LBPRGKRZSA-N 1 0 282.359 1.787 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846154547 739833779 /nfs/dbraw/zinc/83/37/79/739833779.db2.gz NSVDKMJLAHWSEQ-WDEREUQCSA-N 1 0 290.363 1.815 20 10 CDCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858161724 739853571 /nfs/dbraw/zinc/85/35/71/739853571.db2.gz DIFAQPMYQRVZAF-XPTSAGLGSA-N 1 0 297.349 1.645 20 10 CDCDRO CN(C)c1ccc(CN[C@H](C[NH3+])C2CC2)cc1F ZINC000841027680 739859115 /nfs/dbraw/zinc/85/91/15/739859115.db2.gz FFYSJLCFDRLRFF-CYBMUJFWSA-N 1 0 251.349 1.719 20 10 CDCDRO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c(O)c1O ZINC000179480090 740159940 /nfs/dbraw/zinc/15/99/40/740159940.db2.gz SJQBZOQMOKAUMN-LBPRGKRZSA-N 1 0 292.379 1.963 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000877052197 740219851 /nfs/dbraw/zinc/21/98/51/740219851.db2.gz QEBKKUJGPIZJEU-LBPRGKRZSA-N 1 0 262.353 1.800 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC[S@@](C)=O ZINC000840934688 740224031 /nfs/dbraw/zinc/22/40/31/740224031.db2.gz VPRVVWQZCQBYAG-GOSISDBHSA-N 1 0 268.426 1.919 20 10 CDCDRO C[NH2+]CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817939276 740263061 /nfs/dbraw/zinc/26/30/61/740263061.db2.gz BVUMMJCUDWNTFD-SECBINFHSA-N 1 0 253.302 1.561 20 10 CDCDRO C[C@@H](CCO)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844445314 740263627 /nfs/dbraw/zinc/26/36/27/740263627.db2.gz BCPUMACQLHIQLK-ZDUSSCGKSA-N 1 0 293.411 1.072 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000831193135 740286385 /nfs/dbraw/zinc/28/63/85/740286385.db2.gz DFKCOTZVXFAKMQ-AWEZNQCLSA-N 1 0 288.395 1.253 20 10 CDCDRO C[NH2+]C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000853249028 740323021 /nfs/dbraw/zinc/32/30/21/740323021.db2.gz BGNPIXXMUVTFGT-GFCCVEGCSA-N 1 0 281.375 1.360 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN(C)CC(F)F ZINC000877661895 740397857 /nfs/dbraw/zinc/39/78/57/740397857.db2.gz JNRGZQAEYVWRQV-UHFFFAOYSA-N 1 0 258.312 1.987 20 10 CDCDRO CC[C@H]([NH2+]C[C@](C)(O)COC)c1ccccc1O ZINC000382563265 740451336 /nfs/dbraw/zinc/45/13/36/740451336.db2.gz MQXHDOJWDCUFOA-JSGCOSHPSA-N 1 0 253.342 1.830 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CC(N)=O)cc1Cl ZINC000825352902 740479767 /nfs/dbraw/zinc/47/97/67/740479767.db2.gz JYALDWADOOELOM-QMMMGPOBSA-N 1 0 256.733 1.708 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868807 740505719 /nfs/dbraw/zinc/50/57/19/740505719.db2.gz OPFUNCNWALPZEQ-GFCCVEGCSA-N 1 0 291.395 1.001 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000841651924 740644239 /nfs/dbraw/zinc/64/42/39/740644239.db2.gz CFPSPHDSSLLMQL-BXUZGUMPSA-N 1 0 276.384 1.241 20 10 CDCDRO CC[NH2+]CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843489989 740624445 /nfs/dbraw/zinc/62/44/45/740624445.db2.gz PRYVEINHVZTKEW-UHFFFAOYSA-N 1 0 262.353 1.497 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1ccccc1O ZINC000879648054 740806370 /nfs/dbraw/zinc/80/63/70/740806370.db2.gz XFYZKNXDLVMOGV-VXGBXAGGSA-N 1 0 278.352 1.338 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000841988176 740897065 /nfs/dbraw/zinc/89/70/65/740897065.db2.gz ZHSQCQPIGHCEIC-MNOVXSKESA-N 1 0 295.383 1.759 20 10 CDCDRO CC[S@](=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840934360 740936037 /nfs/dbraw/zinc/93/60/37/740936037.db2.gz PIFUKYJBAMBVLL-SFHVURJKSA-N 1 0 268.426 1.919 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)cc1 ZINC000876905362 741002189 /nfs/dbraw/zinc/00/21/89/741002189.db2.gz GRJKAFVDALQHAR-CYBMUJFWSA-N 1 0 261.369 1.511 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000826994572 741013933 /nfs/dbraw/zinc/01/39/33/741013933.db2.gz KWHUXCXVIJIRND-NSHDSACASA-N 1 0 292.335 1.427 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000852855617 741118246 /nfs/dbraw/zinc/11/82/46/741118246.db2.gz KQEDOIMFHCRULU-AWEZNQCLSA-N 1 0 275.396 1.757 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC2)c1 ZINC000135727270 741126246 /nfs/dbraw/zinc/12/62/46/741126246.db2.gz LLBYJTYLUMPRMZ-NXEZZACHSA-N 1 0 278.352 1.719 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000790708034 741160959 /nfs/dbraw/zinc/16/09/59/741160959.db2.gz UHFULSMOGLKVBY-UHFFFAOYSA-N 1 0 266.341 1.560 20 10 CDCDRO C[C@@H]1[C@@H](C)N(C(=O)c2cccc(O)c2O)CCN1C ZINC000790911699 741425160 /nfs/dbraw/zinc/42/51/60/741425160.db2.gz KOAADBNDQHLVJN-NXEZZACHSA-N 1 0 264.325 1.262 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841860341 741440254 /nfs/dbraw/zinc/44/02/54/741440254.db2.gz NJPLIAKZWSHUHB-UHFFFAOYSA-N 1 0 258.325 1.523 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000817418633 741459615 /nfs/dbraw/zinc/45/96/15/741459615.db2.gz ACARHVMVBBZFNS-LBPRGKRZSA-N 1 0 273.340 1.182 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000856812549 741469259 /nfs/dbraw/zinc/46/92/59/741469259.db2.gz ZYHDHYYLYVBHQV-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CC1=O ZINC000706852121 741603730 /nfs/dbraw/zinc/60/37/30/741603730.db2.gz QSOBITHGQYOXKO-QMMMGPOBSA-N 1 0 299.168 1.475 20 10 CDCDRO C[NH+](C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000171383586 741818947 /nfs/dbraw/zinc/81/89/47/741818947.db2.gz XFAHTPSIYDFQNT-UHFFFAOYSA-N 1 0 293.436 1.418 20 10 CDCDRO C[C@H](NC(=O)N1CCC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841883970 741847999 /nfs/dbraw/zinc/84/79/99/741847999.db2.gz XHAMWRDABOZKAO-JSGCOSHPSA-N 1 0 290.411 1.946 20 10 CDCDRO CCC[NH2+][C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666405 741869641 /nfs/dbraw/zinc/86/96/41/741869641.db2.gz CHRRNDUBLKDVFQ-WDEREUQCSA-N 1 0 280.368 1.966 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000776249072 741877621 /nfs/dbraw/zinc/87/76/21/741877621.db2.gz SCBBUNJDVAYSAO-GFCCVEGCSA-N 1 0 291.347 1.935 20 10 CDCDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000776520988 741945113 /nfs/dbraw/zinc/94/51/13/741945113.db2.gz RZNNLYKFFXEGCA-OAHLLOKOSA-N 1 0 281.352 1.575 20 10 CDCDRO COc1cccc(C[N@H+](CCO)C2CCN(C)CC2)c1O ZINC000305194241 741994181 /nfs/dbraw/zinc/99/41/81/741994181.db2.gz KSFXUIPVBQTLPC-UHFFFAOYSA-N 1 0 294.395 1.289 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+]2CCC(=O)N(C)CC2)c1O ZINC000827359879 742005886 /nfs/dbraw/zinc/00/58/86/742005886.db2.gz UWRZJLQNKVWOOP-UHFFFAOYSA-N 1 0 298.770 1.718 20 10 CDCDRO COc1ccc(C[NH2+]CCCc2cnn(C)c2)c(O)c1 ZINC000237134409 742238984 /nfs/dbraw/zinc/23/89/84/742238984.db2.gz FABBYHKQUCENAJ-UHFFFAOYSA-N 1 0 275.352 1.857 20 10 CDCDRO CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC000834646326 742256242 /nfs/dbraw/zinc/25/62/42/742256242.db2.gz CLIBLNRAESCSNU-TZMCWYRMSA-N 1 0 261.369 1.397 20 10 CDCDRO COC1CCN(CC[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877157301 742279215 /nfs/dbraw/zinc/27/92/15/742279215.db2.gz CRHURFIPHSWHHH-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CN(C)C)c(O)c1 ZINC000788593176 742169356 /nfs/dbraw/zinc/16/93/56/742169356.db2.gz FUDIBJIWDKGHQO-OLZOCXBDSA-N 1 0 266.385 1.582 20 10 CDCDRO C[C@@H](NC(=O)NCC[NH2+]C1CC1)c1ccc(N(C)C)cc1 ZINC000841882849 742188137 /nfs/dbraw/zinc/18/81/37/742188137.db2.gz OWBMSHXCPLLPNI-GFCCVEGCSA-N 1 0 290.411 1.865 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000840921490 742444726 /nfs/dbraw/zinc/44/47/26/742444726.db2.gz TYUKZIJDFNYRGR-ZDUSSCGKSA-N 1 0 276.384 1.304 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000851681018 739272667 /nfs/dbraw/zinc/27/26/67/739272667.db2.gz LYBKIFXPRLSZBD-NXEZZACHSA-N 1 0 281.356 1.369 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877046386 739349769 /nfs/dbraw/zinc/34/97/69/739349769.db2.gz MVNDQITYCDFELZ-CYBMUJFWSA-N 1 0 264.369 1.511 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000718146920 739453567 /nfs/dbraw/zinc/45/35/67/739453567.db2.gz VSAAXYBSZJQTOB-TXEJJXNPSA-N 1 0 279.311 1.812 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1O ZINC000877525922 739516210 /nfs/dbraw/zinc/51/62/10/739516210.db2.gz MXZFAMNCCOFFTG-AAEUAGOBSA-N 1 0 292.379 1.938 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093899068 739532890 /nfs/dbraw/zinc/53/28/90/739532890.db2.gz VWBPRTBRLBNJRM-SECBINFHSA-N 1 0 270.760 1.860 20 10 CDCDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000712585618 739743217 /nfs/dbraw/zinc/74/32/17/739743217.db2.gz HDIUPBUNJXQINM-LLVKDONJSA-N 1 0 285.185 1.948 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000817961848 739809939 /nfs/dbraw/zinc/80/99/39/739809939.db2.gz DOSBEZKGQHUCGR-VHSXEESVSA-N 1 0 266.341 1.424 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[NH+](C)C)c1 ZINC000104900662 739902255 /nfs/dbraw/zinc/90/22/55/739902255.db2.gz UNYVYTGSXZUGTB-VIFPVBQESA-N 1 0 252.314 1.140 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CCOCC2)cc1 ZINC000832292772 739974615 /nfs/dbraw/zinc/97/46/15/739974615.db2.gz MIECVPVHPGICKV-HNNXBMFYSA-N 1 0 291.395 1.295 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775833940 740049628 /nfs/dbraw/zinc/04/96/28/740049628.db2.gz HYOBVOOKPXNYLO-GFCCVEGCSA-N 1 0 299.440 1.343 20 10 CDCDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000165603850 740054849 /nfs/dbraw/zinc/05/48/49/740054849.db2.gz HTTFBHKXJAAULY-CQSZACIVSA-N 1 0 261.369 1.268 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(Cl)cc1O ZINC000858606127 740275757 /nfs/dbraw/zinc/27/57/57/740275757.db2.gz ICHXAOXHVZQDCR-PWSUYJOCSA-N 1 0 284.787 1.763 20 10 CDCDRO Cc1cc(C[N@H+](C)[C@@]2(CO)CCOC2)ccc1N(C)C ZINC000815086498 740371733 /nfs/dbraw/zinc/37/17/33/740371733.db2.gz KVBVGTDIEGGLCO-MRXNPFEDSA-N 1 0 278.396 1.644 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666211 740496445 /nfs/dbraw/zinc/49/64/45/740496445.db2.gz BVLMDAAUXHLRDG-NXEZZACHSA-N 1 0 266.341 1.434 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000382570592 740716751 /nfs/dbraw/zinc/71/67/51/740716751.db2.gz QVZOPCDYCOEEDO-DOMZBBRYSA-N 1 0 266.385 1.801 20 10 CDCDRO Cc1cc(CN(C)Cc2cn(C)nn2)ccc1N(C)C ZINC000852553166 740758177 /nfs/dbraw/zinc/75/81/77/740758177.db2.gz MSPNCYDYWSPGFU-UHFFFAOYSA-N 1 0 273.384 1.822 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831173148 740841848 /nfs/dbraw/zinc/84/18/48/740841848.db2.gz OAQHSNBOLPOFRJ-CQSZACIVSA-N 1 0 289.379 1.676 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CS(C)(=O)=O)c1 ZINC000391577139 740917589 /nfs/dbraw/zinc/91/75/89/740917589.db2.gz FKBZNSKBXHNGBN-UHFFFAOYSA-N 1 0 287.381 1.314 20 10 CDCDRO CN(C)c1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000818942017 740951859 /nfs/dbraw/zinc/95/18/59/740951859.db2.gz VUZZQYXZGSRSEJ-INIZCTEOSA-N 1 0 277.412 1.297 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](CO)(COC)C2)cc1 ZINC000832399917 740962688 /nfs/dbraw/zinc/96/26/88/740962688.db2.gz HMIKQDIBDWUASZ-KRWDZBQOSA-N 1 0 292.423 1.974 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(C(=O)NOC)CC2)c1O ZINC000877786075 741201281 /nfs/dbraw/zinc/20/12/81/741201281.db2.gz SUKJZEUYJATXLB-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000877460610 741385571 /nfs/dbraw/zinc/38/55/71/741385571.db2.gz RMINJOUKHVYLMS-CQSZACIVSA-N 1 0 292.423 1.978 20 10 CDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179932961 741565515 /nfs/dbraw/zinc/56/55/15/741565515.db2.gz PEKCEDXKMGWOEB-CYBMUJFWSA-N 1 0 266.316 1.632 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000717766231 741654664 /nfs/dbraw/zinc/65/46/64/741654664.db2.gz BNMMMWAABLMDIS-SECBINFHSA-N 1 0 279.258 1.804 20 10 CDCDRO COCC[C@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000775032771 741660897 /nfs/dbraw/zinc/66/08/97/741660897.db2.gz KDGVFVLAXUCOLN-AWEZNQCLSA-N 1 0 251.326 1.677 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000877022714 741760859 /nfs/dbraw/zinc/76/08/59/741760859.db2.gz QPNZZALTXCWWNW-KBPBESRZSA-N 1 0 276.380 1.653 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1ccc(C)cc1O ZINC000876577728 741872336 /nfs/dbraw/zinc/87/23/36/741872336.db2.gz LUOUBNUYDBCFLS-UHFFFAOYSA-N 1 0 250.342 1.611 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000825067959 741974548 /nfs/dbraw/zinc/97/45/48/741974548.db2.gz HLLSHIVBTKGDGG-NSHDSACASA-N 1 0 250.342 1.623 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000852896085 741979248 /nfs/dbraw/zinc/97/92/48/741979248.db2.gz RVRPOVBSOWILMC-JOCQHMNTSA-N 1 0 291.395 1.327 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)c(O)c1 ZINC000827500641 742022437 /nfs/dbraw/zinc/02/24/37/742022437.db2.gz GGCSMRUWLPKHKQ-TXEJJXNPSA-N 1 0 279.336 1.832 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1=O ZINC000922639836 742039920 /nfs/dbraw/zinc/03/99/20/742039920.db2.gz PRGSBINBRAFUBQ-LLVKDONJSA-N 1 0 292.335 1.221 20 10 CDCDRO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000800533349 742050405 /nfs/dbraw/zinc/05/04/05/742050405.db2.gz BCROWLRPGIFZBU-ZDUSSCGKSA-N 1 0 283.393 1.791 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818942330 742092528 /nfs/dbraw/zinc/09/25/28/742092528.db2.gz YZXSFKVCOAWYJI-OAHLLOKOSA-N 1 0 266.385 1.630 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2COCCO2)c1O ZINC000228671586 742171429 /nfs/dbraw/zinc/17/14/29/742171429.db2.gz UMWGRNFBFOYFNA-LLVKDONJSA-N 1 0 287.743 1.559 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCc1ccc(N)cc1 ZINC000841744790 742299586 /nfs/dbraw/zinc/29/95/86/742299586.db2.gz SWMKECPHXHOSEB-ZDUSSCGKSA-N 1 0 292.427 1.841 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CC)C(=O)NC)c(O)c1 ZINC000825316545 742388107 /nfs/dbraw/zinc/38/81/07/742388107.db2.gz PPQHZWVSZZJSPF-LBPRGKRZSA-N 1 0 266.341 1.405 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(CC)C2)c1 ZINC000824886870 742423348 /nfs/dbraw/zinc/42/33/48/742423348.db2.gz MMBYQHIOUKZDAV-LBPRGKRZSA-N 1 0 278.352 1.501 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000846171935 742491376 /nfs/dbraw/zinc/49/13/76/742491376.db2.gz JPNRBSUHHXLAFI-UHFFFAOYSA-N 1 0 290.411 1.582 20 10 CDCDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654030 742494178 /nfs/dbraw/zinc/49/41/78/742494178.db2.gz LYIGJCBVUWMDQJ-GXTWGEPZSA-N 1 0 290.411 1.631 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841823620 742546978 /nfs/dbraw/zinc/54/69/78/742546978.db2.gz DRFNEOXFNMFMFC-CYBMUJFWSA-N 1 0 278.400 1.598 20 10 CDCDRO CC(C)N(C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000054111490 742552665 /nfs/dbraw/zinc/55/26/65/742552665.db2.gz CYZGCEKJHMQUGE-UHFFFAOYSA-N 1 0 266.341 1.551 20 10 CDCDRO C[C@H]([NH3+])[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000220331092 742783492 /nfs/dbraw/zinc/78/34/92/742783492.db2.gz JPVANDYIRPXECW-TVQRCGJNSA-N 1 0 254.305 1.079 20 10 CDCDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc2c(cc1O)OCO2 ZINC000846699517 742814886 /nfs/dbraw/zinc/81/48/86/742814886.db2.gz UCJNJBZCZOAQCY-KOLCDFICSA-N 1 0 264.325 1.433 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1 ZINC000168828990 742822303 /nfs/dbraw/zinc/82/23/03/742822303.db2.gz GVEGHMYVEIYNDE-DTWKUNHWSA-N 1 0 252.314 1.315 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000842644248 742822779 /nfs/dbraw/zinc/82/27/79/742822779.db2.gz UGGUFTTUGKUNCS-OCCSQVGLSA-N 1 0 290.363 1.939 20 10 CDCDRO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000694584270 898556109 /nfs/dbraw/zinc/55/61/09/898556109.db2.gz MMKFIYFCAVOMNL-AWEZNQCLSA-N 1 0 295.404 1.678 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140360 899778666 /nfs/dbraw/zinc/77/86/66/899778666.db2.gz KWCIKIMZHNEAIZ-ZDUSSCGKSA-N 1 0 290.363 1.510 20 10 CDCDRO O=C1CC[C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)CCN12 ZINC001172148784 911361988 /nfs/dbraw/zinc/36/19/88/911361988.db2.gz BVCUPMACFLKLKB-GJZGRUSLSA-N 1 0 286.375 1.865 20 10 CDCDRO CC1(C)C[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CO1 ZINC001172272388 911488544 /nfs/dbraw/zinc/48/85/44/911488544.db2.gz ZAKXFDUSEKBNMV-SNVBAGLBSA-N 1 0 267.325 1.503 20 10 CDCDRO CC(C)OCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172431636 911665222 /nfs/dbraw/zinc/66/52/22/911665222.db2.gz PRKRASCWAQMLTH-IAQYHMDHSA-N 1 0 283.368 1.924 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)ccc1N(C)C ZINC001139669573 936319814 /nfs/dbraw/zinc/31/98/14/936319814.db2.gz BEDUQKCRELTIOH-ZFWWWQNUSA-N 1 0 266.360 1.966 20 10 CDCDRO Cc1c(CN2CCNC(=O)[C@H]2C)c2ccccc2n1C ZINC001138256795 936503392 /nfs/dbraw/zinc/50/33/92/936503392.db2.gz LCRRWNMFEZTICV-GFCCVEGCSA-N 1 0 271.364 1.807 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001138496500 936543165 /nfs/dbraw/zinc/54/31/65/936543165.db2.gz RTWKBFJODGHKLP-IAGOWNOFSA-N 1 0 288.391 1.886 20 10 CDCDRO Oc1ccccc1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001203557137 919404114 /nfs/dbraw/zinc/40/41/14/919404114.db2.gz ZTERVDSMQOBWOL-LBPRGKRZSA-N 1 0 250.317 1.620 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001203558314 919484418 /nfs/dbraw/zinc/48/44/18/919484418.db2.gz DARHMKZAPYMBBP-LBPRGKRZSA-N 1 0 268.307 1.917 20 10 CDCDRO Nc1ncnc(Cl)c1CN1CCc2cccc(O)c2C1 ZINC001139441674 936621459 /nfs/dbraw/zinc/62/14/59/936621459.db2.gz JBVJIKMNOCYGEE-UHFFFAOYSA-N 1 0 290.754 1.976 20 10 CDCDRO OCCCN1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834851270 936708996 /nfs/dbraw/zinc/70/89/96/936708996.db2.gz WBTGTMCZIWTVGK-GJZGRUSLSA-N 1 0 290.407 1.816 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1 ZINC001140624377 936732498 /nfs/dbraw/zinc/73/24/98/936732498.db2.gz ULTVJMZZIUPYQO-AWEZNQCLSA-N 1 0 274.364 1.897 20 10 CDCDRO Cc1ccc(C[N@H+]2CCc3nncn3CC2)c(O)c1 ZINC001140947728 936782137 /nfs/dbraw/zinc/78/21/37/936782137.db2.gz CRRCTSBSYLWDGP-UHFFFAOYSA-N 1 0 258.325 1.350 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(C)cc1O ZINC001140950667 936783442 /nfs/dbraw/zinc/78/34/42/936783442.db2.gz BFQRZTCFEOCIJW-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO CC(=O)N1CCC([N@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141159970 936822537 /nfs/dbraw/zinc/82/25/37/936822537.db2.gz NOLRCPITBIZRNC-UHFFFAOYSA-N 1 0 278.352 1.541 20 10 CDCDRO CCOC(=O)C1(F)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141158487 936821992 /nfs/dbraw/zinc/82/19/92/936821992.db2.gz AXTWNVOZWPQOIC-UHFFFAOYSA-N 1 0 297.326 1.965 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140358 936818649 /nfs/dbraw/zinc/81/86/49/936818649.db2.gz KWCIKIMZHNEAIZ-CYBMUJFWSA-N 1 0 290.363 1.510 20 10 CDCDRO CC[NH+](CC)CCNC(=O)c1cc(O)c(O)c(OC)c1 ZINC001193081393 923430863 /nfs/dbraw/zinc/43/08/63/923430863.db2.gz LNNPXDNVJHXDJR-UHFFFAOYSA-N 1 0 282.340 1.178 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000840959033 936969740 /nfs/dbraw/zinc/96/97/40/936969740.db2.gz XESKGOCLTFCUQO-LLVKDONJSA-N 1 0 278.352 1.311 20 10 CDCDRO CC(C)[C@H]([NH3+])CNCc1ccc(N(C)C)c(F)c1 ZINC000841028860 936971820 /nfs/dbraw/zinc/97/18/20/936971820.db2.gz JCAQTZBDSRCLKT-CYBMUJFWSA-N 1 0 253.365 1.965 20 10 CDCDRO CCc1cccc(C[NH2+]CCS(=O)(=O)CC)c1O ZINC000691499734 929064219 /nfs/dbraw/zinc/06/42/19/929064219.db2.gz ICJLXBLTXSCJOM-UHFFFAOYSA-N 1 0 271.382 1.479 20 10 CDCDRO COc1ccc(O)c([C@H](C)N[C@H]2CCC[NH2+]C2)c1 ZINC000817941779 930638164 /nfs/dbraw/zinc/63/81/64/930638164.db2.gz RMXOIAOOZCIGCP-QWRGUYRKSA-N 1 0 250.342 1.803 20 10 CDCDRO COc1ccc(O)c(CN2CC3(C2)CC[N@H+](C)C3)c1 ZINC001275278967 931722139 /nfs/dbraw/zinc/72/21/39/931722139.db2.gz SBIROTXFTWKGLR-UHFFFAOYSA-N 1 0 262.353 1.538 20 10 CDCDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144504562 931865223 /nfs/dbraw/zinc/86/52/23/931865223.db2.gz VFWVZHYGKWDENE-NXEZZACHSA-N 1 0 295.335 1.577 20 10 CDCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514540 931877256 /nfs/dbraw/zinc/87/72/56/931877256.db2.gz KDTHZUJOAICDTQ-DTWKUNHWSA-N 1 0 253.298 1.149 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@H]1C ZINC001144514781 931877946 /nfs/dbraw/zinc/87/79/46/931877946.db2.gz RUFURCOBIKCLQT-GXSJLCMTSA-N 1 0 295.335 1.577 20 10 CDCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001118179610 937599010 /nfs/dbraw/zinc/59/90/10/937599010.db2.gz ZUVCAPYXLDHDGM-KBPBESRZSA-N 1 0 292.423 1.754 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CCNC1=O ZINC001119376680 937714623 /nfs/dbraw/zinc/71/46/23/937714623.db2.gz ZJDCJZBBBQWSRH-VXGBXAGGSA-N 1 0 289.379 1.864 20 10 CDCDRO CCOc1cccc(C[NH2+]C2CCN(OC)CC2)c1O ZINC000692124710 934549068 /nfs/dbraw/zinc/54/90/68/934549068.db2.gz POFFICCCTLXYDC-UHFFFAOYSA-N 1 0 280.368 1.906 20 10 CDCDRO Oc1ccc(CNc2cc3c(nn2)CC[NH2+]C3)cc1O ZINC001158997845 938686540 /nfs/dbraw/zinc/68/65/40/938686540.db2.gz QIOHWEYYCHCDDP-UHFFFAOYSA-N 1 0 272.308 1.146 20 10 CDCDRO Cc1cccc(CNS(=O)(=O)CC2CC[NH2+]CC2)c1O ZINC001238766048 945245206 /nfs/dbraw/zinc/24/52/06/945245206.db2.gz NSWOGVBWMNFLJO-UHFFFAOYSA-N 1 0 298.408 1.120 20 10 CDCDRO CC(C)N(CCC[NH3+])c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC001164123105 939413700 /nfs/dbraw/zinc/41/37/00/939413700.db2.gz ZZAXXCBDXMFHKX-LLVKDONJSA-N 1 0 277.368 1.970 20 10 CDCDRO O=C1NCC2(CC[NH+](Cc3ccccc3O)CC2)N1 ZINC001203560848 939693073 /nfs/dbraw/zinc/69/30/73/939693073.db2.gz HUWXEUSZKILPJT-UHFFFAOYSA-N 1 0 261.325 1.040 20 10 CDCDRO O=C1CC2(CC[NH+](Cc3ccccc3O)CC2)CC(=O)N1 ZINC001203558296 939693120 /nfs/dbraw/zinc/69/31/20/939693120.db2.gz CECSNAPBIJVHBF-UHFFFAOYSA-N 1 0 288.347 1.411 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001203562213 939693384 /nfs/dbraw/zinc/69/33/84/939693384.db2.gz FHKTYFSEVCLKMI-ZDUSSCGKSA-N 1 0 289.310 1.975 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001203604043 939696042 /nfs/dbraw/zinc/69/60/42/939696042.db2.gz ZZXGEHXYSHAIKE-GDBMZVCRSA-N 1 0 295.379 1.356 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC001203664523 939700200 /nfs/dbraw/zinc/70/02/00/939700200.db2.gz IVBIOLOQEKZASH-CYBMUJFWSA-N 1 0 299.754 1.810 20 10 CDCDRO CCN(C(C)=O)C1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203881937 939711406 /nfs/dbraw/zinc/71/14/06/939711406.db2.gz YNQPUCGKFMGUDV-UHFFFAOYSA-N 1 0 292.379 1.931 20 10 CDCDRO OC[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204275860 939749980 /nfs/dbraw/zinc/74/99/80/939749980.db2.gz CXUPCGQUCMXTKO-NSHDSACASA-N 1 0 251.326 1.692 20 10 CDCDRO CN1CC[N@H+](Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001204325846 939755464 /nfs/dbraw/zinc/75/54/64/939755464.db2.gz BDGAKTISKXIYOT-UHFFFAOYSA-N 1 0 287.407 1.951 20 10 CDCDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)C2)cc(O)c1O ZINC001204345138 939758382 /nfs/dbraw/zinc/75/83/82/939758382.db2.gz MKECDWMAFNSKQX-LLVKDONJSA-N 1 0 266.341 1.242 20 10 CDCDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc(O)c1O ZINC001204345807 939758529 /nfs/dbraw/zinc/75/85/29/939758529.db2.gz YCLOFBWETBNNAP-ZDUSSCGKSA-N 1 0 292.379 1.777 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]([NH3+])CC(F)(F)C2)cc1 ZINC001206117472 939982177 /nfs/dbraw/zinc/98/21/77/939982177.db2.gz PDOAOCLREBNOLR-GFCCVEGCSA-N 1 0 269.339 1.921 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000400218472 940844751 /nfs/dbraw/zinc/84/47/51/940844751.db2.gz WDCXXSPEZJINCP-NEPJUHHUSA-N 1 0 298.408 1.385 20 10 CDCDRO CC1CC[NH+](CC(=O)NCc2ccc(N)cc2)CC1 ZINC001524008825 970788948 /nfs/dbraw/zinc/78/89/48/970788948.db2.gz KUMFJHRGVVTJKE-UHFFFAOYSA-N 1 0 261.369 1.617 20 10 CDCDRO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)cc(O)c1O ZINC001219663506 941374468 /nfs/dbraw/zinc/37/44/68/941374468.db2.gz NVHYZKYTYQHWCE-NXEZZACHSA-N 1 0 294.351 1.082 20 10 CDCDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490251 941450298 /nfs/dbraw/zinc/45/02/98/941450298.db2.gz YRJGBFBUUWQLNH-CYBMUJFWSA-N 1 0 294.351 1.160 20 10 CDCDRO Cc1cc(F)cc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222510618 941606760 /nfs/dbraw/zinc/60/67/60/941606760.db2.gz AZMVDPFXGVTUQO-GJZGRUSLSA-N 1 0 293.386 1.366 20 10 CDCDRO CN(C)C(=O)C12CC([NH2+]Cc3ccc(N(C)C)cc3)(C1)C2 ZINC001276958990 941734819 /nfs/dbraw/zinc/73/48/19/941734819.db2.gz XSTAGFOKZCVMQD-UHFFFAOYSA-N 1 0 287.407 1.853 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001277192354 942155454 /nfs/dbraw/zinc/15/54/54/942155454.db2.gz MUDRGZCEBYOCJI-XHDPSFHLSA-N 1 0 276.336 1.150 20 10 CDCDRO NC(=O)C12CC([NH2+]Cc3cc(Cl)ccc3O)(C1)C2 ZINC001277457532 942626761 /nfs/dbraw/zinc/62/67/61/942626761.db2.gz JAUNLEHZGNXJDP-UHFFFAOYSA-N 1 0 266.728 1.543 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1O ZINC001231586155 942936996 /nfs/dbraw/zinc/93/69/96/942936996.db2.gz CGOZMEVPLZVLCD-LRDDRELGSA-N 1 0 273.332 1.330 20 10 CDCDRO Cc1cccc(C[N@@H+](C)CCC(=O)N(C)C)c1O ZINC001231592129 942938481 /nfs/dbraw/zinc/93/84/81/942938481.db2.gz CHTAILKYXSCSME-UHFFFAOYSA-N 1 0 250.342 1.611 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3cccc(C)c3O)C2)C1 ZINC001231594099 942938629 /nfs/dbraw/zinc/93/86/29/942938629.db2.gz YWCRZYYCWBFGKD-UHFFFAOYSA-N 1 0 274.364 1.755 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCc3cnn(C)c3C2)c1O ZINC001231594262 942939164 /nfs/dbraw/zinc/93/91/64/942939164.db2.gz ZVLKKCKXMVWWCT-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c(O)cc1O ZINC001231634276 942949154 /nfs/dbraw/zinc/94/91/54/942949154.db2.gz KPMMUQIKQRBRTO-GHMZBOCLSA-N 1 0 281.352 1.699 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c(O)c1 ZINC001277568611 943019733 /nfs/dbraw/zinc/01/97/33/943019733.db2.gz SYBMSIRCYNVOQA-CRAIPNDOSA-N 1 0 298.386 1.921 20 10 CDCDRO O=C1NCC[C@H]2C[N@@H+](Cc3cc(Cl)c(O)cc3O)C[C@@H]12 ZINC001232262687 943193984 /nfs/dbraw/zinc/19/39/84/943193984.db2.gz MQHWLJSCAXUEPQ-WCBMZHEXSA-N 1 0 296.754 1.319 20 10 CDCDRO CN(C)C(=O)CC[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232262682 943194956 /nfs/dbraw/zinc/19/49/56/943194956.db2.gz MOENUCUONDKJII-UHFFFAOYSA-N 1 0 286.759 1.661 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)c(O)c(O)c2)CCC[C@@H]1O ZINC001233010344 943460514 /nfs/dbraw/zinc/46/05/14/943460514.db2.gz PGAHTVKMHCCZHK-KOLCDFICSA-N 1 0 267.325 1.396 20 10 CDCDRO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C[C@@H](O)CO ZINC001233284649 943531697 /nfs/dbraw/zinc/53/16/97/943531697.db2.gz CMYHTGAKEYEWCG-CYBMUJFWSA-N 1 0 267.369 1.475 20 10 CDCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233482747 943591314 /nfs/dbraw/zinc/59/13/14/943591314.db2.gz ATUVDJXOVBLBDN-NXEZZACHSA-N 1 0 267.325 1.396 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1O ZINC001233482770 943591417 /nfs/dbraw/zinc/59/14/17/943591417.db2.gz BLLBUZSCGYUSJZ-BONVTDFDSA-N 1 0 279.336 1.804 20 10 CDCDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC001263320544 943829782 /nfs/dbraw/zinc/82/97/82/943829782.db2.gz CDTGNPXABSCKRY-JOCQHMNTSA-N 1 0 284.363 1.709 20 10 CDCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc2c(c1)OCCN2C ZINC001235456606 944162448 /nfs/dbraw/zinc/16/24/48/944162448.db2.gz MPOOMFNOJNNITJ-INIZCTEOSA-N 1 0 289.423 1.945 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001235676982 944243291 /nfs/dbraw/zinc/24/32/91/944243291.db2.gz ZKOJXDLIKXJBTR-XJKSGUPXSA-N 1 0 293.407 1.865 20 10 CDCDRO Cn1ccc(-c2ccc(N3CC[NH+](C)CC3)nc2)cc1=O ZINC001235974963 944340997 /nfs/dbraw/zinc/34/09/97/944340997.db2.gz RMCCMGKTCQCQDN-UHFFFAOYSA-N 1 0 284.363 1.199 20 10 CDCDRO COc1cc(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc(O)c1O ZINC001235977187 944342729 /nfs/dbraw/zinc/34/27/29/944342729.db2.gz FVLGSQCPPYVBJZ-HZMBPMFUSA-N 1 0 264.325 1.030 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236291673 944449860 /nfs/dbraw/zinc/44/98/60/944449860.db2.gz OEYFUWZBXNHHRR-OCCSQVGLSA-N 1 0 261.369 1.165 20 10 CDCDRO O=C([O-])c1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322213 944468887 /nfs/dbraw/zinc/46/88/87/944468887.db2.gz SZIJECFXNOMUEY-BETUJISGSA-N 1 0 290.363 1.522 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c1 ZINC001236783185 944565458 /nfs/dbraw/zinc/56/54/58/944565458.db2.gz IUHUZUATPSAARO-KBPBESRZSA-N 1 0 265.353 1.130 20 10 CDCDRO CCc1ccc(C[N@H+](C)CCN2CCOCC2)c(O)c1 ZINC001236784378 944566592 /nfs/dbraw/zinc/56/65/92/944566592.db2.gz VOCGYBGKHPJNAL-UHFFFAOYSA-N 1 0 278.396 1.719 20 10 CDCDRO COc1cc(O)c(CN2CC3(C2)C[NH+](C)C3)c(Cl)c1 ZINC001236806290 944573420 /nfs/dbraw/zinc/57/34/20/944573420.db2.gz TYWKECYKUYOQQO-UHFFFAOYSA-N 1 0 282.771 1.802 20 10 CDCDRO COc1cc(C)c(CN2CC(C)([NH+](C)C)C2)c(O)c1 ZINC001236810498 944576200 /nfs/dbraw/zinc/57/62/00/944576200.db2.gz IDCPJJTWYHEJTO-UHFFFAOYSA-N 1 0 264.369 1.845 20 10 CDCDRO NC(=O)CN1CC[NH+](Cc2cc3ccccc3cc2O)CC1 ZINC001236834224 944584795 /nfs/dbraw/zinc/58/47/95/944584795.db2.gz UYJSXVFWPUIQJT-UHFFFAOYSA-N 1 0 299.374 1.148 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)c(O)c1 ZINC001237042267 944644405 /nfs/dbraw/zinc/64/44/05/944644405.db2.gz SDTMWQDQMMBKIB-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001237488222 944815209 /nfs/dbraw/zinc/81/52/09/944815209.db2.gz KHIMVOREASHEND-ZIAGYGMSSA-N 1 0 274.364 1.896 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2O)C1 ZINC001237668225 944914467 /nfs/dbraw/zinc/91/44/67/944914467.db2.gz ASANTKYIWTYIBC-JTQLQIEISA-N 1 0 295.335 1.404 20 10 CDCDRO COC(=O)c1cnc(C2=CCC[NH2+]C2)c2ccn(C)c21 ZINC001240651288 945972538 /nfs/dbraw/zinc/97/25/38/945972538.db2.gz BQCWHSRHFCDSAU-UHFFFAOYSA-N 1 0 271.320 1.737 20 10 CDCDRO O=S1(=O)CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001254321522 947359184 /nfs/dbraw/zinc/35/91/84/947359184.db2.gz IUYBXZIMLBBXAW-AWEZNQCLSA-N 1 0 291.372 1.822 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@@H]2CCCSC2)cc1O ZINC001257659867 948618009 /nfs/dbraw/zinc/61/80/09/948618009.db2.gz QGMQEHDQWPOYSK-SNVBAGLBSA-N 1 0 269.366 1.831 20 10 CDCDRO C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC001327840616 955071793 /nfs/dbraw/zinc/07/17/93/955071793.db2.gz PWAADGDUJKOXOR-UWVGGRQHSA-N 1 0 267.329 1.807 20 10 CDCDRO O[C@H]1CCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001328718200 955436086 /nfs/dbraw/zinc/43/60/86/955436086.db2.gz YOPHQSFKVMDAMY-KRWDZBQOSA-N 1 0 289.423 1.443 20 10 CDCDRO CC[NH2+]CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC001332531107 957610426 /nfs/dbraw/zinc/61/04/26/957610426.db2.gz BROIUPCUNSLERN-UHFFFAOYSA-N 1 0 263.341 1.417 20 10 CDCDRO Nc1ccc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC001334775097 959349713 /nfs/dbraw/zinc/34/97/13/959349713.db2.gz RFLXZVGDGHSUGD-KRWDZBQOSA-N 1 0 289.423 1.956 20 10 CDCDRO CN(C(=O)CCSCCC[NH3+])c1ccc(N)cc1 ZINC001340731506 963095261 /nfs/dbraw/zinc/09/52/61/963095261.db2.gz YKLJDWGSBCNCNK-UHFFFAOYSA-N 1 0 267.398 1.704 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCOC3)c(O)c1 ZINC001343547958 964035389 /nfs/dbraw/zinc/03/53/89/964035389.db2.gz PMMWZJUIYGVQLM-LLVKDONJSA-N 1 0 288.351 1.673 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001348837793 966200843 /nfs/dbraw/zinc/20/08/43/966200843.db2.gz MWZNGQUZLSYRCN-CWRNSKLLSA-N 1 0 287.407 1.757 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1COCCN1 ZINC001351678886 966974843 /nfs/dbraw/zinc/97/48/43/966974843.db2.gz HYPWVRQXQPSKBH-AGIUHOORSA-N 1 0 276.380 1.827 20 10 CDCDRO CCc1cccc(C[NH2+]Cc2nnc3n2CCC3)c1O ZINC000848892836 969338382 /nfs/dbraw/zinc/33/83/82/969338382.db2.gz IHMOLPMKWHQUKB-UHFFFAOYSA-N 1 0 272.352 1.782 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001357648564 969636163 /nfs/dbraw/zinc/63/61/63/969636163.db2.gz WGBONHMQYAWMFV-LBPRGKRZSA-N 1 0 278.400 1.798 20 10 CDCDRO CC(C)C[C@](C)(C[NH3+])C(=O)NCc1c(O)cccc1O ZINC001575533627 1171194624 /nfs/dbraw/zinc/19/46/24/1171194624.db2.gz CSTUXBXQLHLUPL-OAHLLOKOSA-N 1 0 280.368 1.725 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1CC[NH2+]1)c1ccc(N(C)C)cc1 ZINC001576207508 1171360422 /nfs/dbraw/zinc/36/04/22/1171360422.db2.gz MTQHJBHXQAUZSO-DGCLKSJQSA-N 1 0 276.384 1.475 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC001578425376 1171905607 /nfs/dbraw/zinc/90/56/07/1171905607.db2.gz AKEMYBCFHBWSSW-PHIMTYICSA-N 1 0 280.347 1.181 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000092764665 342234681 /nfs/dbraw/zinc/23/46/81/342234681.db2.gz QXUOXLWZAQPPJY-NSHDSACASA-N 1 0 251.326 1.605 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1C ZINC000295118809 199355551 /nfs/dbraw/zinc/35/55/51/199355551.db2.gz MXGYBXZFBMTMOP-MRXNPFEDSA-N 1 0 292.423 1.940 20 10 CDCDRO C[C@H](CCCCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295125197 199357742 /nfs/dbraw/zinc/35/77/42/199357742.db2.gz XEDRHIGHBQKXAJ-SNVBAGLBSA-N 1 0 267.325 1.762 20 10 CDCDRO OCCCN1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000295147075 199371582 /nfs/dbraw/zinc/37/15/82/199371582.db2.gz QSNXFVMDRTZKMK-AWEZNQCLSA-N 1 0 264.369 1.329 20 10 CDCDRO CCOCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000065565697 363309746 /nfs/dbraw/zinc/30/97/46/363309746.db2.gz HEYIKLOVKIQYQK-UHFFFAOYSA-N 1 0 264.369 1.854 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1O ZINC000112839330 366159164 /nfs/dbraw/zinc/15/91/64/366159164.db2.gz IIECCQHOAXMGTC-KGLIPLIRSA-N 1 0 292.379 1.354 20 10 CDCDRO Cn1cc(N2CC[NH+](Cc3cc(F)ccc3O)CC2)cn1 ZINC000180152290 357247206 /nfs/dbraw/zinc/24/72/06/357247206.db2.gz OSVONEJJAXUUCZ-UHFFFAOYSA-N 1 0 290.342 1.587 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)C2)cc1OC ZINC000180377324 357265954 /nfs/dbraw/zinc/26/59/54/357265954.db2.gz SGTAFGLHBGYORT-HNNXBMFYSA-N 1 0 281.352 1.756 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(O)c1 ZINC000187669688 357793108 /nfs/dbraw/zinc/79/31/08/357793108.db2.gz QZXVYEMVEGGIMH-STQMWFEESA-N 1 0 281.352 1.109 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1OC ZINC000191178594 358118092 /nfs/dbraw/zinc/11/80/92/358118092.db2.gz KLYNGLIYOHDSOK-ZYHUDNBSSA-N 1 0 281.352 1.612 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H](C)C(=O)N(C)C)ccc1OC ZINC000191730872 358149970 /nfs/dbraw/zinc/14/99/70/358149970.db2.gz QCSGBAYBVPQKRS-LBPRGKRZSA-N 1 0 294.395 1.798 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](CC(N)=O)CC(C)C)cc1C ZINC000092011389 358535236 /nfs/dbraw/zinc/53/52/36/358535236.db2.gz YSWMYHKZZFFDNP-UHFFFAOYSA-N 1 0 264.369 1.952 20 10 CDCDRO Cc1cc(NC(=O)CN(C)Cc2ccccc2O)n(C)n1 ZINC000111236462 359197119 /nfs/dbraw/zinc/19/71/19/359197119.db2.gz KPULINWWGMSFRO-UHFFFAOYSA-N 1 0 288.351 1.505 20 10 CDCDRO CCOc1cccc(C[NH+]2CCN(CCOC)CC2)c1O ZINC000122997432 360250051 /nfs/dbraw/zinc/25/00/51/360250051.db2.gz DLFMJGAYRSEMPA-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO CC[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000267393480 363812898 /nfs/dbraw/zinc/81/28/98/363812898.db2.gz XJDMUQMEGMWNOC-UHFFFAOYSA-N 1 0 274.158 1.969 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269237960 364165553 /nfs/dbraw/zinc/16/55/53/364165553.db2.gz WCXAYEMGIMCWNV-AWEZNQCLSA-N 1 0 292.379 1.509 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CC(=O)N(C)C)CC2)cc1 ZINC000375046852 370782929 /nfs/dbraw/zinc/78/29/29/370782929.db2.gz ATHSILOYFRAAOT-UHFFFAOYSA-N 1 0 291.395 1.342 20 10 CDCDRO C[NH+]1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1 ZINC000271152446 364946358 /nfs/dbraw/zinc/94/63/58/364946358.db2.gz ISVDTSWXBZIWDG-UHFFFAOYSA-N 1 0 278.352 1.098 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000181291369 365025570 /nfs/dbraw/zinc/02/55/70/365025570.db2.gz ZVYYILCCPSTUNO-LBPRGKRZSA-N 1 0 275.396 1.929 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000378441539 365098648 /nfs/dbraw/zinc/09/86/48/365098648.db2.gz HNTMHZMSROUPKV-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cc(F)ccc1O ZINC000273405886 365492272 /nfs/dbraw/zinc/49/22/72/365492272.db2.gz OJWPFFJYTBWPHU-AAEUAGOBSA-N 1 0 282.359 1.639 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)c(O)c1 ZINC000282325745 367832779 /nfs/dbraw/zinc/83/27/79/367832779.db2.gz LHKBBMCIQJTIJJ-FZMZJTMJSA-N 1 0 292.379 1.938 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000282820398 368053517 /nfs/dbraw/zinc/05/35/17/368053517.db2.gz UDWNUFHBVVONKE-JTQLQIEISA-N 1 0 254.305 1.264 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCN(C[C@@H](C)O)C[C@@H]2C)c1 ZINC000284438843 368520523 /nfs/dbraw/zinc/52/05/23/368520523.db2.gz SOVZHKZEOPJMBT-UONOGXRCSA-N 1 0 278.396 1.588 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCC2(O)CCOCC2)c1 ZINC000285451333 368628704 /nfs/dbraw/zinc/62/87/04/368628704.db2.gz JAXDMNQGZKGUDE-UHFFFAOYSA-N 1 0 295.379 1.812 20 10 CDCDRO Oc1ccccc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000288570454 369468424 /nfs/dbraw/zinc/46/84/24/369468424.db2.gz MYDKWFCEEPWVCU-BBRMVZONSA-N 1 0 271.316 1.976 20 10 CDCDRO C[C@H]([NH2+]CCn1cncn1)c1ccc(N(C)C)cc1 ZINC000268867174 370986579 /nfs/dbraw/zinc/98/65/79/370986579.db2.gz WUTMKMOTWRRFFX-LBPRGKRZSA-N 1 0 259.357 1.695 20 10 CDCDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000295162705 371138608 /nfs/dbraw/zinc/13/86/08/371138608.db2.gz SJUIEIVWDPYURX-GFCCVEGCSA-N 1 0 282.315 1.804 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000295217165 371154659 /nfs/dbraw/zinc/15/46/59/371154659.db2.gz XVSUYAINPCNVCD-GZMMTYOYSA-N 1 0 294.326 1.449 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccccc1O ZINC000295892304 371400804 /nfs/dbraw/zinc/40/08/04/371400804.db2.gz HVOAKQNEIYASPK-GFCCVEGCSA-N 1 0 264.369 1.500 20 10 CDCDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186202550 378846659 /nfs/dbraw/zinc/84/66/59/378846659.db2.gz HJENLGGFOLCSLP-NWDGAFQWSA-N 1 0 253.342 1.749 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185468032 262305165 /nfs/dbraw/zinc/30/51/65/262305165.db2.gz PSTPIJNVSOWHDJ-IINYFYTJSA-N 1 0 271.332 1.969 20 10 CDCDRO CCCOc1ccc(C[N@H+](C)CC(=O)N(C)C)c(O)c1 ZINC000132131685 390889327 /nfs/dbraw/zinc/88/93/27/390889327.db2.gz ODSVSNQAYVOYOT-UHFFFAOYSA-N 1 0 280.368 1.701 20 10 CDCDRO COC[C@H](O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000153756278 390905510 /nfs/dbraw/zinc/90/55/10/390905510.db2.gz ALBNWSVUAOMLLE-SECBINFHSA-N 1 0 259.733 1.533 20 10 CDCDRO Cc1cccc(C[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000281854415 390972203 /nfs/dbraw/zinc/97/22/03/390972203.db2.gz UVLKTZFVMMHALF-QGZVFWFLSA-N 1 0 253.367 1.701 20 10 CDCDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(O)c1O ZINC000376412178 391229450 /nfs/dbraw/zinc/22/94/50/391229450.db2.gz HDLJYKARIUZIBJ-DGCLKSJQSA-N 1 0 290.363 1.797 20 10 CDCDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000284280204 391481628 /nfs/dbraw/zinc/48/16/28/391481628.db2.gz HKNBGAHIQMJJRL-VXGBXAGGSA-N 1 0 282.359 1.418 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(C(N)=O)C(C)C)c1O ZINC000289261386 391612135 /nfs/dbraw/zinc/61/21/35/391612135.db2.gz DEGCQPUAVNMNNT-OAHLLOKOSA-N 1 0 296.342 1.724 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)ccc21 ZINC000372449187 391853082 /nfs/dbraw/zinc/85/30/82/391853082.db2.gz YECCAPQAUZDIOE-YJBOKZPZSA-N 1 0 299.418 1.685 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649347601 392083005 /nfs/dbraw/zinc/08/30/05/392083005.db2.gz HOIPBTAWZRIZOF-CQSZACIVSA-N 1 0 289.379 1.476 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037268344 285569822 /nfs/dbraw/zinc/56/98/22/285569822.db2.gz DGTIZGYZUPXSAC-VXGBXAGGSA-N 1 0 263.385 1.928 20 10 CDCDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccccc1O ZINC000038047288 174057323 /nfs/dbraw/zinc/05/73/23/174057323.db2.gz OSPJAYBJUMPLOZ-SNVBAGLBSA-N 1 0 257.355 1.478 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000078640384 260168424 /nfs/dbraw/zinc/16/84/24/260168424.db2.gz KJBSVIYTNFTWKU-CYBMUJFWSA-N 1 0 296.436 1.810 20 10 CDCDRO C[C@@H]([NH2+]CC1(CO)COC1)c1cc2c(cc1O)CCCC2 ZINC000186146351 262082084 /nfs/dbraw/zinc/08/20/84/262082084.db2.gz JMTYOEBCHXUYOC-GFCCVEGCSA-N 1 0 291.391 1.931 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000119995124 262179739 /nfs/dbraw/zinc/17/97/39/262179739.db2.gz XEXQSQXCMUTAMP-RDDDGLTNSA-N 1 0 279.258 1.975 20 10 CDCDRO [NH3+]CCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171476 262247775 /nfs/dbraw/zinc/24/77/75/262247775.db2.gz MSEXDWOFUTWWDM-UHFFFAOYSA-N 1 0 261.369 1.642 20 10 CDCDRO Cc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)c(O)c1O ZINC000272837623 263009220 /nfs/dbraw/zinc/00/92/20/263009220.db2.gz QUFJCGVDDRCRKC-UHFFFAOYSA-N 1 0 280.368 1.866 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000129639233 264329714 /nfs/dbraw/zinc/32/97/14/264329714.db2.gz HCCBTFYDJBENHY-OLZOCXBDSA-N 1 0 251.326 1.650 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000278748265 279055304 /nfs/dbraw/zinc/05/53/04/279055304.db2.gz WBSNWOJQPHYRLP-NHYWBVRUSA-N 1 0 282.359 1.521 20 10 CDCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000278748258 280069933 /nfs/dbraw/zinc/06/99/33/280069933.db2.gz WBSNWOJQPHYRLP-ABAIWWIYSA-N 1 0 282.359 1.521 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287330655 328250927 /nfs/dbraw/zinc/25/09/27/328250927.db2.gz FYEMHEWSKGUNKR-GFCCVEGCSA-N 1 0 295.379 1.983 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228674762 329344335 /nfs/dbraw/zinc/34/43/35/329344335.db2.gz OZJGQYUMOKFTIP-SNVBAGLBSA-N 1 0 275.732 1.151 20 10 CDCDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000263196337 330048593 /nfs/dbraw/zinc/04/85/93/330048593.db2.gz IKTHLFWXDNJFDT-ZBFHGGJFSA-N 1 0 275.396 1.835 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CC[NH2+]C1 ZINC000130923972 333889684 /nfs/dbraw/zinc/88/96/84/333889684.db2.gz FSLXNAWZGSDDGU-LBPRGKRZSA-N 1 0 289.379 1.478 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000134130027 334081714 /nfs/dbraw/zinc/08/17/14/334081714.db2.gz XYIAOHSLYIJPAT-HNNXBMFYSA-N 1 0 276.380 1.607 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCCC[C@H]1O)OCO2 ZINC000135623298 334134780 /nfs/dbraw/zinc/13/47/80/334134780.db2.gz PTJLQWOFUGVPOO-VXGBXAGGSA-N 1 0 279.336 1.904 20 10 CDCDRO Oc1ccc(F)c(Cl)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236298943 1161229180 /nfs/dbraw/zinc/22/91/80/1161229180.db2.gz VTDCMLCCCNHATR-XVKPBYJWSA-N 1 0 256.708 1.588 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CO)C2)c1O ZINC000050132048 518283542 /nfs/dbraw/zinc/28/35/42/518283542.db2.gz RVCCIZDVNNPGQC-NSHDSACASA-N 1 0 281.327 1.938 20 10 CDCDRO CCCN(Cc1cnnn1C)c1ccc(C[NH3+])cc1 ZINC000278429180 521691907 /nfs/dbraw/zinc/69/19/07/521691907.db2.gz SWJVLFJELFLIDN-UHFFFAOYSA-N 1 0 259.357 1.690 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000082284175 522092083 /nfs/dbraw/zinc/09/20/83/522092083.db2.gz KBQNYRUEYROBBI-AWEZNQCLSA-N 1 0 261.369 1.364 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1F ZINC000278553327 522185092 /nfs/dbraw/zinc/18/50/92/522185092.db2.gz DSJATVCYUXVRPW-OKILXGFUSA-N 1 0 277.387 1.885 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCO1 ZINC000279347689 522360120 /nfs/dbraw/zinc/36/01/20/522360120.db2.gz FXOYMJGXNCWNFZ-TZMCWYRMSA-N 1 0 269.316 1.815 20 10 CDCDRO CC[C@@H](CCO)C[NH2+]Cc1cccc(OC)c1O ZINC000094949344 522508168 /nfs/dbraw/zinc/50/81/68/522508168.db2.gz YHOQPMUPQYNYFR-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000281541357 522822090 /nfs/dbraw/zinc/82/20/90/522822090.db2.gz BFXJCOBIDQSOJR-CJNGLKHVSA-N 1 0 278.396 1.945 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000290291268 524009657 /nfs/dbraw/zinc/00/96/57/524009657.db2.gz YAGWUWOGRSEZBI-CQDKDKBSSA-N 1 0 264.369 1.817 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000280987085 524431695 /nfs/dbraw/zinc/43/16/95/524431695.db2.gz WQVIZSBCUOCAJM-ZIAGYGMSSA-N 1 0 265.353 1.435 20 10 CDCDRO C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](C[NH3+])C1 ZINC000261672195 524452109 /nfs/dbraw/zinc/45/21/09/524452109.db2.gz CSTMARSGWGKZJF-RISCZKNCSA-N 1 0 261.369 1.397 20 10 CDCDRO C[C@@H](CO)C[NH2+]Cc1cc(Br)ccc1O ZINC000163758191 524776371 /nfs/dbraw/zinc/77/63/71/524776371.db2.gz PQWJUNJNVXRPJU-MRVPVSSYSA-N 1 0 274.158 1.873 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000237427828 524840951 /nfs/dbraw/zinc/84/09/51/524840951.db2.gz YWRQOKRLALYYCU-FZMZJTMJSA-N 1 0 261.369 1.540 20 10 CDCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000131016217 524876343 /nfs/dbraw/zinc/87/63/43/524876343.db2.gz TVAOGNJOCVOOGP-ZRNGKTOUSA-N 1 0 285.365 1.320 20 10 CDCDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000193306277 524997117 /nfs/dbraw/zinc/99/71/17/524997117.db2.gz FARHOVIUAXMKJO-SNVBAGLBSA-N 1 0 267.348 1.635 20 10 CDCDRO C[C@@H]1CN(c2ccc(CNC(N)=[NH2+])cc2F)C[C@@H](C)O1 ZINC000263979414 525063324 /nfs/dbraw/zinc/06/33/24/525063324.db2.gz QQLLDCKTHVEGPM-NXEZZACHSA-N 1 0 280.347 1.422 20 10 CDCDRO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2O)CC1 ZINC000279748970 525099913 /nfs/dbraw/zinc/09/99/13/525099913.db2.gz YJXVARSGRDLMIN-UHFFFAOYSA-N 1 0 255.339 1.059 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1 ZINC000068800935 525361493 /nfs/dbraw/zinc/36/14/93/525361493.db2.gz ROCNVGCTTHTGLE-KGLIPLIRSA-N 1 0 277.412 1.597 20 10 CDCDRO C[C@@H]([NH2+]CCCCO)c1ccc(N2CCOCC2)cc1 ZINC000194227778 525434617 /nfs/dbraw/zinc/43/46/17/525434617.db2.gz GTBDNDVAGUKFFM-CQSZACIVSA-N 1 0 278.396 1.946 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCn1cncn1 ZINC000264978945 526362286 /nfs/dbraw/zinc/36/22/86/526362286.db2.gz SZTBYYVIOGQACZ-UHFFFAOYSA-N 1 0 252.705 1.427 20 10 CDCDRO Cn1cc(C(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000742374462 574420588 /nfs/dbraw/zinc/42/05/88/574420588.db2.gz YQHKJSOHGRGQJW-UHFFFAOYSA-N 1 0 289.335 1.879 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](C)CN2CCOCC2)c(O)c1 ZINC000725846026 574443877 /nfs/dbraw/zinc/44/38/77/574443877.db2.gz QLQSGRDOYKYHCR-CYBMUJFWSA-N 1 0 294.395 1.601 20 10 CDCDRO CC[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731866007 575066660 /nfs/dbraw/zinc/06/66/60/575066660.db2.gz DGRVIDUJBXOQMM-UHFFFAOYSA-N 1 0 254.355 1.668 20 10 CDCDRO C[NH+]1CCN(CCCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000731869626 575066872 /nfs/dbraw/zinc/06/68/72/575066872.db2.gz ULEQHLTXYARYKA-UHFFFAOYSA-N 1 0 297.424 1.211 20 10 CDCDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1=CC(=O)CS1 ZINC000732273084 575085497 /nfs/dbraw/zinc/08/54/97/575085497.db2.gz VSZVHHUMSUNDAV-NXEZZACHSA-N 1 0 266.366 1.810 20 10 CDCDRO COCC[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732277712 575086079 /nfs/dbraw/zinc/08/60/79/575086079.db2.gz SCIUGVCARLPYBJ-UHFFFAOYSA-N 1 0 284.381 1.294 20 10 CDCDRO C[NH+](C)C1(CNC(=O)C2=CC(=O)CS2)CCOCC1 ZINC000733809489 575139135 /nfs/dbraw/zinc/13/91/35/575139135.db2.gz RDHCKTXNIKTDRQ-UHFFFAOYSA-N 1 0 284.381 1.294 20 10 CDCDRO COc1ccc(O)c(CNC(=O)CCCC[NH+](C)C)c1 ZINC000734018721 575153655 /nfs/dbraw/zinc/15/36/55/575153655.db2.gz GFVWJIVGEACNFD-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774482012 575207888 /nfs/dbraw/zinc/20/78/88/575207888.db2.gz DJSPVQNEWMPDKU-GHMZBOCLSA-N 1 0 292.383 1.247 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCc2cnccn2)c1 ZINC000774830855 575244989 /nfs/dbraw/zinc/24/49/89/575244989.db2.gz FIWFFFGPLVAOGQ-UHFFFAOYSA-N 1 0 273.336 1.913 20 10 CDCDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C1=CC(=O)CS1 ZINC000765253372 576002171 /nfs/dbraw/zinc/00/21/71/576002171.db2.gz RFDOHBQNHZZWTC-LLVKDONJSA-N 1 0 298.408 1.420 20 10 CDCDRO C[C@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444700 576283598 /nfs/dbraw/zinc/28/35/98/576283598.db2.gz BHJZTESRXPMGTH-TVQRCGJNSA-N 1 0 281.377 1.755 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c1 ZINC000769205217 576337605 /nfs/dbraw/zinc/33/76/05/576337605.db2.gz FOFYSYTUKAGDHA-CYBMUJFWSA-N 1 0 290.363 1.598 20 10 CDCDRO Cn1cccc1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000760484397 576487756 /nfs/dbraw/zinc/48/77/56/576487756.db2.gz DVTNSQQFVCPKSW-UHFFFAOYSA-N 1 0 280.441 1.331 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CC[N@@H+]1C ZINC000745789839 576742661 /nfs/dbraw/zinc/74/26/61/576742661.db2.gz QOLUOUHVCGKPDW-WCQYABFASA-N 1 0 277.368 1.674 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@]2(CO)CCOC2)c(O)c1 ZINC000757978686 577065012 /nfs/dbraw/zinc/06/50/12/577065012.db2.gz PKZDURYJPJZDHE-CQSZACIVSA-N 1 0 267.325 1.032 20 10 CDCDRO Fc1cc(C[NH2+]CCN2CCC2)ccc1N1CCOCC1 ZINC000752100034 577088988 /nfs/dbraw/zinc/08/89/88/577088988.db2.gz FNWGILPTMUQEEI-UHFFFAOYSA-N 1 0 293.386 1.458 20 10 CDCDRO O=C(NC[C@H]1CCC[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000892005657 617403175 /nfs/dbraw/zinc/40/31/75/617403175.db2.gz PJUMQEOBLIZQLR-LLVKDONJSA-N 1 0 261.325 1.169 20 10 CDCDRO O=C(NCCC1=CC[NH2+]CC1)N1Cc2cccc(O)c2C1 ZINC000892100472 617481659 /nfs/dbraw/zinc/48/16/59/617481659.db2.gz IRTASDGNHMIDKS-UHFFFAOYSA-N 1 0 287.363 1.727 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1O ZINC000892170191 617523163 /nfs/dbraw/zinc/52/31/63/617523163.db2.gz PYBNWPXADWDQIH-SDDRHHMPSA-N 1 0 277.368 1.880 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045073049 617589099 /nfs/dbraw/zinc/58/90/99/617589099.db2.gz AEDRBXSWHNBAFX-UHFFFAOYSA-N 1 0 280.324 1.127 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CO)CCOCC1 ZINC000840937669 617613179 /nfs/dbraw/zinc/61/31/79/617613179.db2.gz VYASGZDPABPLLS-UHFFFAOYSA-N 1 0 292.423 1.940 20 10 CDCDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000892737945 617683072 /nfs/dbraw/zinc/68/30/72/617683072.db2.gz PLVWJKJROUMGBH-JTQLQIEISA-N 1 0 268.332 1.933 20 10 CDCDRO CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891947879 617815397 /nfs/dbraw/zinc/81/53/97/617815397.db2.gz MEFVPYDQRUCYRV-AWEZNQCLSA-N 1 0 278.400 1.674 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1O ZINC000891972175 617907816 /nfs/dbraw/zinc/90/78/16/617907816.db2.gz XOTVHJRCBHWDSC-VXGBXAGGSA-N 1 0 277.368 1.895 20 10 CDCDRO COc1ccc(C[N@H+](CCO)C2CCC2)c(O)c1OC ZINC000893902283 618154290 /nfs/dbraw/zinc/15/42/90/618154290.db2.gz XMFQJQUXCPBFPN-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892413283 618166936 /nfs/dbraw/zinc/16/69/36/618166936.db2.gz FVTITFBUHXPQDR-ZDUSSCGKSA-N 1 0 294.395 1.983 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000795582153 618389571 /nfs/dbraw/zinc/38/95/71/618389571.db2.gz IWAXQVGWGXFCFC-STQMWFEESA-N 1 0 281.352 1.135 20 10 CDCDRO C[NH2+]CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000841041493 618677087 /nfs/dbraw/zinc/67/70/87/618677087.db2.gz IODVNXZELMDXKM-UHFFFAOYSA-N 1 0 269.301 1.008 20 10 CDCDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841044355 618678784 /nfs/dbraw/zinc/67/87/84/618678784.db2.gz CZPAOGPVEQPTCH-UHFFFAOYSA-N 1 0 287.766 1.180 20 10 CDCDRO COC[C@@]1(CNCc2cccc(OC)c2O)CCC[NH2+]1 ZINC000841067217 618679894 /nfs/dbraw/zinc/67/98/94/618679894.db2.gz KUJGWNDFSLROOL-HNNXBMFYSA-N 1 0 280.368 1.259 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c1OC ZINC000894781813 619057577 /nfs/dbraw/zinc/05/75/77/619057577.db2.gz RWVKPXKKBNQYMQ-GXSJLCMTSA-N 1 0 294.351 1.153 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2COC[C@H]2OC)c1O ZINC000895078244 619267423 /nfs/dbraw/zinc/26/74/23/619267423.db2.gz FTRRAKJBBVJVNN-DGCLKSJQSA-N 1 0 267.325 1.213 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC000895149641 619359254 /nfs/dbraw/zinc/35/92/54/619359254.db2.gz NTQITVIFXMQCDL-GFCCVEGCSA-N 1 0 251.326 1.666 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895310472 619540612 /nfs/dbraw/zinc/54/06/12/619540612.db2.gz HVPXHEOZQPMXQW-JTQLQIEISA-N 1 0 250.298 1.655 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1C ZINC000895327876 619565697 /nfs/dbraw/zinc/56/56/97/619565697.db2.gz DZTUFHNHOVGCQR-HIFRSBDPSA-N 1 0 265.353 1.327 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1c(O)cccc1Cl ZINC000896715172 620210921 /nfs/dbraw/zinc/21/09/21/620210921.db2.gz OEJLXRALHVBDQV-UHFFFAOYSA-N 1 0 256.733 1.743 20 10 CDCDRO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841032737 621026528 /nfs/dbraw/zinc/02/65/28/621026528.db2.gz JOJSPRJGQUSHFA-SNVBAGLBSA-N 1 0 295.339 1.398 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)CCC(=O)NC)c(O)c1 ZINC000897709602 621083194 /nfs/dbraw/zinc/08/31/94/621083194.db2.gz GKCSGMIVXZTTMA-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO Cn1cnc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000898045242 621279739 /nfs/dbraw/zinc/27/97/39/621279739.db2.gz JVVCLKJTHIWTRO-UHFFFAOYSA-N 1 0 261.281 1.144 20 10 CDCDRO O[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000898206883 621363721 /nfs/dbraw/zinc/36/37/21/621363721.db2.gz XWOBOLOCOUIRAV-QGZVFWFLSA-N 1 0 290.407 1.774 20 10 CDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000898548702 621789541 /nfs/dbraw/zinc/78/95/41/621789541.db2.gz ZYAWKQIXCJKJGM-CYBMUJFWSA-N 1 0 292.379 1.810 20 10 CDCDRO Nc1ccc(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)cc1 ZINC000911660695 629380873 /nfs/dbraw/zinc/38/08/73/629380873.db2.gz NQILFVBPLWSXDX-UHFFFAOYSA-N 1 0 286.335 1.976 20 10 CDCDRO CCOc1cccc(C[NH2+]CCC(=O)NC)c1O ZINC000044988230 630566462 /nfs/dbraw/zinc/56/64/62/630566462.db2.gz PPTUKDDATGUFCG-UHFFFAOYSA-N 1 0 252.314 1.017 20 10 CDCDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921779733 633288763 /nfs/dbraw/zinc/28/87/63/633288763.db2.gz AHSOBPPAEJOFIB-HNNXBMFYSA-N 1 0 287.363 1.568 20 10 CDCDRO C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1[NH3+] ZINC000706852096 1158765055 /nfs/dbraw/zinc/76/50/55/1158765055.db2.gz OKMAHPBPBGSKON-LDYMZIIASA-N 1 0 285.185 1.934 20 10 CDCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000088658059 1158735293 /nfs/dbraw/zinc/73/52/93/1158735293.db2.gz FSJRYMPUDYVUCR-OAHLLOKOSA-N 1 0 291.395 1.090 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000227134716 1160399044 /nfs/dbraw/zinc/39/90/44/1160399044.db2.gz RFABNIUYMMAQQK-IJLUTSLNSA-N 1 0 265.353 1.846 20 10 CDCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(C(=O)[O-])ccc1O ZINC001604341251 1163157987 /nfs/dbraw/zinc/15/79/87/1163157987.db2.gz OYORWRCAYBXERD-NSHDSACASA-N 1 0 296.367 1.319 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001609777907 1165077910 /nfs/dbraw/zinc/07/79/10/1165077910.db2.gz XPDKCPAGBLMWQK-HLTSFMKQSA-N 1 0 252.314 1.477 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCOC[C@H]1CCCO1 ZINC000877045620 1165965442 /nfs/dbraw/zinc/96/54/42/1165965442.db2.gz YHUBZJFLZCKWRR-CYBMUJFWSA-N 1 0 265.353 1.986 20 10 CDCDRO C[NH2+]CCCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001578691365 1171983216 /nfs/dbraw/zinc/98/32/16/1171983216.db2.gz LTMAHUYQGJSFOU-UHFFFAOYSA-N 1 0 289.383 1.538 20 10 CDCDRO C[NH2+]CCNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001578707319 1171984228 /nfs/dbraw/zinc/98/42/28/1171984228.db2.gz MGVXAZWXMVWSTB-UHFFFAOYSA-N 1 0 299.374 1.856 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(O)c1 ZINC000134143147 1175812846 /nfs/dbraw/zinc/81/28/46/1175812846.db2.gz PFPAZQWDXLORMQ-AWEZNQCLSA-N 1 0 292.379 1.307 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c(O)c1 ZINC000153939682 1178138155 /nfs/dbraw/zinc/13/81/55/1178138155.db2.gz PTDJPJVHHLCQNK-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO CNC(=O)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000722188351 743469244 /nfs/dbraw/zinc/46/92/44/743469244.db2.gz HVPRVPYTLYYZKL-UHFFFAOYSA-N 1 0 283.759 1.503 20 10 CDCDRO CC1(C)CN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1CCO ZINC000841296845 742853334 /nfs/dbraw/zinc/85/33/34/742853334.db2.gz ZUABTUAWVKAUSU-UHFFFAOYSA-N 1 0 292.383 1.189 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+]C(C)(C)C2)c1O ZINC000396067334 742859936 /nfs/dbraw/zinc/85/99/36/742859936.db2.gz NFWIGEYONXKRBW-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO C[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972596 742874385 /nfs/dbraw/zinc/87/43/85/742874385.db2.gz YFJFCZNAZIUBEI-RYUDHWBXSA-N 1 0 281.375 1.660 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000876619313 742879915 /nfs/dbraw/zinc/87/99/15/742879915.db2.gz UCTSIZOVOLVRBB-CQSZACIVSA-N 1 0 276.380 1.607 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1O ZINC000841077590 742888510 /nfs/dbraw/zinc/88/85/10/742888510.db2.gz CCBYLAPVRSILAA-QWRGUYRKSA-N 1 0 254.305 1.190 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000722357190 742962489 /nfs/dbraw/zinc/96/24/89/742962489.db2.gz VSHYIZFWTLGMGA-CQSZACIVSA-N 1 0 274.364 1.722 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000841653875 743011722 /nfs/dbraw/zinc/01/17/22/743011722.db2.gz KJUHMQBVJOXHLI-TZMCWYRMSA-N 1 0 290.411 1.631 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)C[C@@H]1OC ZINC000792713991 743091692 /nfs/dbraw/zinc/09/16/92/743091692.db2.gz QIKDXTCVZDKYAE-OKILXGFUSA-N 1 0 265.353 1.855 20 10 CDCDRO Cn1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000230882124 743158946 /nfs/dbraw/zinc/15/89/46/743158946.db2.gz CHFNHIIIKCGGBT-UHFFFAOYSA-N 1 0 275.308 1.187 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1c(C)cccc1O ZINC000876631610 743208910 /nfs/dbraw/zinc/20/89/10/743208910.db2.gz KWJFAHQNJCJZDX-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO c1cc2c(cc1C[NH2+]C[C@H]1COCCN1)CCCO2 ZINC000258874744 743221457 /nfs/dbraw/zinc/22/14/57/743221457.db2.gz IGLQVUNQMCKWPB-AWEZNQCLSA-N 1 0 262.353 1.090 20 10 CDCDRO CCOc1cccc(CNC[C@H]2C[NH2+]CCCO2)c1O ZINC000841086068 743384075 /nfs/dbraw/zinc/38/40/75/743384075.db2.gz LMOJEUBRZZJQKQ-CYBMUJFWSA-N 1 0 280.368 1.259 20 10 CDCDRO O=C1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)CN1C1CC1 ZINC000846205489 743385485 /nfs/dbraw/zinc/38/54/85/743385485.db2.gz HPIDBMVZIILMPG-FZMZJTMJSA-N 1 0 286.375 1.980 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H]1CN(C)CCO1 ZINC000840935874 743399550 /nfs/dbraw/zinc/39/95/50/743399550.db2.gz DIRFJLWZPQIGMD-PBHICJAKSA-N 1 0 291.439 1.870 20 10 CDCDRO CCOc1ccc(O)c(CN2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000843119740 743454564 /nfs/dbraw/zinc/45/45/64/743454564.db2.gz GRDVQDOCVIFFSV-NWDGAFQWSA-N 1 0 264.369 1.973 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000036795070 743503723 /nfs/dbraw/zinc/50/37/23/743503723.db2.gz WYUNUHDSUWAGKY-SNVBAGLBSA-N 1 0 266.341 1.405 20 10 CDCDRO COc1ccc(CNC(=O)CC[NH2+]C(C)(C)C)c(O)c1 ZINC000935770639 744951915 /nfs/dbraw/zinc/95/19/15/744951915.db2.gz IUUYKKGMKRSVTM-UHFFFAOYSA-N 1 0 280.368 1.795 20 10 CDCDRO C[C@H](NC(=O)NCC[NH3+])c1ccc(N(C)C)cc1 ZINC000841883015 745007428 /nfs/dbraw/zinc/00/74/28/745007428.db2.gz QSLVVHJAIJUCTF-JTQLQIEISA-N 1 0 250.346 1.072 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1F ZINC000886226678 745041742 /nfs/dbraw/zinc/04/17/42/745041742.db2.gz PTHRUVOBFCZGRD-UONOGXRCSA-N 1 0 296.386 1.911 20 10 CDCDRO Cc1ccc(C[N@H+](C)C[C@H]2COCCO2)c(O)c1 ZINC000877628526 745282373 /nfs/dbraw/zinc/28/23/73/745282373.db2.gz JEMCBDBMFWNOLG-ZDUSSCGKSA-N 1 0 251.326 1.548 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000840976144 745342424 /nfs/dbraw/zinc/34/24/24/745342424.db2.gz MJHAJHGSKDXIGR-CYBMUJFWSA-N 1 0 287.411 1.910 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764258 745363115 /nfs/dbraw/zinc/36/31/15/745363115.db2.gz YHYYBRQAPKTXNG-GASCZTMLSA-N 1 0 278.396 1.094 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=O)CCC[NH3+])C2)cc1 ZINC000831749138 745457717 /nfs/dbraw/zinc/45/77/17/745457717.db2.gz ZKFGMBUBBWNBFT-CYBMUJFWSA-N 1 0 291.395 1.377 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000790756987 745510043 /nfs/dbraw/zinc/51/00/43/745510043.db2.gz INYDWZUJQWCZLC-KGLIPLIRSA-N 1 0 297.395 1.765 20 10 CDCDRO COc1ccc(C[NH2+]CCO[C@@H]2CCOC2)cc1C ZINC000922938225 745573568 /nfs/dbraw/zinc/57/35/68/745573568.db2.gz BDDXKCWVZGBJIA-CQSZACIVSA-N 1 0 265.353 1.899 20 10 CDCDRO CC1(C)[NH2+]CC[C@H]1NCc1cc2c(cc1O)OCO2 ZINC000841085375 745599497 /nfs/dbraw/zinc/59/94/97/745599497.db2.gz AUGISJTYBGFJFM-CYBMUJFWSA-N 1 0 264.325 1.351 20 10 CDCDRO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)ccc1N(C)C ZINC000859662877 745623777 /nfs/dbraw/zinc/62/37/77/745623777.db2.gz GOOPAQNMBKKQJY-AWEZNQCLSA-N 1 0 261.369 1.511 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364497 745631596 /nfs/dbraw/zinc/63/15/96/745631596.db2.gz KNZFKTGZVKDVHZ-MWLCHTKSSA-N 1 0 280.343 1.903 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC2CCC2)c1 ZINC000182464511 745708184 /nfs/dbraw/zinc/70/81/84/745708184.db2.gz WSNAGWZURJBGBT-LLVKDONJSA-N 1 0 292.379 1.968 20 10 CDCDRO C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1O ZINC000870988482 745801648 /nfs/dbraw/zinc/80/16/48/745801648.db2.gz QPOUNJJEKHGQIH-NEPJUHHUSA-N 1 0 278.352 1.338 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc[nH]c3)cc2)CC1 ZINC000881852219 745835746 /nfs/dbraw/zinc/83/57/46/745835746.db2.gz ZHDORHSSYVMTSR-UHFFFAOYSA-N 1 0 298.390 1.697 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833942 745837049 /nfs/dbraw/zinc/83/70/49/745837049.db2.gz HYOBVOOKPXNYLO-LBPRGKRZSA-N 1 0 299.440 1.343 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CC[S@@](C)=O ZINC000877088226 745837351 /nfs/dbraw/zinc/83/73/51/745837351.db2.gz DHOGUKDYUIPSMZ-APPDUMDISA-N 1 0 255.383 1.947 20 10 CDCDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)[N@H+]1CCO ZINC000824925660 745849188 /nfs/dbraw/zinc/84/91/88/745849188.db2.gz CGHBTXGZMCJMLC-TXEJJXNPSA-N 1 0 298.814 1.933 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)ccc1N(C)C ZINC000878982272 745856513 /nfs/dbraw/zinc/85/65/13/745856513.db2.gz YPTJDKUVAWXTSM-GOEBONIOSA-N 1 0 278.396 1.379 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(F)cc(F)c1[O-] ZINC000866498493 745869550 /nfs/dbraw/zinc/86/95/50/745869550.db2.gz XXLVZTPLASPBRR-UPZJHPNMSA-N 1 0 273.279 1.471 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000840916489 745892039 /nfs/dbraw/zinc/89/20/39/745892039.db2.gz AFDODXPLKUZCIV-OAHLLOKOSA-N 1 0 275.396 1.724 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(C)cccc1O ZINC000877119155 745892300 /nfs/dbraw/zinc/89/23/00/745892300.db2.gz BSHVCVTZCQJGGI-YPMHNXCESA-N 1 0 262.353 1.705 20 10 CDCDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000817939562 745902819 /nfs/dbraw/zinc/90/28/19/745902819.db2.gz COVDUSDHLBEFNM-BJJXKVORSA-N 1 0 277.412 1.767 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC000827119556 745965397 /nfs/dbraw/zinc/96/53/97/745965397.db2.gz NHABBVUASLFTAV-HNNXBMFYSA-N 1 0 276.380 1.607 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000846169209 745988693 /nfs/dbraw/zinc/98/86/93/745988693.db2.gz YLEPSGPLXGATRU-OVWNDWIMSA-N 1 0 283.393 1.963 20 10 CDCDRO CC[C@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000077452435 746049342 /nfs/dbraw/zinc/04/93/42/746049342.db2.gz HVKGGWMRPDGLBQ-OAHLLOKOSA-N 1 0 278.396 1.774 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](C)CC(N)=O)c(O)c1 ZINC000776251238 746087001 /nfs/dbraw/zinc/08/70/01/746087001.db2.gz RTVFHOASUSDSCP-SECBINFHSA-N 1 0 252.314 1.144 20 10 CDCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877196030 746195802 /nfs/dbraw/zinc/19/58/02/746195802.db2.gz RLCCNOMIZTWBGD-ZIAGYGMSSA-N 1 0 292.423 1.897 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870936738 746202393 /nfs/dbraw/zinc/20/23/93/746202393.db2.gz OGRZCDAKLWHLCY-MQMHXKEQSA-N 1 0 261.369 1.445 20 10 CDCDRO C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841881607 746213700 /nfs/dbraw/zinc/21/37/00/746213700.db2.gz AGOGXVOIGHIEPP-AAEUAGOBSA-N 1 0 276.384 1.556 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)C(=O)N(C)OC)c1O ZINC000858325445 746330047 /nfs/dbraw/zinc/33/00/47/746330047.db2.gz YFJJVPQMOQUUAS-SNVBAGLBSA-N 1 0 282.340 1.289 20 10 CDCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000858322553 746338835 /nfs/dbraw/zinc/33/88/35/746338835.db2.gz ZZJYSXWLLLTDJI-JCNLHEQBSA-N 1 0 289.423 1.705 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)c(O)c1 ZINC000818000219 746340733 /nfs/dbraw/zinc/34/07/33/746340733.db2.gz KVIFMGXUCPNJLM-CQSZACIVSA-N 1 0 292.379 1.795 20 10 CDCDRO Cn1ncc(Cl)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841038932 746354368 /nfs/dbraw/zinc/35/43/68/746354368.db2.gz VDIWFKAWDTTWPI-UHFFFAOYSA-N 1 0 264.760 1.988 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH3+])C2)c1O ZINC000050250418 746563212 /nfs/dbraw/zinc/56/32/12/746563212.db2.gz NQGYEHXLHVPXTN-JTQLQIEISA-N 1 0 266.316 1.515 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000857226523 746769704 /nfs/dbraw/zinc/76/97/04/746769704.db2.gz QMLAUKBYTOTMEK-MLGOLLRUSA-N 1 0 292.379 1.723 20 10 CDCDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1=O ZINC000846208333 746807960 /nfs/dbraw/zinc/80/79/60/746807960.db2.gz IGPFCDDAPBODAV-RYUDHWBXSA-N 1 0 292.379 1.920 20 10 CDCDRO CC[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000028940709 746821952 /nfs/dbraw/zinc/82/19/52/746821952.db2.gz DZIUPJTUUYSNHV-UHFFFAOYSA-N 1 0 264.325 1.258 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(C)cc3O)C[C@@H]21 ZINC000877547537 746833703 /nfs/dbraw/zinc/83/37/03/746833703.db2.gz ZSXPTQJGBYXEJJ-IMRBUKKESA-N 1 0 261.321 1.551 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846073370 746834911 /nfs/dbraw/zinc/83/49/11/746834911.db2.gz UHASOGAVYCODGT-LBPRGKRZSA-N 1 0 274.364 1.801 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CC[N@@H+]1C ZINC000126500038 746837642 /nfs/dbraw/zinc/83/76/42/746837642.db2.gz VQRZPFVJIZNQPR-ZJUUUORDSA-N 1 0 264.325 1.310 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000322527531 746863416 /nfs/dbraw/zinc/86/34/16/746863416.db2.gz OJCOQAGTHPIMIP-RKDXNWHRSA-N 1 0 254.305 1.707 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1F ZINC000863862424 746889222 /nfs/dbraw/zinc/88/92/22/746889222.db2.gz RQYNOXSBYVEGLY-UHFFFAOYSA-N 1 0 293.386 1.992 20 10 CDCDRO C[NH2+]CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841936525 746914344 /nfs/dbraw/zinc/91/43/44/746914344.db2.gz NSTGSJAUZWXVTM-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCO3)CC2)c(O)c1 ZINC000876541955 746941712 /nfs/dbraw/zinc/94/17/12/746941712.db2.gz NJJFGPFXMSPFFP-INIZCTEOSA-N 1 0 290.407 1.997 20 10 CDCDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654034 747044495 /nfs/dbraw/zinc/04/44/95/747044495.db2.gz LYIGJCBVUWMDQJ-OCCSQVGLSA-N 1 0 290.411 1.631 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C[C@H]2CCCO2)c1 ZINC000886670458 747089816 /nfs/dbraw/zinc/08/98/16/747089816.db2.gz PQJUZNTZMGSTCX-OUCADQQQSA-N 1 0 295.379 1.981 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](O)C(F)(F)F ZINC000809751603 747150215 /nfs/dbraw/zinc/15/02/15/747150215.db2.gz TYLFMGTZBNMSJC-LLVKDONJSA-N 1 0 293.241 1.476 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)on1 ZINC000832286413 747157445 /nfs/dbraw/zinc/15/74/45/747157445.db2.gz ZUIPLKPXSJXOAQ-CYBMUJFWSA-N 1 0 288.351 1.479 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NCC[NH3+] ZINC000841923038 747170392 /nfs/dbraw/zinc/17/03/92/747170392.db2.gz VDFFYKNSXXCGLQ-UHFFFAOYSA-N 1 0 251.330 1.273 20 10 CDCDRO CCOc1cccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1O ZINC000070075482 747268058 /nfs/dbraw/zinc/26/80/58/747268058.db2.gz KZHQYOIZQRWTFZ-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000859831760 747383918 /nfs/dbraw/zinc/38/39/18/747383918.db2.gz BPNYVOKOJBIHEC-CALCHBBNSA-N 1 0 292.423 1.565 20 10 CDCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)N(C)C ZINC000036794323 747396959 /nfs/dbraw/zinc/39/69/59/747396959.db2.gz UOIYPQZQYGHRIV-QMMMGPOBSA-N 1 0 256.733 1.612 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H](OC)C2CCOCC2)c1 ZINC000877034982 747585427 /nfs/dbraw/zinc/58/54/27/747585427.db2.gz AOSHAKNAUVWMDA-INIZCTEOSA-N 1 0 295.379 1.932 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc1 ZINC000842220291 747652439 /nfs/dbraw/zinc/65/24/39/747652439.db2.gz ADIZYMNYESGFAQ-IUODEOHRSA-N 1 0 266.385 1.364 20 10 CDCDRO CN(C)c1cc(F)c(CN(C)CCOCCO)cc1F ZINC000862355930 747747580 /nfs/dbraw/zinc/74/75/80/747747580.db2.gz JOJJGTIAZHQWFV-UHFFFAOYSA-N 1 0 288.338 1.472 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000832750112 747809196 /nfs/dbraw/zinc/80/91/96/747809196.db2.gz JREKUJULAVBIBA-YPMHNXCESA-N 1 0 261.369 1.397 20 10 CDCDRO COc1ccc(N2CC[C@@H](N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000849349529 747851454 /nfs/dbraw/zinc/85/14/54/747851454.db2.gz CCJCSCGVXLPBOG-ZIAGYGMSSA-N 1 0 275.396 1.616 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC000788270370 747882182 /nfs/dbraw/zinc/88/21/82/747882182.db2.gz RHNFAEMHKXRDPA-ZYHUDNBSSA-N 1 0 251.326 1.746 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC1(C[NH3+])CC1 ZINC000829764582 747927939 /nfs/dbraw/zinc/92/79/39/747927939.db2.gz PQTIQKRCVUSJRF-UHFFFAOYSA-N 1 0 275.396 1.806 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C[NH+](C)C)C2)cc1 ZINC000819583086 748055571 /nfs/dbraw/zinc/05/55/71/748055571.db2.gz STHVSYDXZDANCO-ZDUSSCGKSA-N 1 0 291.395 1.199 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H](C)OC ZINC000812304517 748087943 /nfs/dbraw/zinc/08/79/43/748087943.db2.gz XEOOXXDQBHSILJ-QMTHXVAHSA-N 1 0 281.352 1.675 20 10 CDCDRO CSCC[C@H]([NH2+]Cc1ccccc1O)C(=O)N(C)C ZINC000808439050 748104807 /nfs/dbraw/zinc/10/48/07/748104807.db2.gz VGODAZMDSAIEBM-LBPRGKRZSA-N 1 0 282.409 1.692 20 10 CDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c1O ZINC000834897947 748227613 /nfs/dbraw/zinc/22/76/13/748227613.db2.gz XQWMCYULRDQGQX-GGZOMVNGSA-N 1 0 271.744 1.764 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(O)c1 ZINC000935770979 748262337 /nfs/dbraw/zinc/26/23/37/748262337.db2.gz MYCLYFUSVZHLTP-CQSZACIVSA-N 1 0 292.379 1.890 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C[C@H](O)CO)C2CC2)cc1 ZINC000929296815 748267677 /nfs/dbraw/zinc/26/76/77/748267677.db2.gz SCPWGBIDDJOQHQ-HNNXBMFYSA-N 1 0 264.369 1.070 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCCOC1 ZINC000883184367 748335200 /nfs/dbraw/zinc/33/52/00/748335200.db2.gz VELQAHMLPHWUOM-KGLIPLIRSA-N 1 0 265.353 1.923 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C)ccc1O ZINC000846053383 748356106 /nfs/dbraw/zinc/35/61/06/748356106.db2.gz PRWQWEWZLVOLBC-CHWSQXEVSA-N 1 0 251.326 1.282 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)C[NH3+] ZINC000841963012 748361887 /nfs/dbraw/zinc/36/18/87/748361887.db2.gz NQWXVRFQNOZMTH-CYBMUJFWSA-N 1 0 292.427 1.879 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000862757833 748378409 /nfs/dbraw/zinc/37/84/09/748378409.db2.gz FUZQHCNCYZGXOV-ZDUSSCGKSA-N 1 0 294.420 1.754 20 10 CDCDRO COCCNCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000817964405 748629817 /nfs/dbraw/zinc/62/98/17/748629817.db2.gz BJTCNNTVFLZPSU-JTQLQIEISA-N 1 0 272.776 1.932 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c(O)c1 ZINC000858548800 748655406 /nfs/dbraw/zinc/65/54/06/748655406.db2.gz PHQSUWQXUBPPBH-ZIAGYGMSSA-N 1 0 278.396 1.726 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(O)c1 ZINC000876743563 748713927 /nfs/dbraw/zinc/71/39/27/748713927.db2.gz ICTIVLFTXJGOCT-UHFFFAOYSA-N 1 0 274.364 1.803 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000785760920 748761418 /nfs/dbraw/zinc/76/14/18/748761418.db2.gz ORFDSLSTJJJTGJ-AWEZNQCLSA-N 1 0 266.410 1.662 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000775107909 748799401 /nfs/dbraw/zinc/79/94/01/748799401.db2.gz OUZGPUISIMPLGS-BXKDBHETSA-N 1 0 296.323 1.512 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000180851462 748885808 /nfs/dbraw/zinc/88/58/08/748885808.db2.gz YLSPQQVSTZXOFB-NEPJUHHUSA-N 1 0 265.353 1.994 20 10 CDCDRO CCS(=O)(=O)N1CCN(Cc2ccccc2O)[C@H](C)C1 ZINC000809725062 749011666 /nfs/dbraw/zinc/01/16/66/749011666.db2.gz IRONNDRPFBHAFX-GFCCVEGCSA-N 1 0 298.408 1.248 20 10 CDCDRO COCC(=O)N1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164119409 749026671 /nfs/dbraw/zinc/02/66/71/749026671.db2.gz WDTKLRAQPZWNDE-UHFFFAOYSA-N 1 0 292.379 1.300 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=O)C[NH+](C)C)C2)cc1 ZINC000819583084 749038223 /nfs/dbraw/zinc/03/82/23/749038223.db2.gz STHVSYDXZDANCO-CYBMUJFWSA-N 1 0 291.395 1.199 20 10 CDCDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000828015725 749119056 /nfs/dbraw/zinc/11/90/56/749119056.db2.gz LDGANTIXLXVMIE-IUODEOHRSA-N 1 0 262.353 1.916 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)CC(F)(F)F)c1 ZINC000717767264 749142677 /nfs/dbraw/zinc/14/26/77/749142677.db2.gz GLHTVEGVPBDSNB-SECBINFHSA-N 1 0 279.258 1.804 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCC[S@](C)=O)cc1F ZINC000858140087 749279794 /nfs/dbraw/zinc/27/97/94/749279794.db2.gz ZNYGEQVWXXWGLM-IBGZPJMESA-N 1 0 290.379 1.889 20 10 CDCDRO Nc1ccc(CC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000834849153 749286416 /nfs/dbraw/zinc/28/64/16/749286416.db2.gz RCVNDTFMIBCNOA-AWEZNQCLSA-N 1 0 261.369 1.460 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000167856552 749302697 /nfs/dbraw/zinc/30/26/97/749302697.db2.gz RBOJPAFBIXXIQW-ONGXEEELSA-N 1 0 281.327 1.937 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1Cl ZINC000862428974 749319620 /nfs/dbraw/zinc/31/96/20/749319620.db2.gz YRGODLCFOTUEAD-CQSZACIVSA-N 1 0 285.771 1.937 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)COC)c1O ZINC000069911834 749320904 /nfs/dbraw/zinc/32/09/04/749320904.db2.gz GGWCECUADFSZJM-CQSZACIVSA-N 1 0 269.341 1.278 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)c(O)c1 ZINC001206655299 1167172690 /nfs/dbraw/zinc/17/26/90/1167172690.db2.gz GQTAONSTFSSYDF-LBPRGKRZSA-N 1 0 272.295 1.569 20 10 CDCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N)cc1 ZINC001120677813 912323109 /nfs/dbraw/zinc/32/31/09/912323109.db2.gz 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ZINC001236031594 944385938 /nfs/dbraw/zinc/38/59/38/944385938.db2.gz XOSGSTXMHLJPEP-GWCFXTLKSA-N 1 0 252.745 1.887 20 10 CDCDRO COCCOc1ccc(N2CC[NH+](CCCO)CC2)cc1 ZINC001236159003 944418304 /nfs/dbraw/zinc/41/83/04/944418304.db2.gz SKXUXJSZHQEGNC-UHFFFAOYSA-N 1 0 294.395 1.216 20 10 CDCDRO C[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1Cl ZINC001236255243 944439249 /nfs/dbraw/zinc/43/92/49/944439249.db2.gz BMGSAGJWFIUMNF-UHFFFAOYSA-N 1 0 284.787 1.601 20 10 CDCDRO C[C@H]1CN(Cc2ccc(N(C)C)cc2O)C[C@H](C)[NH2+]1 ZINC001236580735 944517332 /nfs/dbraw/zinc/51/73/32/944517332.db2.gz SORVJCVJGMQWRO-RYUDHWBXSA-N 1 0 263.385 1.640 20 10 CDCDRO CC(=O)CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236930863 944618989 /nfs/dbraw/zinc/61/89/89/944618989.db2.gz GNMOQSRNELHKMO-UHFFFAOYSA-N 1 0 293.386 1.598 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001237037865 944642409 /nfs/dbraw/zinc/64/24/09/944642409.db2.gz AAMHTLPTFVVQJH-JSGCOSHPSA-N 1 0 269.316 1.696 20 10 CDCDRO Oc1ccc(O)c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237403093 944756298 /nfs/dbraw/zinc/75/62/98/944756298.db2.gz JVFNOCHJKKIPGY-SMDDNHRTSA-N 1 0 262.353 1.672 20 10 CDCDRO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c(O)c(OC)c1 ZINC001237678226 944921330 /nfs/dbraw/zinc/92/13/30/944921330.db2.gz LVGDCOWUQUMFNC-PHIMTYICSA-N 1 0 291.347 1.820 20 10 CDCDRO COc1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c(OC)c1 ZINC001237676154 944921505 /nfs/dbraw/zinc/92/15/05/944921505.db2.gz JWJFCUGYEGVLGJ-ZDUSSCGKSA-N 1 0 292.379 1.689 20 10 CDCDRO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(O)c(OC)c1 ZINC001237678597 944922898 /nfs/dbraw/zinc/92/28/98/944922898.db2.gz PPSGTCVSYMFCEM-BETUJISGSA-N 1 0 292.379 1.403 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001238057169 945041610 /nfs/dbraw/zinc/04/16/10/945041610.db2.gz JDGGNEUNNLFSLS-RYUDHWBXSA-N 1 0 257.280 1.744 20 10 CDCDRO COC(=O)c1cnc(-c2cncc(C[NH3+])c2)c2ccn(C)c21 ZINC001239791675 945585553 /nfs/dbraw/zinc/58/55/53/945585553.db2.gz KAVWAAKWYLQXCL-UHFFFAOYSA-N 1 0 296.330 1.881 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001262361527 946608913 /nfs/dbraw/zinc/60/89/13/946608913.db2.gz PUJRLYBVROBTGE-HNNXBMFYSA-N 1 0 299.367 1.287 20 10 CDCDRO COc1ccc(N2CCN([C@@H]3CCC[NH2+]C3)CC2)c(C)c1 ZINC001246931348 948527497 /nfs/dbraw/zinc/52/74/97/948527497.db2.gz ACILTTQWSIFLHB-OAHLLOKOSA-N 1 0 289.423 1.878 20 10 CDCDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)C(=O)OC(C)(C)C)c(O)c1 ZINC001253707338 952053519 /nfs/dbraw/zinc/05/35/19/952053519.db2.gz YEMBZSTZIIVBQA-CQSZACIVSA-N 1 0 295.379 1.801 20 10 CDCDRO CCc1cccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)c1O ZINC001593642532 953661188 /nfs/dbraw/zinc/66/11/88/953661188.db2.gz SBTFJTWSLXCIRN-UHFFFAOYSA-N 1 0 292.379 1.593 20 10 CDCDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000825278807 953965972 /nfs/dbraw/zinc/96/59/72/953965972.db2.gz JDAGHTISELELJL-GFCCVEGCSA-N 1 0 295.358 1.767 20 10 CDCDRO COCC(C)(C)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001336116465 955248092 /nfs/dbraw/zinc/24/80/92/955248092.db2.gz FAYNPTXUMKSIEX-UHFFFAOYSA-N 1 0 277.412 1.811 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC001333600702 958446072 /nfs/dbraw/zinc/44/60/72/958446072.db2.gz LFMJLVNLTKMPPV-NXEZZACHSA-N 1 0 251.330 1.360 20 10 CDCDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001334951714 959484383 /nfs/dbraw/zinc/48/43/83/959484383.db2.gz LKQAISYONXWKSS-PWSUYJOCSA-N 1 0 283.368 1.906 20 10 CDCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001337584619 961291140 /nfs/dbraw/zinc/29/11/40/961291140.db2.gz CTBTXNICNKSYIV-MKZZRHPPSA-N 1 0 276.380 1.261 20 10 CDCDRO O=C(NCc1cccc(O)c1O)C1CC[NH+](C2CC2)CC1 ZINC001347234925 965432508 /nfs/dbraw/zinc/43/25/08/965432508.db2.gz SCNGSYQNVRKAQM-UHFFFAOYSA-N 1 0 290.363 1.588 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001348838061 966199892 /nfs/dbraw/zinc/19/98/92/966199892.db2.gz TWEWRKQWIOFIMJ-AEGPPILISA-N 1 0 273.380 1.285 20 10 CDCDRO Nc1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC001356083332 969328902 /nfs/dbraw/zinc/32/89/02/969328902.db2.gz NLRFTEKLSCQBAO-GXTWGEPZSA-N 1 0 250.342 1.146 20 10 CDCDRO C[C@H](O)[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001356114675 969335845 /nfs/dbraw/zinc/33/58/45/969335845.db2.gz YGIDFPBDFVFZNL-HEHGZKQESA-N 1 0 279.428 1.714 20 10 CDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001357667619 969638738 /nfs/dbraw/zinc/63/87/38/969638738.db2.gz GSUVFNJUMHRJLW-ZDUSSCGKSA-N 1 0 264.373 1.441 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000187175533 290757485 /nfs/dbraw/zinc/75/74/85/290757485.db2.gz FXJXIKFEDOAVRF-MRVPVSSYSA-N 1 0 292.788 1.245 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2COCCN2)cc1C ZINC000258809696 356718769 /nfs/dbraw/zinc/71/87/69/356718769.db2.gz BKPDBLQNPJFHKS-CYBMUJFWSA-N 1 0 250.342 1.082 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)ccc1O ZINC000179943500 357232508 /nfs/dbraw/zinc/23/25/08/357232508.db2.gz FFEBPZPATSZNJX-SECBINFHSA-N 1 0 255.289 1.772 20 10 CDCDRO COc1cccc(CN2CCC[C@]23CCOC3=O)c1O ZINC000190030453 358050133 /nfs/dbraw/zinc/05/01/33/358050133.db2.gz WVUBIIBSARZVTC-OAHLLOKOSA-N 1 0 277.320 1.682 20 10 CDCDRO CNC(=O)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000273605188 359004354 /nfs/dbraw/zinc/00/43/54/359004354.db2.gz TYIAKBJONUSJDC-JTQLQIEISA-N 1 0 266.341 1.578 20 10 CDCDRO C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2O)C[C@H](C)O1 ZINC000111235100 359197172 /nfs/dbraw/zinc/19/71/72/359197172.db2.gz LSVJMRXALDOGIW-STQMWFEESA-N 1 0 292.379 1.460 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1C ZINC000037982775 359464293 /nfs/dbraw/zinc/46/42/93/359464293.db2.gz LZAXSJJAODTHMA-CYBMUJFWSA-N 1 0 283.393 1.528 20 10 CDCDRO C[S@](=O)C1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000281724903 363841755 /nfs/dbraw/zinc/84/17/55/363841755.db2.gz ITVLHBFIXMFFKL-KRWDZBQOSA-N 1 0 257.330 1.532 20 10 CDCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCNC1=O ZINC000269456097 364198307 /nfs/dbraw/zinc/19/83/07/364198307.db2.gz GZDGEZASYAXEJC-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO CCN(Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179557978 364993036 /nfs/dbraw/zinc/99/30/36/364993036.db2.gz YXBNCDSUVZSCET-LBPRGKRZSA-N 1 0 269.366 1.401 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)c1O ZINC000271759014 364995482 /nfs/dbraw/zinc/99/54/82/364995482.db2.gz DGHFEXNJDJSDSE-UHFFFAOYSA-N 1 0 291.395 1.082 20 10 CDCDRO COc1cccc(C[NH2+]C2(CO)CCOCC2)c1O ZINC000227213979 367391454 /nfs/dbraw/zinc/39/14/54/367391454.db2.gz JCADEKSHFBVAGP-UHFFFAOYSA-N 1 0 267.325 1.032 20 10 CDCDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(=O)N1CCCC1 ZINC000281519910 367651227 /nfs/dbraw/zinc/65/12/27/367651227.db2.gz XUXGKHVPITVWBB-JTQLQIEISA-N 1 0 293.323 1.401 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c(O)c1 ZINC000282325747 367832896 /nfs/dbraw/zinc/83/28/96/367832896.db2.gz LHKBBMCIQJTIJJ-SMDDNHRTSA-N 1 0 292.379 1.938 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)CC[NH2+]C)cc1 ZINC000285870480 368665652 /nfs/dbraw/zinc/66/56/52/368665652.db2.gz ZZKGJISGXVKSFL-UHFFFAOYSA-N 1 0 263.385 1.759 20 10 CDCDRO Cc1cccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000362048113 369085953 /nfs/dbraw/zinc/08/59/53/369085953.db2.gz VLTYXBHZVDDIRU-HZPDHXFCSA-N 1 0 290.407 1.732 20 10 CDCDRO Cc1cccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000362048112 369086035 /nfs/dbraw/zinc/08/60/35/369086035.db2.gz VLTYXBHZVDDIRU-HOTGVXAUSA-N 1 0 290.407 1.732 20 10 CDCDRO Cc1n[nH]c(CC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000272364172 371100753 /nfs/dbraw/zinc/10/07/53/371100753.db2.gz CHVZGQXGVQSSQH-UHFFFAOYSA-N 1 0 266.732 1.804 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N(C)C)cc1 ZINC000275048917 371198698 /nfs/dbraw/zinc/19/86/98/371198698.db2.gz ZOYGXAWSBUFYFB-SNVBAGLBSA-N 1 0 285.338 1.785 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(C)(=O)=O)c(O)c1 ZINC000293868085 378600435 /nfs/dbraw/zinc/60/04/35/378600435.db2.gz UVFXCURVKFIYSS-NSHDSACASA-N 1 0 271.382 1.704 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282169978 285134515 /nfs/dbraw/zinc/13/45/15/285134515.db2.gz JFOACFNHLPLAOU-LBPRGKRZSA-N 1 0 270.348 1.379 20 10 CDCDRO COc1cccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)c1O ZINC000106916192 390561666 /nfs/dbraw/zinc/56/16/66/390561666.db2.gz UJAKGFPSQVCMMU-ZDUSSCGKSA-N 1 0 280.368 1.603 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000119918794 390860879 /nfs/dbraw/zinc/86/08/79/390860879.db2.gz XNFFMKOOEDNWNP-GFCCVEGCSA-N 1 0 262.353 1.706 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1C ZINC000120249598 390866883 /nfs/dbraw/zinc/86/68/83/390866883.db2.gz PKRGHGZXXJAHJW-RISCZKNCSA-N 1 0 278.352 1.084 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000133340177 390902380 /nfs/dbraw/zinc/90/23/80/390902380.db2.gz HJIBTCXZSSHDCN-UHFFFAOYSA-N 1 0 278.352 1.359 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000179577740 391212647 /nfs/dbraw/zinc/21/26/47/391212647.db2.gz FUKHVOBDBAFZDP-CYBMUJFWSA-N 1 0 281.352 1.374 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000183371097 391263367 /nfs/dbraw/zinc/26/33/67/391263367.db2.gz FLQLVUVKFIQDJO-LLVKDONJSA-N 1 0 281.352 1.614 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(O)c1 ZINC000193679852 391343900 /nfs/dbraw/zinc/34/39/00/391343900.db2.gz XIFZEAFHFHLCCD-IAQYHMDHSA-N 1 0 292.379 1.795 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCC2(O)CCOCC2)cc1F ZINC000285483129 391495846 /nfs/dbraw/zinc/49/58/46/391495846.db2.gz LMPHEAIPFIMFJI-UHFFFAOYSA-N 1 0 296.386 1.913 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000289537599 391616113 /nfs/dbraw/zinc/61/61/13/391616113.db2.gz HWICPJDQFXMRIF-GDBMZVCRSA-N 1 0 290.407 1.996 20 10 CDCDRO CC(C)C(=O)NCC[NH2+]Cc1cc(Cl)ccc1O ZINC000020125297 171007889 /nfs/dbraw/zinc/00/78/89/171007889.db2.gz URYSIAZUNYRCMC-UHFFFAOYSA-N 1 0 270.760 1.907 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1COCCO1)c1ccccc1O ZINC000038060225 174070591 /nfs/dbraw/zinc/07/05/91/174070591.db2.gz VOUZJJOSIHZPBA-WCQYABFASA-N 1 0 251.326 1.848 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038083267 174092570 /nfs/dbraw/zinc/09/25/70/174092570.db2.gz RCJRJCPSWZXEIY-NWDGAFQWSA-N 1 0 283.393 1.786 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1O ZINC000036932840 260157057 /nfs/dbraw/zinc/15/70/57/260157057.db2.gz VFNAWOLCRQTDRF-GFCCVEGCSA-N 1 0 250.342 1.203 20 10 CDCDRO Oc1c(F)cccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160247682 261209227 /nfs/dbraw/zinc/20/92/27/261209227.db2.gz PPQDIKRWBZERNN-GFCCVEGCSA-N 1 0 250.317 1.811 20 10 CDCDRO OCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccco1 ZINC000184508524 262021528 /nfs/dbraw/zinc/02/15/28/262021528.db2.gz PLEYVIVXKYWCSX-NSHDSACASA-N 1 0 291.303 1.927 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000184670143 262026069 /nfs/dbraw/zinc/02/60/69/262026069.db2.gz MNVPICDTYNBXBC-SECBINFHSA-N 1 0 298.770 1.752 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000184722034 262027169 /nfs/dbraw/zinc/02/71/69/262027169.db2.gz GXWQSKIRQHVDRP-UHFFFAOYSA-N 1 0 267.300 1.870 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000186177617 262082661 /nfs/dbraw/zinc/08/26/61/262082661.db2.gz ZFWRFAQUJIQDOK-FZMZJTMJSA-N 1 0 251.326 1.503 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C(N)=O)c1 ZINC000186220382 262312284 /nfs/dbraw/zinc/31/22/84/262312284.db2.gz YINIDERFVARCHB-VIFPVBQESA-N 1 0 266.341 1.563 20 10 CDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000367700771 267110925 /nfs/dbraw/zinc/11/09/25/267110925.db2.gz CVHOCZOLJHFHCW-VIFPVBQESA-N 1 0 252.289 1.229 20 10 CDCDRO Nc1ccc(CC(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC000368826441 267207614 /nfs/dbraw/zinc/20/76/14/267207614.db2.gz VLDLFIJKTSWESV-UHFFFAOYSA-N 1 0 287.407 1.804 20 10 CDCDRO COCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000152118104 277533308 /nfs/dbraw/zinc/53/33/08/277533308.db2.gz GDSSQJIGRVVWQL-UHFFFAOYSA-N 1 0 264.369 1.900 20 10 CDCDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037262753 279579985 /nfs/dbraw/zinc/57/99/85/279579985.db2.gz CGMZOFDAWYADDB-GFCCVEGCSA-N 1 0 263.385 1.928 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000179585827 329210154 /nfs/dbraw/zinc/21/01/54/329210154.db2.gz IAOCGWJPJLYFRL-GJZGRUSLSA-N 1 0 263.337 1.772 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000187986685 329364673 /nfs/dbraw/zinc/36/46/73/329364673.db2.gz QEHRNRVTVRUSCJ-CMPLNLGQSA-N 1 0 251.326 1.651 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCOCC2)c(O)c1C ZINC000273517863 518189728 /nfs/dbraw/zinc/18/97/28/518189728.db2.gz SVLBJHHOFYCOSC-ZDUSSCGKSA-N 1 0 292.379 1.518 20 10 CDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000276554940 520252427 /nfs/dbraw/zinc/25/24/27/520252427.db2.gz ILLNPBQFWHMHDY-SNVBAGLBSA-N 1 0 296.342 1.651 20 10 CDCDRO CCC(CC)(CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000053066983 521458956 /nfs/dbraw/zinc/45/89/56/521458956.db2.gz VUIRIDJLPKTRDH-UHFFFAOYSA-N 1 0 267.325 1.762 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000278245134 521874090 /nfs/dbraw/zinc/87/40/90/521874090.db2.gz OOVGMOQJANGFHY-VIFPVBQESA-N 1 0 282.296 1.123 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289481548 523594291 /nfs/dbraw/zinc/59/42/91/523594291.db2.gz BXKAPHRGPXDDAA-OCCSQVGLSA-N 1 0 293.386 1.896 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000367738459 524392784 /nfs/dbraw/zinc/39/27/84/524392784.db2.gz AVHLDNUOBCEVPQ-CQSZACIVSA-N 1 0 289.379 1.690 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000037782227 526037644 /nfs/dbraw/zinc/03/76/44/526037644.db2.gz YPJGHBCVZINZFX-LLVKDONJSA-N 1 0 278.352 1.501 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)[C@H]1CCOC1 ZINC000280365649 527580213 /nfs/dbraw/zinc/58/02/13/527580213.db2.gz UHGUOKXJYIKVFY-QWHCGFSZSA-N 1 0 251.326 1.127 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)[C@@H]1CCOC1 ZINC000280365645 527581073 /nfs/dbraw/zinc/58/10/73/527581073.db2.gz UHGUOKXJYIKVFY-CHWSQXEVSA-N 1 0 251.326 1.127 20 10 CDCDRO CCNC(=O)C1(C[NH2+]Cc2c(O)cccc2OC)CCC1 ZINC000752933833 574727651 /nfs/dbraw/zinc/72/76/51/574727651.db2.gz RNUZCAFMJNQTKN-UHFFFAOYSA-N 1 0 292.379 1.797 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000770382894 575444114 /nfs/dbraw/zinc/44/41/14/575444114.db2.gz SVQGUVNJCGQACL-LBPRGKRZSA-N 1 0 264.325 1.111 20 10 CDCDRO C[N@H+](CCCN1CCOC1=O)Cc1ccccc1O ZINC000731843106 575065067 /nfs/dbraw/zinc/06/50/67/575065067.db2.gz VVZNIAXVVDKCDH-UHFFFAOYSA-N 1 0 264.325 1.666 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774904257 575249817 /nfs/dbraw/zinc/24/98/17/575249817.db2.gz FGCJTDWHFDMKDQ-JTQLQIEISA-N 1 0 296.323 1.920 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1C ZINC000769516543 575354918 /nfs/dbraw/zinc/35/49/18/575354918.db2.gz MSXUYVNGRWFUCV-AAEUAGOBSA-N 1 0 263.337 1.942 20 10 CDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000734843805 575387105 /nfs/dbraw/zinc/38/71/05/575387105.db2.gz CCJIRZMSNJVSSK-INIZCTEOSA-N 1 0 294.370 1.523 20 10 CDCDRO CCOC(=O)C1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000770665974 575483670 /nfs/dbraw/zinc/48/36/70/575483670.db2.gz QUWGYGUNAGTKNR-UHFFFAOYSA-N 1 0 267.300 1.964 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cc(C)ccc2O)CCCOC1 ZINC000770675610 575484311 /nfs/dbraw/zinc/48/43/11/575484311.db2.gz PAKYLJAIYAZUTM-MRXNPFEDSA-N 1 0 293.363 1.903 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC000768137295 576260036 /nfs/dbraw/zinc/26/00/36/576260036.db2.gz IXKYIWKZDZWNGG-LLVKDONJSA-N 1 0 264.325 1.098 20 10 CDCDRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768142722 576260870 /nfs/dbraw/zinc/26/08/70/576260870.db2.gz MPBMLYIIUPCRDA-KRWDZBQOSA-N 1 0 290.407 1.870 20 10 CDCDRO CCNC(=O)C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768440627 576282727 /nfs/dbraw/zinc/28/27/27/576282727.db2.gz RUTJJMQGFGEZHF-UHFFFAOYSA-N 1 0 276.380 1.839 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC000769206534 576337363 /nfs/dbraw/zinc/33/73/63/576337363.db2.gz OZQXNXILVQXDIX-CYBMUJFWSA-N 1 0 290.363 1.598 20 10 CDCDRO CCCN(CC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000769347224 576347843 /nfs/dbraw/zinc/34/78/43/576347843.db2.gz VQXLIIQCAPLMNY-UHFFFAOYSA-N 1 0 256.371 1.868 20 10 CDCDRO CC[N@@H+]1CCN(Cc2c(O)cccc2OC)C[C@@H]1C ZINC000769379548 576350599 /nfs/dbraw/zinc/35/05/99/576350599.db2.gz BNYBWJBVDMYSTE-LBPRGKRZSA-N 1 0 264.369 1.927 20 10 CDCDRO COCC1(O)CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769451785 576355036 /nfs/dbraw/zinc/35/50/36/576355036.db2.gz NWPPEEIMZWCHKH-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO CC[N@H+](CCCO)Cc1ccc(N2CCOCC2)cc1 ZINC000769484745 576358319 /nfs/dbraw/zinc/35/83/19/576358319.db2.gz YAWATLUPHLAUDU-UHFFFAOYSA-N 1 0 278.396 1.728 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000761223918 576561120 /nfs/dbraw/zinc/56/11/20/576561120.db2.gz VCNKQELSMTUBLD-ZFWWWQNUSA-N 1 0 281.352 1.684 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C2CC(O)C2)cc1F ZINC000761222192 576561174 /nfs/dbraw/zinc/56/11/74/576561174.db2.gz IUPYCJIOFJANCP-UHFFFAOYSA-N 1 0 252.333 1.847 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000761222162 576561291 /nfs/dbraw/zinc/56/12/91/576561291.db2.gz IMCWPUUSELAHHU-GXTWGEPZSA-N 1 0 269.316 1.815 20 10 CDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000748373447 576909333 /nfs/dbraw/zinc/90/93/33/576909333.db2.gz TWVWYUVDNSDIMV-SNVBAGLBSA-N 1 0 268.382 1.868 20 10 CDCDRO CO[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000752321981 577099855 /nfs/dbraw/zinc/09/98/55/577099855.db2.gz LJJKLFPRQLNTTR-OAHLLOKOSA-N 1 0 291.395 1.090 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1O ZINC000892091901 617476313 /nfs/dbraw/zinc/47/63/13/617476313.db2.gz INPRBNKSDBJZEV-GMXVVIOVSA-N 1 0 277.368 1.750 20 10 CDCDRO CN(C)c1ccc(CNc2cc[nH+]cc2CO)cc1F ZINC000892131467 617496893 /nfs/dbraw/zinc/49/68/93/617496893.db2.gz IZSLEFKKUWLLEZ-UHFFFAOYSA-N 1 0 275.327 1.813 20 10 CDCDRO C[C@H](CCC[NH3+])NC(=O)N[C@H](C)c1ccccc1O ZINC000892141164 617503601 /nfs/dbraw/zinc/50/36/01/617503601.db2.gz OBVPUIIMFDALCJ-GHMZBOCLSA-N 1 0 265.357 1.880 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H](C)CCC[NH3+])c1ccccc1O ZINC000892141168 617503829 /nfs/dbraw/zinc/50/38/29/617503829.db2.gz OBVPUIIMFDALCJ-WDEREUQCSA-N 1 0 265.357 1.880 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000840952723 617742269 /nfs/dbraw/zinc/74/22/69/617742269.db2.gz HOPMOSBRBYPPEH-GXTWGEPZSA-N 1 0 275.396 1.805 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933965770 617824018 /nfs/dbraw/zinc/82/40/18/617824018.db2.gz HCXUYHQSINUJKZ-JKSUJKDBSA-N 1 0 276.380 1.742 20 10 CDCDRO O=C(NC[C@H]1CCCC[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000891970368 617907418 /nfs/dbraw/zinc/90/74/18/617907418.db2.gz FYLMHDAKMUUGSN-GFCCVEGCSA-N 1 0 275.352 1.560 20 10 CDCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709087 617990902 /nfs/dbraw/zinc/99/09/02/617990902.db2.gz APTNYPHHFZGXPR-ZDUSSCGKSA-N 1 0 290.411 1.823 20 10 CDCDRO C[NH2+]CCN(C)Cc1cc(Br)ccc1O ZINC000220342772 620783513 /nfs/dbraw/zinc/78/35/13/620783513.db2.gz AGUZVDBSGMINQZ-UHFFFAOYSA-N 1 0 273.174 1.806 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(O)c1OC ZINC000894255459 618280068 /nfs/dbraw/zinc/28/00/68/618280068.db2.gz ZDSPNDCBRUUGHA-BXKDBHETSA-N 1 0 294.351 1.024 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c(O)c1OC ZINC000894043473 618289241 /nfs/dbraw/zinc/28/92/41/618289241.db2.gz RLTMRTMRUWPLQK-ZYHUDNBSSA-N 1 0 281.352 1.924 20 10 CDCDRO COc1ccc(C[NH2+]CCCCO)c(O)c1OC ZINC000894081804 618339367 /nfs/dbraw/zinc/33/93/67/618339367.db2.gz FFHSQYBKEWCIHO-UHFFFAOYSA-N 1 0 255.314 1.272 20 10 CDCDRO CCOc1ccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c(O)c1 ZINC000843057039 618691176 /nfs/dbraw/zinc/69/11/76/618691176.db2.gz FOBBUMIEQGLBFN-IAQYHMDHSA-N 1 0 280.368 1.339 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000843056951 618691276 /nfs/dbraw/zinc/69/12/76/618691276.db2.gz DCSRJWJQSMDUFD-VHSXEESVSA-N 1 0 295.339 1.478 20 10 CDCDRO C[NH2+]CCN(C)Cc1cc(OC)c(OC)cc1O ZINC000843057933 618691839 /nfs/dbraw/zinc/69/18/39/618691839.db2.gz ZQGVADRVWIUJTQ-UHFFFAOYSA-N 1 0 254.330 1.061 20 10 CDCDRO COC(=O)c1c(C[NH2+]C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894358558 618818598 /nfs/dbraw/zinc/81/85/98/618818598.db2.gz GYNFZTPVWUARKD-VIFPVBQESA-N 1 0 294.326 1.574 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(=O)NC ZINC000894948865 619161448 /nfs/dbraw/zinc/16/14/48/619161448.db2.gz KGOHJLAWDINMMY-NSHDSACASA-N 1 0 266.341 1.323 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882571 619471320 /nfs/dbraw/zinc/47/13/20/619471320.db2.gz KLVOMBDLTAIDTK-RYUDHWBXSA-N 1 0 278.400 1.850 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1OC ZINC000897679584 621066585 /nfs/dbraw/zinc/06/65/85/621066585.db2.gz BGXMECJXTJOHHW-JOYOIKCWSA-N 1 0 267.325 1.222 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897684688 621073121 /nfs/dbraw/zinc/07/31/21/621073121.db2.gz VEXIDDYYVOLFPN-QMTHXVAHSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC[C@@H](O)C2CC2)cc1OC ZINC000898202955 621359916 /nfs/dbraw/zinc/35/99/16/621359916.db2.gz OPTGCPVODHNGQX-GFCCVEGCSA-N 1 0 281.352 1.660 20 10 CDCDRO [NH3+][C@@H](CNCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841049639 621595639 /nfs/dbraw/zinc/59/56/39/621595639.db2.gz MPLURLNEHYFNDV-INIZCTEOSA-N 1 0 275.396 1.350 20 10 CDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841098887 630569127 /nfs/dbraw/zinc/56/91/27/630569127.db2.gz JXSDAWCPIXPLFR-NSHDSACASA-N 1 0 256.733 1.124 20 10 CDCDRO C[C@H](O)[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929973290 632192930 /nfs/dbraw/zinc/19/29/30/632192930.db2.gz YBWUEGKAIHMRKU-NOLJZWGESA-N 1 0 295.379 1.115 20 10 CDCDRO OC1CCN(c2ccc(CN3CCC[NH2+]CC3)cc2)CC1 ZINC001204667594 1159780693 /nfs/dbraw/zinc/78/06/93/1159780693.db2.gz NKFDJPQAXKBRFC-UHFFFAOYSA-N 1 0 289.423 1.443 20 10 CDCDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001576532109 1171448641 /nfs/dbraw/zinc/44/86/41/1171448641.db2.gz ZFPIQGHZJDYADW-ABAIWWIYSA-N 1 0 278.352 1.622 20 10 CDCDRO COc1cc(C)cc(CN[C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1O ZINC001579144335 1172105567 /nfs/dbraw/zinc/10/55/67/1172105567.db2.gz DSSUOTYIROQKJU-AGIUHOORSA-N 1 0 262.353 1.692 20 10 CDCDRO CC(C)CNC(=O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000134637191 1175820789 /nfs/dbraw/zinc/82/07/89/1175820789.db2.gz VUIMPHHNNQNMLU-UHFFFAOYSA-N 1 0 270.760 1.907 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000130415711 751347617 /nfs/dbraw/zinc/34/76/17/751347617.db2.gz ZHHNMLNAEMJXPC-LLVKDONJSA-N 1 0 253.321 1.245 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876660382 751363554 /nfs/dbraw/zinc/36/35/54/751363554.db2.gz SCVHFBBBAOPRPP-HNNXBMFYSA-N 1 0 290.407 1.462 20 10 CDCDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000842226938 751459591 /nfs/dbraw/zinc/45/95/91/751459591.db2.gz QTEBDWVJZMMORQ-KBPBESRZSA-N 1 0 265.353 1.233 20 10 CDCDRO CCOc1cccc(C[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000037138406 751473696 /nfs/dbraw/zinc/47/36/96/751473696.db2.gz PUWQEQKAYSWXGZ-UHFFFAOYSA-N 1 0 292.379 1.891 20 10 CDCDRO CN(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000779432648 751474480 /nfs/dbraw/zinc/47/44/80/751474480.db2.gz YIOZFPLVYGYMBI-UHFFFAOYSA-N 1 0 285.775 1.749 20 10 CDCDRO CC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000310862615 751481427 /nfs/dbraw/zinc/48/14/27/751481427.db2.gz RVZCHUAAJYFUFS-JTQLQIEISA-N 1 0 253.298 1.636 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000708548242 751481725 /nfs/dbraw/zinc/48/17/25/751481725.db2.gz DDIKVUXGPULJKR-KWQFWETISA-N 1 0 257.280 1.921 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000876726455 751484697 /nfs/dbraw/zinc/48/46/97/751484697.db2.gz GZAOKPRMFPZBJS-CYBMUJFWSA-N 1 0 291.395 1.137 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CCF)c1 ZINC000846097471 753525166 /nfs/dbraw/zinc/52/51/66/753525166.db2.gz PILMMEXHLIZKMA-UWVGGRQHSA-N 1 0 257.305 1.772 20 10 CDCDRO OC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834761958 751648515 /nfs/dbraw/zinc/64/85/15/751648515.db2.gz WJLOSYVPVVFREP-KGLIPLIRSA-N 1 0 277.364 1.757 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000825103839 751796449 /nfs/dbraw/zinc/79/64/49/751796449.db2.gz JEAHEBUVDNHFEU-LDYMZIIASA-N 1 0 282.296 1.264 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000846146647 751802073 /nfs/dbraw/zinc/80/20/73/751802073.db2.gz RTLRMCAUKUKLPZ-STQMWFEESA-N 1 0 293.411 1.297 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CNCCO2)cc1 ZINC000817983743 751818996 /nfs/dbraw/zinc/81/89/96/751818996.db2.gz PIYGZHZGBWMDRA-BBRMVZONSA-N 1 0 277.412 1.782 20 10 CDCDRO CON(C)C(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877544061 751824046 /nfs/dbraw/zinc/82/40/46/751824046.db2.gz LGBMUHBWRTYGPT-UHFFFAOYSA-N 1 0 292.379 1.932 20 10 CDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCOC1 ZINC000922183905 751827528 /nfs/dbraw/zinc/82/75/28/751827528.db2.gz CKLSZEOORPNVMM-HOTGVXAUSA-N 1 0 291.391 1.889 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167676 751839354 /nfs/dbraw/zinc/83/93/54/751839354.db2.gz ASBVLCNNHZDVKS-VHSXEESVSA-N 1 0 266.341 1.576 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1O ZINC000857061087 751848507 /nfs/dbraw/zinc/84/85/07/751848507.db2.gz JMZVIMAIWYSTDM-DGCLKSJQSA-N 1 0 265.353 1.851 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(F)ccc1O ZINC000858602098 751880129 /nfs/dbraw/zinc/88/01/29/751880129.db2.gz QAMYAYAMWRSXNG-JQWIXIFHSA-N 1 0 268.332 1.249 20 10 CDCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000782980006 751929472 /nfs/dbraw/zinc/92/94/72/751929472.db2.gz SDEHBVNAMVXWHQ-OLZOCXBDSA-N 1 0 296.386 1.911 20 10 CDCDRO COc1ccc(O)c(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000841105283 751943057 /nfs/dbraw/zinc/94/30/57/751943057.db2.gz HVUQSRJFSXCJDM-HNNXBMFYSA-N 1 0 262.353 1.729 20 10 CDCDRO Oc1cccc(Br)c1C[N@H+]1CC[C@@H](O)C1 ZINC000862217162 751957305 /nfs/dbraw/zinc/95/73/05/751957305.db2.gz YOZBXZNEABWZMD-MRVPVSSYSA-N 1 0 272.142 1.721 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818985519 752036454 /nfs/dbraw/zinc/03/64/54/752036454.db2.gz VXJYRAQAJPXTPF-CYBMUJFWSA-N 1 0 284.375 1.769 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000877629562 752038012 /nfs/dbraw/zinc/03/80/12/752038012.db2.gz VRHYTCKAYJNADX-OCCSQVGLSA-N 1 0 274.364 1.801 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000822520706 752050730 /nfs/dbraw/zinc/05/07/30/752050730.db2.gz MOCAHMNZXPAIIR-CQSZACIVSA-N 1 0 289.379 1.298 20 10 CDCDRO CC[C@@H](CO)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000931530735 752126553 /nfs/dbraw/zinc/12/65/53/752126553.db2.gz OMGPRVUTZAEJET-ZDUSSCGKSA-N 1 0 294.395 1.597 20 10 CDCDRO Cc1cc(O)c(CNC[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000825131375 752179667 /nfs/dbraw/zinc/17/96/67/752179667.db2.gz NBUAQEJPWCBZEH-CYBMUJFWSA-N 1 0 298.814 1.900 20 10 CDCDRO Cc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)c(O)c1 ZINC000877499157 752180577 /nfs/dbraw/zinc/18/05/77/752180577.db2.gz LVYVIENUTNNECB-QGZVFWFLSA-N 1 0 253.367 1.701 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(F)ccc1O ZINC000834905869 752238578 /nfs/dbraw/zinc/23/85/78/752238578.db2.gz AASQQNDJEORLPV-WCABBAIRSA-N 1 0 266.316 1.836 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H]1OC ZINC000877475125 752302491 /nfs/dbraw/zinc/30/24/91/752302491.db2.gz MFXKCCYBEVVETP-OKILXGFUSA-N 1 0 251.326 1.546 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000852834756 749404385 /nfs/dbraw/zinc/40/43/85/749404385.db2.gz ATBYICFSSRTTEQ-HNNXBMFYSA-N 1 0 293.411 1.588 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877573060 749488235 /nfs/dbraw/zinc/48/82/35/749488235.db2.gz KZZDMMGXUOXECQ-OAHLLOKOSA-N 1 0 265.353 1.531 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1O ZINC000858548859 749510640 /nfs/dbraw/zinc/51/06/40/749510640.db2.gz PWXHGOJUQSKOBQ-VXGBXAGGSA-N 1 0 250.342 1.109 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](C)O ZINC000819374544 749628649 /nfs/dbraw/zinc/62/86/49/749628649.db2.gz FYVXOZNZUMJUBR-QWHCGFSZSA-N 1 0 250.386 1.962 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000382570594 749634556 /nfs/dbraw/zinc/63/45/56/749634556.db2.gz QVZOPCDYCOEEDO-SWLSCSKDSA-N 1 0 266.385 1.801 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000858322709 749687976 /nfs/dbraw/zinc/68/79/76/749687976.db2.gz GJSZGKCMPPVVOK-SSDOTTSWSA-N 1 0 290.722 1.683 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000846168310 749711702 /nfs/dbraw/zinc/71/17/02/749711702.db2.gz RYIVIIWDWSDJKM-NXEZZACHSA-N 1 0 284.331 1.526 20 10 CDCDRO COCCN(C)C(=[NH2+])NCc1cccc(OC)c1O ZINC000871604138 749774396 /nfs/dbraw/zinc/77/43/96/749774396.db2.gz VIQVUTNKKWYOOF-UHFFFAOYSA-N 1 0 267.329 1.003 20 10 CDCDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCOC1 ZINC000922086489 749847617 /nfs/dbraw/zinc/84/76/17/749847617.db2.gz MBRGLJSDGFVSTF-CVEARBPZSA-N 1 0 291.391 1.746 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNC(=O)C1CC1 ZINC000840928568 749857327 /nfs/dbraw/zinc/85/73/27/749857327.db2.gz YZYOHZDNXYBSHY-UHFFFAOYSA-N 1 0 275.396 1.677 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCNC2=O)cc1C ZINC000839195344 749899900 /nfs/dbraw/zinc/89/99/00/749899900.db2.gz HFBQRFCCGWWBEI-GFCCVEGCSA-N 1 0 262.353 1.625 20 10 CDCDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(O)c1O ZINC000312049296 749925644 /nfs/dbraw/zinc/92/56/44/749925644.db2.gz WMBICONETCZDRN-GXSJLCMTSA-N 1 0 264.325 1.262 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]2O)cc1OC ZINC000835080016 749983561 /nfs/dbraw/zinc/98/35/61/749983561.db2.gz JCXUNMUVEHXLPN-GHMZBOCLSA-N 1 0 267.325 1.412 20 10 CDCDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000381136416 749987916 /nfs/dbraw/zinc/98/79/16/749987916.db2.gz IXXVXEPVPGCCTM-GXTWGEPZSA-N 1 0 275.396 1.899 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c(O)c1 ZINC000385316831 750048371 /nfs/dbraw/zinc/04/83/71/750048371.db2.gz GPVVXLUGEHPUCD-GXFFZTMASA-N 1 0 251.326 1.915 20 10 CDCDRO C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841882334 750109336 /nfs/dbraw/zinc/10/93/36/750109336.db2.gz JKGCNLYWPDAJSK-GXTWGEPZSA-N 1 0 290.411 1.817 20 10 CDCDRO C[C@H](NC1C[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817955116 750173675 /nfs/dbraw/zinc/17/36/75/750173675.db2.gz QNDKJKMSEGXRNQ-NSHDSACASA-N 1 0 279.359 1.285 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000382568224 750231485 /nfs/dbraw/zinc/23/14/85/750231485.db2.gz OXWZXBQWGHHBON-RISCZKNCSA-N 1 0 251.326 1.367 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)[NH3+])c1 ZINC000841990319 750241209 /nfs/dbraw/zinc/24/12/09/750241209.db2.gz ZLWUEWULXQLPEI-BDAKNGLRSA-N 1 0 267.329 1.108 20 10 CDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000831117410 750276770 /nfs/dbraw/zinc/27/67/70/750276770.db2.gz VXRQKRQREJXROY-QWRGUYRKSA-N 1 0 296.390 1.817 20 10 CDCDRO C[C@@H](NC(=O)CC[NH2+]CC1CC1)c1ccccc1O ZINC000870988529 750355757 /nfs/dbraw/zinc/35/57/57/750355757.db2.gz RSXGDCGSMUFOOW-LLVKDONJSA-N 1 0 262.353 1.959 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH3+])CCC2)c1 ZINC000828666461 750398041 /nfs/dbraw/zinc/39/80/41/750398041.db2.gz DLWHCRCVMHLMTJ-VIFPVBQESA-N 1 0 264.325 1.459 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922180587 750409138 /nfs/dbraw/zinc/40/91/38/750409138.db2.gz JDYQSIQUYOKAKO-AWEZNQCLSA-N 1 0 274.364 1.627 20 10 CDCDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941673 750448267 /nfs/dbraw/zinc/44/82/67/750448267.db2.gz NMPNCIBSNUNSLC-CZUORRHYSA-N 1 0 296.411 1.255 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1O ZINC000846167848 750474256 /nfs/dbraw/zinc/47/42/56/750474256.db2.gz FSDQRPUOXKTPQW-NXEZZACHSA-N 1 0 264.325 1.188 20 10 CDCDRO CC(=O)N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000125239029 750529521 /nfs/dbraw/zinc/52/95/21/750529521.db2.gz IPXHJBVRDKNROL-UHFFFAOYSA-N 1 0 262.353 1.673 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377134 750585670 /nfs/dbraw/zinc/58/56/70/750585670.db2.gz MZRSSONHKOBTEC-BBRMVZONSA-N 1 0 280.412 1.589 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000313963681 750618659 /nfs/dbraw/zinc/61/86/59/750618659.db2.gz CBJQMBNNWOLHJN-UHFFFAOYSA-N 1 0 299.342 1.565 20 10 CDCDRO C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000827725651 750648066 /nfs/dbraw/zinc/64/80/66/750648066.db2.gz JOYOWBXWXASZJP-SWLSCSKDSA-N 1 0 289.379 1.062 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c(O)c1 ZINC000876582151 750813059 /nfs/dbraw/zinc/81/30/59/750813059.db2.gz ULHGPXRPIBFQLZ-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)C[C@H](C)O)cc1OC ZINC000783602426 750839462 /nfs/dbraw/zinc/83/94/62/750839462.db2.gz LDDDMISUUNORGG-ZJUUUORDSA-N 1 0 269.341 1.658 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCCCC1 ZINC000126360038 750850043 /nfs/dbraw/zinc/85/00/43/750850043.db2.gz FORPPNGPDIISAD-NSHDSACASA-N 1 0 278.352 1.702 20 10 CDCDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000311001029 750853587 /nfs/dbraw/zinc/85/35/87/750853587.db2.gz XROPUHRJIOTBBQ-NSHDSACASA-N 1 0 271.382 1.866 20 10 CDCDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817979640 750855319 /nfs/dbraw/zinc/85/53/19/750855319.db2.gz CINCVFCBHITNRV-CJNGLKHVSA-N 1 0 277.412 1.782 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N2CC[NH2+]CC2)cc1 ZINC000841719386 750860795 /nfs/dbraw/zinc/86/07/95/750860795.db2.gz KZRUSNDBZATGAM-UHFFFAOYSA-N 1 0 290.411 1.648 20 10 CDCDRO CN(C)C(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000037751575 750872297 /nfs/dbraw/zinc/87/22/97/750872297.db2.gz PJGQHDJTTREWAL-UHFFFAOYSA-N 1 0 256.733 1.614 20 10 CDCDRO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(O)c1O ZINC000836850808 750874919 /nfs/dbraw/zinc/87/49/19/750874919.db2.gz ZEKZQRQTTZDNLA-PWSUYJOCSA-N 1 0 276.336 1.182 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)C[NH3+] ZINC000841825747 750889382 /nfs/dbraw/zinc/88/93/82/750889382.db2.gz CQJBPKJYFBJBJP-LLVKDONJSA-N 1 0 278.400 1.455 20 10 CDCDRO CC(C)(C[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827005131 750904639 /nfs/dbraw/zinc/90/46/39/750904639.db2.gz PQWBMIDGNNEVEP-UHFFFAOYSA-N 1 0 275.396 1.888 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000809981042 751044618 /nfs/dbraw/zinc/04/46/18/751044618.db2.gz XTQKXNWQHHJULL-SUMWQHHRSA-N 1 0 291.439 1.858 20 10 CDCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877587428 751247796 /nfs/dbraw/zinc/24/77/96/751247796.db2.gz LAGRROKUMCOAEY-CYBMUJFWSA-N 1 0 292.379 1.237 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCSC[C@@H]2CO)c(O)c1 ZINC000877779956 751248028 /nfs/dbraw/zinc/24/80/28/751248028.db2.gz INNKRUAAAUPQDX-LBPRGKRZSA-N 1 0 253.367 1.610 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC000793286098 751316718 /nfs/dbraw/zinc/31/67/18/751316718.db2.gz OORNQOSNCHBHIN-ZDUSSCGKSA-N 1 0 292.379 1.749 20 10 CDCDRO Cc1ccc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c(O)c1 ZINC000876779932 752359245 /nfs/dbraw/zinc/35/92/45/752359245.db2.gz OHNANBMPGGPDBS-UHFFFAOYSA-N 1 0 285.409 1.956 20 10 CDCDRO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)C)c(O)c1 ZINC000876548875 752394995 /nfs/dbraw/zinc/39/49/95/752394995.db2.gz ATKBLJYWEWJCQL-UHFFFAOYSA-N 1 0 250.342 1.657 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@@H]21 ZINC000794968174 752509577 /nfs/dbraw/zinc/50/95/77/752509577.db2.gz PPKZWOKOOLOHHO-FICVDOATSA-N 1 0 274.364 1.603 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852437800 752606665 /nfs/dbraw/zinc/60/66/65/752606665.db2.gz HYKISHVRXPLAKJ-HNNXBMFYSA-N 1 0 289.379 1.779 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@](C)(O)C2CC2)cc1OC ZINC000776173952 752672264 /nfs/dbraw/zinc/67/22/64/752672264.db2.gz FDDRVLQRGTYNNY-HNNXBMFYSA-N 1 0 281.352 1.660 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000139745250 752691194 /nfs/dbraw/zinc/69/11/94/752691194.db2.gz OXZUTWPIUXUTEE-HNNXBMFYSA-N 1 0 294.370 1.828 20 10 CDCDRO C[NH+](C)CCCNC(=O)CSc1ncc(Cl)s1 ZINC000850000518 752731870 /nfs/dbraw/zinc/73/18/70/752731870.db2.gz XWYVVXKBAVUPSR-UHFFFAOYSA-N 1 0 293.845 1.957 20 10 CDCDRO CCOc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC000843049390 752741976 /nfs/dbraw/zinc/74/19/76/752741976.db2.gz MSGUXAIAVPTENW-TXEJJXNPSA-N 1 0 264.369 1.973 20 10 CDCDRO CC[C@]1(O)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000779217729 752790618 /nfs/dbraw/zinc/79/06/18/752790618.db2.gz AEVMRTRCWOEAPR-AWEZNQCLSA-N 1 0 265.309 1.468 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H](CO)[C@@H](C)O)ccc1OC ZINC000842220949 752803453 /nfs/dbraw/zinc/80/34/53/752803453.db2.gz LDEDBJFCTRTJNL-BXUZGUMPSA-N 1 0 283.368 1.063 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(CO)CCOCC1 ZINC000840934368 752804210 /nfs/dbraw/zinc/80/42/10/752804210.db2.gz PSIWHUJOCSAXKW-UHFFFAOYSA-N 1 0 278.396 1.692 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(CO)CCOCC1 ZINC000877115388 752831576 /nfs/dbraw/zinc/83/15/76/752831576.db2.gz DNFKYMFAFDMCSK-UHFFFAOYSA-N 1 0 265.353 1.579 20 10 CDCDRO CNC(=O)CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398713 752857608 /nfs/dbraw/zinc/85/76/08/752857608.db2.gz AAWIVNUJBVQJJV-UHFFFAOYSA-N 1 0 279.384 1.199 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1ccccc1O ZINC000858580381 752863498 /nfs/dbraw/zinc/86/34/98/752863498.db2.gz ZCDRWAXVIUNTAT-JQWIXIFHSA-N 1 0 266.341 1.841 20 10 CDCDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000823609013 752886793 /nfs/dbraw/zinc/88/67/93/752886793.db2.gz NNBUPRQZGMMLNU-UHFFFAOYSA-N 1 0 273.384 1.962 20 10 CDCDRO CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877077695 752895541 /nfs/dbraw/zinc/89/55/41/752895541.db2.gz RFVFDJAIHUVQPV-LSDHHAIUSA-N 1 0 273.380 1.867 20 10 CDCDRO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc(N)cc1 ZINC000876504667 752897755 /nfs/dbraw/zinc/89/77/55/752897755.db2.gz SNEWQSQMGYIFTE-UHFFFAOYSA-N 1 0 277.368 1.566 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCN1C ZINC000090720546 752914678 /nfs/dbraw/zinc/91/46/78/752914678.db2.gz LLOXYNQZLBDAQZ-PWSUYJOCSA-N 1 0 278.352 1.693 20 10 CDCDRO Cc1cccc(O)c1CN(C)Cc1nnc2n1CCC2 ZINC000876558688 752936810 /nfs/dbraw/zinc/93/68/10/752936810.db2.gz VJSNNOTXIZDLKT-UHFFFAOYSA-N 1 0 272.352 1.870 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000862542389 752948129 /nfs/dbraw/zinc/94/81/29/752948129.db2.gz NQGTYGVNLWWZGO-MRVPVSSYSA-N 1 0 256.277 1.029 20 10 CDCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCNC(=O)C3)ccc21 ZINC000876986350 753002454 /nfs/dbraw/zinc/00/24/54/753002454.db2.gz BOVACTDGIKRLRA-OAHLLOKOSA-N 1 0 287.407 1.827 20 10 CDCDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000389082722 753035448 /nfs/dbraw/zinc/03/54/48/753035448.db2.gz LRDJNFSZHBRBHG-AWEZNQCLSA-N 1 0 265.309 1.372 20 10 CDCDRO COc1ccc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)cc1C ZINC000874051369 753047797 /nfs/dbraw/zinc/04/77/97/753047797.db2.gz ZIQROMXKXDIDFL-UHFFFAOYSA-N 1 0 292.379 1.642 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(F)ccc1O ZINC000848562493 753074523 /nfs/dbraw/zinc/07/45/23/753074523.db2.gz DTDFSVJMBHREPS-GXSJLCMTSA-N 1 0 290.342 1.868 20 10 CDCDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000036780768 753231362 /nfs/dbraw/zinc/23/13/62/753231362.db2.gz LWQFQCVIOACYJV-NSHDSACASA-N 1 0 250.342 1.877 20 10 CDCDRO O=CN1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000827878043 753276940 /nfs/dbraw/zinc/27/69/40/753276940.db2.gz YTHMABCBUQYUNT-UHFFFAOYSA-N 1 0 268.744 1.710 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000872140691 753299000 /nfs/dbraw/zinc/29/90/00/753299000.db2.gz VZQKEZGEVBFCSD-YUSALJHKSA-N 1 0 267.325 1.201 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2nccn2C)cc1 ZINC000843122234 753301532 /nfs/dbraw/zinc/30/15/32/753301532.db2.gz PMACNLTXCZMHER-INIZCTEOSA-N 1 0 299.422 1.633 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H](C)CN2CCOCC2)c(O)c1 ZINC000877057126 753303186 /nfs/dbraw/zinc/30/31/86/753303186.db2.gz VAGUXDOQHXSRND-AWEZNQCLSA-N 1 0 278.396 1.759 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(CO)(OC)CC2)c1O ZINC000848907649 753306039 /nfs/dbraw/zinc/30/60/39/753306039.db2.gz QWXPDQWBHVYLPV-UHFFFAOYSA-N 1 0 279.380 1.928 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000793229676 753311037 /nfs/dbraw/zinc/31/10/37/753311037.db2.gz BSEGDKCSHJQJRO-BLLLJJGKSA-N 1 0 293.363 1.781 20 10 CDCDRO COc1ccc(N2CCN(CC(C)(C)[NH3+])CC2)c(OC)c1 ZINC000873218904 753330071 /nfs/dbraw/zinc/33/00/71/753330071.db2.gz BKFIKDMGYIDYMF-UHFFFAOYSA-N 1 0 293.411 1.563 20 10 CDCDRO CCOc1ccc(C[NH2+]CCO[C@@H]2CCOC2)c(O)c1 ZINC000922939286 753428864 /nfs/dbraw/zinc/42/88/64/753428864.db2.gz NQBUHAOWTNOALC-CQSZACIVSA-N 1 0 281.352 1.686 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000779199751 753496988 /nfs/dbraw/zinc/49/69/88/753496988.db2.gz KVJLTWNMIZSBJH-CMPLNLGQSA-N 1 0 251.326 1.604 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000783524604 753500212 /nfs/dbraw/zinc/50/02/12/753500212.db2.gz HZXSMKDXOCBJSL-RAIGVLPGSA-N 1 0 262.353 1.958 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)CC2(F)F)cc1 ZINC000832267334 753528498 /nfs/dbraw/zinc/52/84/98/753528498.db2.gz QPFBSWQRKSSFMP-TZMCWYRMSA-N 1 0 297.349 1.914 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2ccnc(OC)n2)c1 ZINC000823870922 753636456 /nfs/dbraw/zinc/63/64/56/753636456.db2.gz AEWGHHDJVBZQKW-UHFFFAOYSA-N 1 0 275.308 1.489 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCOC2)cc1F ZINC000858152820 753727848 /nfs/dbraw/zinc/72/78/48/753727848.db2.gz ALQTYJLSAGVAED-SNVBAGLBSA-N 1 0 256.296 1.909 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000828667030 753747465 /nfs/dbraw/zinc/74/74/65/753747465.db2.gz LTWORGPLZSJPQC-YMTOWFKASA-N 1 0 282.315 1.280 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H](C)N(C)C)cc1OC ZINC000824988335 753767623 /nfs/dbraw/zinc/76/76/23/753767623.db2.gz JXOOXYYKVMCWEX-JTQLQIEISA-N 1 0 268.357 1.449 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000131795087 753769267 /nfs/dbraw/zinc/76/92/67/753769267.db2.gz WWPGFWVJUMODKJ-CYBMUJFWSA-N 1 0 299.392 1.458 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2(N(C)C)CC2)c(O)c1 ZINC000841890787 753811600 /nfs/dbraw/zinc/81/16/00/753811600.db2.gz FLLSGWNLGVIHHP-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(C)cccc1O ZINC000877119154 1165979027 /nfs/dbraw/zinc/97/90/27/1165979027.db2.gz BSHVCVTZCQJGGI-WCQYABFASA-N 1 0 262.353 1.705 20 10 CDCDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCc1ccccc1O ZINC000228423215 1166504330 /nfs/dbraw/zinc/50/43/30/1166504330.db2.gz MVGIHIBASWXJKC-GFCCVEGCSA-N 1 0 250.342 1.772 20 10 CDCDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000588489591 896643103 /nfs/dbraw/zinc/64/31/03/896643103.db2.gz WLTRUXLSIDAHOF-RXYHWBRQSA-N 1 0 290.407 1.940 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000690789874 898311871 /nfs/dbraw/zinc/31/18/71/898311871.db2.gz LHTXTAOMSYGJBF-STQMWFEESA-N 1 0 263.337 1.869 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000694596110 898572409 /nfs/dbraw/zinc/57/24/09/898572409.db2.gz KSYAERWTEIOPGK-LBPRGKRZSA-N 1 0 299.392 1.458 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCCCS(C)(=O)=O)c1 ZINC000692802205 900203473 /nfs/dbraw/zinc/20/34/73/900203473.db2.gz GQGYLJBJDKLCGY-UHFFFAOYSA-N 1 0 271.382 1.615 20 10 CDCDRO C[C@H]([NH3+])c1ccc(NCCc2cc(O)c(O)cc2O)cn1 ZINC001168016360 905685188 /nfs/dbraw/zinc/68/51/88/905685188.db2.gz LMZCIXDCZAESPC-VIFPVBQESA-N 1 0 289.335 1.873 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC001172159805 911392595 /nfs/dbraw/zinc/39/25/95/911392595.db2.gz DJQGMVOXOPAOOJ-GOEBONIOSA-N 1 0 287.407 1.996 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001172597982 911763467 /nfs/dbraw/zinc/76/34/67/911763467.db2.gz PZJYHUUZIDZEOG-ZYHUDNBSSA-N 1 0 279.336 1.919 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC001236817014 916595062 /nfs/dbraw/zinc/59/50/62/916595062.db2.gz BBHNSOAHCOWZKV-UHFFFAOYSA-N 1 0 264.325 1.031 20 10 CDCDRO O=C1NCCCC12CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204279120 916602721 /nfs/dbraw/zinc/60/27/21/916602721.db2.gz RGYLWELIDXQVKM-UHFFFAOYSA-N 1 0 290.363 1.590 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1Cl ZINC001206433135 916653463 /nfs/dbraw/zinc/65/34/63/916653463.db2.gz DFDZCVWRVPLGSF-NXEZZACHSA-N 1 0 288.750 1.925 20 10 CDCDRO C[C@@]1(CO)C[N@H+](Cc2c([O-])cccc2F)CC[C@H]1O ZINC001137832913 936417857 /nfs/dbraw/zinc/41/78/57/936417857.db2.gz MBEODSZJSGLMER-KGLIPLIRSA-N 1 0 269.316 1.097 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000829528057 936421319 /nfs/dbraw/zinc/42/13/19/936421319.db2.gz KAOHPPWJYGOKNK-GWCFXTLKSA-N 1 0 297.449 1.741 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1cc(OC)cc(OC)c1O ZINC001237677291 917541894 /nfs/dbraw/zinc/54/18/94/917541894.db2.gz ZHKJNDVDFMRKCH-UHFFFAOYSA-N 1 0 282.340 1.107 20 10 CDCDRO C[NH+](C)CCCCCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182155108 917693286 /nfs/dbraw/zinc/69/32/86/917693286.db2.gz CDLQPSSAHDMZED-UHFFFAOYSA-N 1 0 294.395 1.879 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000384999776 936623070 /nfs/dbraw/zinc/62/30/70/936623070.db2.gz IXSMPHHVMVOUGD-UFBFGSQYSA-N 1 0 267.300 1.689 20 10 CDCDRO O=C1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]2CCCN12 ZINC001140056155 936674478 /nfs/dbraw/zinc/67/44/78/936674478.db2.gz JYHBSYLONMVQBQ-ZDUSSCGKSA-N 1 0 278.327 1.728 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001140178645 936684278 /nfs/dbraw/zinc/68/42/78/936684278.db2.gz SBIRBYNKBYUATR-JSGCOSHPSA-N 1 0 265.353 1.184 20 10 CDCDRO OC[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC001140338178 936702795 /nfs/dbraw/zinc/70/27/95/936702795.db2.gz YORHPFPSUPXGNO-RNCFNFMXSA-N 1 0 271.744 1.221 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140468748 936713258 /nfs/dbraw/zinc/71/32/58/936713258.db2.gz WOFCTQMJVSVSQB-LBPRGKRZSA-N 1 0 299.754 1.810 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2CO)c1O ZINC001140741730 936748059 /nfs/dbraw/zinc/74/80/59/936748059.db2.gz BDZXKEPDYRIWCE-GFCCVEGCSA-N 1 0 251.326 1.753 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140747481 936749034 /nfs/dbraw/zinc/74/90/34/936749034.db2.gz BIFUCNLLPUJZJR-UHFFFAOYSA-N 1 0 253.298 1.401 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749457 936749807 /nfs/dbraw/zinc/74/98/07/936749807.db2.gz APBYALZGSUYXGS-LBPRGKRZSA-N 1 0 293.367 1.300 20 10 CDCDRO C[C@]1(O)COCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616932 944888060 /nfs/dbraw/zinc/88/80/60/944888060.db2.gz JZUOFGRQLDHKLV-CYBMUJFWSA-N 1 0 289.734 1.768 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(OC)c1 ZINC001141026195 936794072 /nfs/dbraw/zinc/79/40/72/936794072.db2.gz HSDIVGFUWBJFFK-PHIMTYICSA-N 1 0 279.336 1.488 20 10 CDCDRO CCO[C@@H]1C[N@H+](Cc2cc(O)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001141157864 936822504 /nfs/dbraw/zinc/82/25/04/936822504.db2.gz NXQCCHBKGKDLCR-BMFZPTHFSA-N 1 0 293.363 1.866 20 10 CDCDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(O)ccc3O)CC[N@@H+]2C1 ZINC001141160278 936822396 /nfs/dbraw/zinc/82/23/96/936822396.db2.gz TVRXOLCVYGEBBF-DZGCQCFKSA-N 1 0 292.379 1.393 20 10 CDCDRO COc1cc(C(=O)NCC[C@@H]2CCC[N@@H+]2C)cc(O)c1O ZINC001193113817 923458803 /nfs/dbraw/zinc/45/88/03/923458803.db2.gz DNIWGYQDRUXKJQ-NSHDSACASA-N 1 0 294.351 1.321 20 10 CDCDRO CC1CC[NH+](CC(=O)NCc2ccc(O)cc2O)CC1 ZINC000822421687 925620807 /nfs/dbraw/zinc/62/08/07/925620807.db2.gz ABFHMHXOFQGDDT-UHFFFAOYSA-N 1 0 278.352 1.446 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)[C@H]1OC ZINC000775978931 925737047 /nfs/dbraw/zinc/73/70/47/925737047.db2.gz PIBDSDALZOELRA-KCPJHIHWSA-N 1 0 281.352 1.683 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H]1OC ZINC000775979204 925737092 /nfs/dbraw/zinc/73/70/92/925737092.db2.gz RTYKAEIRLFOYFN-NUEKZKHPSA-N 1 0 277.364 1.904 20 10 CDCDRO Cc1ccc(O)c(CN2CC[NH2+]C[C@@H]2c2nccn2C)c1 ZINC000843121346 937114372 /nfs/dbraw/zinc/11/43/72/937114372.db2.gz FCYMLMNCTXECPT-CQSZACIVSA-N 1 0 286.379 1.581 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001168972425 927596512 /nfs/dbraw/zinc/59/65/12/927596512.db2.gz MWLHKULVJRZCRM-NEPJUHHUSA-N 1 0 280.324 1.675 20 10 CDCDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001168972431 927597246 /nfs/dbraw/zinc/59/72/46/927597246.db2.gz MWLHKULVJRZCRM-RYUDHWBXSA-N 1 0 280.324 1.675 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852870213 927900548 /nfs/dbraw/zinc/90/05/48/927900548.db2.gz BQQQJSIUTUIQMW-HUUCEWRRSA-N 1 0 291.395 1.041 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CC[S@](C)=O)cc1F ZINC000858138883 928811414 /nfs/dbraw/zinc/81/14/14/928811414.db2.gz CJSWLSOPKUNQNW-SFHVURJKSA-N 1 0 276.352 1.499 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc(N(C)C)cc1 ZINC000817982794 930657945 /nfs/dbraw/zinc/65/79/45/930657945.db2.gz HJRATNVXIHYXBH-DOMZBBRYSA-N 1 0 263.385 1.392 20 10 CDCDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941672 930739320 /nfs/dbraw/zinc/73/93/20/930739320.db2.gz NMPNCIBSNUNSLC-CJNGLKHVSA-N 1 0 296.411 1.255 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819095837 930757571 /nfs/dbraw/zinc/75/75/71/930757571.db2.gz 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/nfs/dbraw/zinc/59/91/48/937599148.db2.gz ZUVCAPYXLDHDGM-UONOGXRCSA-N 1 0 292.423 1.754 20 10 CDCDRO Cc1c(C[N@@H+]2CCOC[C@H](O)C2)c2ccccc2n1C ZINC001138252760 933263931 /nfs/dbraw/zinc/26/39/31/933263931.db2.gz SYBUSFDBYNESAJ-CYBMUJFWSA-N 1 0 274.364 1.680 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](CF)C1)[C@H](O)CO2 ZINC001119331214 937710515 /nfs/dbraw/zinc/71/05/15/937710515.db2.gz MZLPWJHZRJHWOZ-NOZJJQNGSA-N 1 0 267.300 1.609 20 10 CDCDRO COc1ccc(N2CC[NH+](CCCO)CC2)c(OC)c1 ZINC000074415327 933742558 /nfs/dbraw/zinc/74/25/58/933742558.db2.gz ONZBTNPYHOZXSB-UHFFFAOYSA-N 1 0 280.368 1.208 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1 ZINC001120262647 937790253 /nfs/dbraw/zinc/79/02/53/937790253.db2.gz BVOLDWWSVMHXMC-ZDUSSCGKSA-N 1 0 273.380 1.759 20 10 CDCDRO C[C@@H](CC1CC1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001258448617 934877299 /nfs/dbraw/zinc/87/72/99/934877299.db2.gz XBILMXRFYJDVDV-LKFCYVNXSA-N 1 0 251.326 1.909 20 10 CDCDRO COCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018375988 935665706 /nfs/dbraw/zinc/66/57/06/935665706.db2.gz CMYKSZGAICJXOP-AWEZNQCLSA-N 1 0 292.379 1.341 20 10 CDCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2F)[NH+](C)C)cc1 ZINC001121170461 937859779 /nfs/dbraw/zinc/85/97/79/937859779.db2.gz HIYSSAGVYFAYCK-ILXRZTDVSA-N 1 0 293.386 1.830 20 10 CDCDRO [NH3+][C@H]1Cc2ccccc2N(c2cc3c(cn2)C(=O)NCC3)C1 ZINC001162854805 939154642 /nfs/dbraw/zinc/15/46/42/939154642.db2.gz QXQHZSAYOUKMRJ-ZDUSSCGKSA-N 1 0 294.358 1.389 20 10 CDCDRO CC1(C)COc2ccc(N(CC[NH3+])CCO)cc21 ZINC001163835983 939339271 /nfs/dbraw/zinc/33/92/71/939339271.db2.gz LCVNCDFZFDPOKV-UHFFFAOYSA-N 1 0 250.342 1.114 20 10 CDCDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC001203563341 939693574 /nfs/dbraw/zinc/69/35/74/939693574.db2.gz ZCMXILUDGUTFSM-OAHLLOKOSA-N 1 0 278.396 1.935 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1O ZINC001203586125 939694787 /nfs/dbraw/zinc/69/47/87/939694787.db2.gz ZARPALLOTSFZGV-PWSUYJOCSA-N 1 0 251.326 1.604 20 10 CDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCC)c1O ZINC001203617632 939696400 /nfs/dbraw/zinc/69/64/00/939696400.db2.gz SDCXMBVNUWBKDY-ZDUSSCGKSA-N 1 0 292.379 1.891 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)CCCO1 ZINC001203634632 939699093 /nfs/dbraw/zinc/69/90/93/939699093.db2.gz OMKPKFHOYADJEE-AWEZNQCLSA-N 1 0 295.335 1.165 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1 ZINC001203670437 939700473 /nfs/dbraw/zinc/70/04/73/939700473.db2.gz QTJRYNYZZLFDLP-ZDUSSCGKSA-N 1 0 293.363 1.517 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@]1(C)O ZINC001203875206 939710441 /nfs/dbraw/zinc/71/04/41/939710441.db2.gz KFXPEYZXWLRUSX-YGRLFVJLSA-N 1 0 251.326 1.691 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203883598 939712068 /nfs/dbraw/zinc/71/20/68/939712068.db2.gz KRTWGJSFICQSLO-LBPRGKRZSA-N 1 0 279.336 1.873 20 10 CDCDRO COCCC[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC001203934321 939714401 /nfs/dbraw/zinc/71/44/01/939714401.db2.gz QMNRAKNCRRLREZ-UHFFFAOYSA-N 1 0 291.439 1.907 20 10 CDCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204278185 939751590 /nfs/dbraw/zinc/75/15/90/939751590.db2.gz WVSKABPQOIBCHK-RISCZKNCSA-N 1 0 262.353 1.624 20 10 CDCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001204281502 939752401 /nfs/dbraw/zinc/75/24/01/939752401.db2.gz SHKUKJZZPKUBAI-IMRBUKKESA-N 1 0 277.320 1.339 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204342176 939757064 /nfs/dbraw/zinc/75/70/64/939757064.db2.gz JKVKLZGXNXTSRN-SNVBAGLBSA-N 1 0 267.325 1.575 20 10 CDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204343983 939757307 /nfs/dbraw/zinc/75/73/07/939757307.db2.gz BSUSRWCDEVCJNP-NSHDSACASA-N 1 0 295.335 1.491 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)cc(O)c1O ZINC001204344634 939758362 /nfs/dbraw/zinc/75/83/62/939758362.db2.gz AEFHJXXFCYJGPS-MWLCHTKSSA-N 1 0 267.325 1.452 20 10 CDCDRO COc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc(O)c1O ZINC001204347368 939759508 /nfs/dbraw/zinc/75/95/08/939759508.db2.gz RKVPFNLKVMYTLK-OLZOCXBDSA-N 1 0 292.379 1.490 20 10 CDCDRO C[C@]1([NH3+])CCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001204792726 939791260 /nfs/dbraw/zinc/79/12/60/939791260.db2.gz ZLTKMKPYFFOXQU-LBPRGKRZSA-N 1 0 256.733 1.674 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2C[C@H]([NH3+])C[C@@H](O)C2)cc1 ZINC001204954065 939807857 /nfs/dbraw/zinc/80/78/57/939807857.db2.gz FEGPQRVNFNAOSR-SJLPKXTDSA-N 1 0 299.418 1.988 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@H]1C[NH3+] ZINC001205141195 939827626 /nfs/dbraw/zinc/82/76/26/939827626.db2.gz YGIXHDZJIUGPNN-GXTWGEPZSA-N 1 0 275.396 1.542 20 10 CDCDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001217987779 941033834 /nfs/dbraw/zinc/03/38/34/941033834.db2.gz BJKLKZLQBXNVMI-OTYXRUKQSA-N 1 0 289.335 1.808 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001220167080 941419609 /nfs/dbraw/zinc/41/96/09/941419609.db2.gz KFGJFHUVSZLABZ-NVXWUHKLSA-N 1 0 287.407 1.850 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC001220503578 941451114 /nfs/dbraw/zinc/45/11/14/941451114.db2.gz FFMRBNJVYDWLKJ-OAHLLOKOSA-N 1 0 269.348 1.628 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C)c1O ZINC001277519232 942891255 /nfs/dbraw/zinc/89/12/55/942891255.db2.gz PCICAAZGLNOVIB-OKILXGFUSA-N 1 0 280.343 1.355 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001231591298 942939220 /nfs/dbraw/zinc/93/92/20/942939220.db2.gz ZXNSXVWWPJWBCC-UKRRQHHQSA-N 1 0 265.353 1.266 20 10 CDCDRO COc1cc(C[N@H+](C)CC2CCOCC2)c(O)cc1O ZINC001231633894 942948926 /nfs/dbraw/zinc/94/89/26/942948926.db2.gz CINVVGRVQADXCS-UHFFFAOYSA-N 1 0 281.352 1.965 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)c(Cl)c1 ZINC001277551004 942976202 /nfs/dbraw/zinc/97/62/02/942976202.db2.gz IHKGMOOOQQPYDX-UHFFFAOYSA-N 1 0 293.798 1.904 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)N(C)C)C2)c(O)c1 ZINC001277569039 943020015 /nfs/dbraw/zinc/02/00/15/943020015.db2.gz SSZLTOMTRVJUFJ-ZDUSSCGKSA-N 1 0 274.364 1.611 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC001231879229 943038861 /nfs/dbraw/zinc/03/88/61/943038861.db2.gz ATPFBSZJXPRHOR-ZFWWWQNUSA-N 1 0 273.332 1.330 20 10 CDCDRO OC[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232259016 943193140 /nfs/dbraw/zinc/19/31/40/943193140.db2.gz HEFGXGNSOTZRIV-SECBINFHSA-N 1 0 257.717 1.708 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232263125 943194466 /nfs/dbraw/zinc/19/44/66/943194466.db2.gz HQKGQMXIIZDTKV-UHFFFAOYSA-N 1 0 273.716 1.746 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](NC(C)=O)C2)cc1Cl ZINC001232267661 943196633 /nfs/dbraw/zinc/19/66/33/943196633.db2.gz DLWPHNSAQVTKCJ-NSHDSACASA-N 1 0 298.770 1.765 20 10 CDCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232268809 943197185 /nfs/dbraw/zinc/19/71/85/943197185.db2.gz SKZYBWVNEHYSNS-NSHDSACASA-N 1 0 298.770 1.852 20 10 CDCDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233010195 943460474 /nfs/dbraw/zinc/46/04/74/943460474.db2.gz NCZPIIJTHDVBON-NSHDSACASA-N 1 0 267.325 1.804 20 10 CDCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)CC1(C)COC1 ZINC001233014038 943463294 /nfs/dbraw/zinc/46/32/94/943463294.db2.gz XEKGZFBNLFTVJC-UHFFFAOYSA-N 1 0 253.298 1.272 20 10 CDCDRO C[N@H+](CCC1OCCO1)Cc1c([O-])ccc(F)c1F ZINC001233335395 943548123 /nfs/dbraw/zinc/54/81/23/943548123.db2.gz SUYGZLDTLWSLCV-UHFFFAOYSA-N 1 0 273.279 1.865 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@]1(C)O ZINC001233483361 943592728 /nfs/dbraw/zinc/59/27/28/943592728.db2.gz XEEANFSOJBWKJE-BMIGLBTASA-N 1 0 281.352 1.786 20 10 CDCDRO Cc1cc(C)c(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234986208 943995653 /nfs/dbraw/zinc/99/56/53/943995653.db2.gz CAZHTNSHMYSUAS-MRXNPFEDSA-N 1 0 275.396 1.146 20 10 CDCDRO CCOc1cccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235073733 944042788 /nfs/dbraw/zinc/04/27/88/944042788.db2.gz VKFUVCKTRHHQQK-CHWSQXEVSA-N 1 0 262.353 1.727 20 10 CDCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1O ZINC001235455302 944161678 /nfs/dbraw/zinc/16/16/78/944161678.db2.gz BOQKYDWVSCRAFQ-ZDUSSCGKSA-N 1 0 252.333 1.961 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001236783065 944567155 /nfs/dbraw/zinc/56/71/55/944567155.db2.gz HQJMLHYDSGECDL-HZPDHXFCSA-N 1 0 279.380 1.520 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001237485434 944810499 /nfs/dbraw/zinc/81/04/99/944810499.db2.gz IOFCNZROSWWYJX-INIZCTEOSA-N 1 0 274.364 1.803 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237496141 944818091 /nfs/dbraw/zinc/81/80/91/944818091.db2.gz WLQOLFGFFFCDBM-LBPRGKRZSA-N 1 0 279.336 1.465 20 10 CDCDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)c(OC)c1 ZINC001237675990 944919604 /nfs/dbraw/zinc/91/96/04/944919604.db2.gz IUSDYZMKEPXHID-CYBMUJFWSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c(OC)c1 ZINC001237680239 944924120 /nfs/dbraw/zinc/92/41/20/944924120.db2.gz IJJOFRGJFQWBGP-BETUJISGSA-N 1 0 292.379 1.688 20 10 CDCDRO Cc1cc(F)cc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC001238057762 945042641 /nfs/dbraw/zinc/04/26/41/945042641.db2.gz MNSIVPKFSXVQTI-ZDUSSCGKSA-N 1 0 252.333 1.976 20 10 CDCDRO Cc1cc(F)cc(CN2CCOC[C@@H]2C[NH+](C)C)c1O ZINC001238069748 945052812 /nfs/dbraw/zinc/05/28/12/945052812.db2.gz KDRWOSLIKGVKOV-AWEZNQCLSA-N 1 0 282.359 1.602 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001262361528 946608872 /nfs/dbraw/zinc/60/88/72/946608872.db2.gz PUJRLYBVROBTGE-OAHLLOKOSA-N 1 0 299.367 1.287 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N)cc2)C1 ZINC001262577382 946729900 /nfs/dbraw/zinc/72/99/00/946729900.db2.gz OXRNLLGBYMOCAV-CABCVRRESA-N 1 0 290.411 1.941 20 10 CDCDRO C[C@H]1C[C@@H](NCC(=O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246290462 948082317 /nfs/dbraw/zinc/08/23/17/948082317.db2.gz MEEPGEWXCAIBGQ-ONGXEEELSA-N 1 0 264.325 1.011 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001256020892 948162583 /nfs/dbraw/zinc/16/25/83/948162583.db2.gz RKPJQGRMCIKROA-LLVKDONJSA-N 1 0 280.324 1.418 20 10 CDCDRO C[C@H](Cc1ccncc1)[NH2+]CCc1cc(O)c(O)cc1O ZINC001256721110 948406468 /nfs/dbraw/zinc/40/64/68/948406468.db2.gz IYWYFLJNLISSSU-LLVKDONJSA-N 1 0 288.347 1.962 20 10 CDCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246861427 948487204 /nfs/dbraw/zinc/48/72/04/948487204.db2.gz JRECCTYUBQCKRN-KGLIPLIRSA-N 1 0 292.379 1.508 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c(O)c1 ZINC001249215288 949457731 /nfs/dbraw/zinc/45/77/31/949457731.db2.gz ZLZWPUYTNYUYAA-CYBMUJFWSA-N 1 0 291.347 1.519 20 10 CDCDRO COc1cccc([C@H](O)C[NH2+]Cc2ccc(O)c(O)c2)c1 ZINC001250740061 950342108 /nfs/dbraw/zinc/34/21/08/950342108.db2.gz OXJIRLPRONKUNE-MRXNPFEDSA-N 1 0 289.331 1.930 20 10 CDCDRO CC[NH+](CC)C[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC001253205256 951802059 /nfs/dbraw/zinc/80/20/59/951802059.db2.gz BAVSPPMCCYCMOD-OAHLLOKOSA-N 1 0 278.396 1.414 20 10 CDCDRO CC(C)(C)OC[C@H](O)C[NH2+]CCc1cc(O)c(O)cc1O ZINC001253472074 951923273 /nfs/dbraw/zinc/92/32/73/951923273.db2.gz PLATTXCTMOOEGA-LLVKDONJSA-N 1 0 299.367 1.112 20 10 CDCDRO [NH3+]Cc1nccnc1NCCc1ccc(O)c(O)c1 ZINC001306987846 954098383 /nfs/dbraw/zinc/09/83/83/954098383.db2.gz DPBYNCSJYUJVDW-UHFFFAOYSA-N 1 0 260.297 1.001 20 10 CDCDRO C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC001326473276 954397466 /nfs/dbraw/zinc/39/74/66/954397466.db2.gz IIUIGSHALRADPL-GHMZBOCLSA-N 1 0 280.368 1.685 20 10 CDCDRO CC[NH2+]CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327416474 954868915 /nfs/dbraw/zinc/86/89/15/954868915.db2.gz SVPBTTFDWUUEFV-UHFFFAOYSA-N 1 0 294.418 1.277 20 10 CDCDRO CCC[N@H+](C)CC(=O)NCc1cc(O)ccc1O ZINC001303223637 956067714 /nfs/dbraw/zinc/06/77/14/956067714.db2.gz YOURKKKXIDUTCE-UHFFFAOYSA-N 1 0 252.314 1.056 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(C(C)C)ccc1O ZINC001308699449 956564948 /nfs/dbraw/zinc/56/49/48/956564948.db2.gz PYQAYLMQQYXKES-UONOGXRCSA-N 1 0 293.363 1.624 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2O)C1 ZINC001308877950 956593104 /nfs/dbraw/zinc/59/31/04/956593104.db2.gz FEQVFXMHGKVYAX-GFCCVEGCSA-N 1 0 268.744 1.756 20 10 CDCDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(Cl)cc2O)CCOC1 ZINC001308987124 956611773 /nfs/dbraw/zinc/61/17/73/956611773.db2.gz QRCYNMSPAKEJDY-CQSZACIVSA-N 1 0 299.754 1.715 20 10 CDCDRO C[C@H](NCc1nnc2n1CCOC2)c1c(O)cccc1F ZINC001331229585 956901857 /nfs/dbraw/zinc/90/18/57/956901857.db2.gz LTYVEKWSMJYGAB-VIFPVBQESA-N 1 0 292.314 1.504 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC001331528494 957118947 /nfs/dbraw/zinc/11/89/47/957118947.db2.gz HFSRSBKYBPGHHL-AWEZNQCLSA-N 1 0 251.326 1.666 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c(O)c1O ZINC001319952943 958808456 /nfs/dbraw/zinc/80/84/56/958808456.db2.gz WBXFCRAQDPOWHP-GFCCVEGCSA-N 1 0 278.352 1.476 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(O)c1O ZINC001319952944 958808485 /nfs/dbraw/zinc/80/84/85/958808485.db2.gz WBXFCRAQDPOWHP-LBPRGKRZSA-N 1 0 278.352 1.476 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC2([NH3+])CC2)c1 ZINC001336972695 960796227 /nfs/dbraw/zinc/79/62/27/960796227.db2.gz DMRPXKJFCKTROR-VIFPVBQESA-N 1 0 279.340 1.252 20 10 CDCDRO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001337838205 961460263 /nfs/dbraw/zinc/46/02/63/961460263.db2.gz KHWVPGDQKHTREI-UHFFFAOYSA-N 1 0 291.395 1.338 20 10 CDCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(OCC(N)=O)CC2)c1 ZINC001341113408 963281486 /nfs/dbraw/zinc/28/14/86/963281486.db2.gz UWRHFMQGRHVJIL-UHFFFAOYSA-N 1 0 292.379 1.475 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848398749 969067237 /nfs/dbraw/zinc/06/72/37/969067237.db2.gz WKZPDFPHFAVMLO-CJNGLKHVSA-N 1 0 274.364 1.740 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC3(C[NH2+]C3)CC2)cc1 ZINC001521900750 970374341 /nfs/dbraw/zinc/37/43/41/970374341.db2.gz SNOYFXVSTFTVQI-UHFFFAOYSA-N 1 0 259.353 1.023 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC001576104860 1171333300 /nfs/dbraw/zinc/33/33/00/1171333300.db2.gz KESDUYQDNAECDH-YUMQZZPRSA-N 1 0 271.748 1.581 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(C)ccc1O ZINC000295041393 199315663 /nfs/dbraw/zinc/31/56/63/199315663.db2.gz MQMPANMLAXTFBL-LBPRGKRZSA-N 1 0 286.397 1.118 20 10 CDCDRO C[NH+]1CCN(CCCSc2nccs2)CC1 ZINC000181319296 357335165 /nfs/dbraw/zinc/33/51/65/357335165.db2.gz FOWBTDKVZZTJEI-UHFFFAOYSA-N 1 0 257.428 1.873 20 10 CDCDRO COc1cc(Cl)cc(CN2CCOCC2)c1O ZINC000184669790 357492512 /nfs/dbraw/zinc/49/25/12/357492512.db2.gz NPYZQMFEJUHBRX-UHFFFAOYSA-N 1 0 257.717 1.886 20 10 CDCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000185815318 357579860 /nfs/dbraw/zinc/57/98/60/357579860.db2.gz FJIIKDDFXREEOC-PCAWENJQSA-N 1 0 251.326 1.818 20 10 CDCDRO CC1CC[NH+](CCCNC(=O)c2cccc(O)c2O)CC1 ZINC000186795400 357692415 /nfs/dbraw/zinc/69/24/15/357692415.db2.gz WVVZZLXVGDPJQP-UHFFFAOYSA-N 1 0 292.379 1.950 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)CN1Cc1cccc(Cl)c1[O-] ZINC000187567774 357780474 /nfs/dbraw/zinc/78/04/74/357780474.db2.gz UREQYHPJCYFKLL-MWLCHTKSSA-N 1 0 285.727 1.154 20 10 CDCDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(O)c1O ZINC000193131563 358267827 /nfs/dbraw/zinc/26/78/27/358267827.db2.gz OOJYGPSODXMTDA-LLVKDONJSA-N 1 0 296.367 1.184 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CC(C)(C)CO)cc1OC ZINC000294768279 199173861 /nfs/dbraw/zinc/17/38/61/199173861.db2.gz JYTICYQMRPPSFV-UHFFFAOYSA-N 1 0 283.368 1.860 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1O ZINC000193693948 358316487 /nfs/dbraw/zinc/31/64/87/358316487.db2.gz IVGFXLPJLQSBPU-ZWNOBZJWSA-N 1 0 278.352 1.405 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)COC2)c(O)c1 ZINC000294832135 199203404 /nfs/dbraw/zinc/20/34/04/199203404.db2.gz RDNVMIJHDGIYMT-LBPRGKRZSA-N 1 0 265.353 1.669 20 10 CDCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccccc1O ZINC000091619353 358520391 /nfs/dbraw/zinc/52/03/91/358520391.db2.gz LRBACASTEUWWHF-CYBMUJFWSA-N 1 0 264.369 1.545 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@]1(O)CCSC1)CC2 ZINC000297744362 200274149 /nfs/dbraw/zinc/27/41/49/200274149.db2.gz OCYMIBHSDSEVEN-BXUZGUMPSA-N 1 0 265.378 1.837 20 10 CDCDRO COCCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000123018719 360252078 /nfs/dbraw/zinc/25/20/78/360252078.db2.gz QCCANDIUNOPBRB-UHFFFAOYSA-N 1 0 264.369 1.465 20 10 CDCDRO COC1(C[NH2+]Cc2ccccc2O)CCOCC1 ZINC000123183329 360266557 /nfs/dbraw/zinc/26/65/57/360266557.db2.gz DDQDEFLLLRQDNY-UHFFFAOYSA-N 1 0 251.326 1.677 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000234889737 360968841 /nfs/dbraw/zinc/96/88/41/360968841.db2.gz SBQGNBPUBUKLFP-VHSXEESVSA-N 1 0 255.314 1.059 20 10 CDCDRO COC(=O)C[C@H]1CN(Cc2cccc(OC)c2O)CCO1 ZINC000271157652 364949748 /nfs/dbraw/zinc/94/97/48/364949748.db2.gz BUNHZIDHNPJYGJ-LBPRGKRZSA-N 1 0 295.335 1.165 20 10 CDCDRO COc1cc(O)c(C[N@H+](CCO)C(C)C)cc1OC ZINC000271779529 364998109 /nfs/dbraw/zinc/99/81/09/364998109.db2.gz GORCHLACHADVBW-UHFFFAOYSA-N 1 0 269.341 1.612 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCNC(C)=O)c1 ZINC000182463673 365126646 /nfs/dbraw/zinc/12/66/46/365126646.db2.gz WJZVEYWCCZVBDI-SNVBAGLBSA-N 1 0 266.341 1.578 20 10 CDCDRO C[NH+](C)C(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272471147 365252757 /nfs/dbraw/zinc/25/27/57/365252757.db2.gz PRSUCGJHIDYHEI-SOFGYWHQSA-N 1 0 278.352 1.567 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000272559712 365293297 /nfs/dbraw/zinc/29/32/97/365293297.db2.gz SXBRBXPLXZECGC-WDEREUQCSA-N 1 0 251.326 1.604 20 10 CDCDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000273709815 365518095 /nfs/dbraw/zinc/51/80/95/365518095.db2.gz FVUSIWOBRGBMLZ-CYBMUJFWSA-N 1 0 275.352 1.428 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c(O)c1 ZINC000273490426 365500406 /nfs/dbraw/zinc/50/04/06/365500406.db2.gz OCMBNWPAKVOWNH-FZMZJTMJSA-N 1 0 275.352 1.818 20 10 CDCDRO CO[C@H](C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000263791895 370861580 /nfs/dbraw/zinc/86/15/80/370861580.db2.gz HTXNVTZOIFDXFM-SECBINFHSA-N 1 0 253.298 1.636 20 10 CDCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)C(=O)NCCF ZINC000282734153 368013211 /nfs/dbraw/zinc/01/32/11/368013211.db2.gz RDIZHVAIYZETTK-MRVPVSSYSA-N 1 0 274.723 1.609 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@H]2COCCN2)ccc1OC ZINC000530181245 368147317 /nfs/dbraw/zinc/14/73/17/368147317.db2.gz KGOIPGRRHSTPLL-HNNXBMFYSA-N 1 0 294.395 1.310 20 10 CDCDRO Cc1cccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1O ZINC000362048114 369085500 /nfs/dbraw/zinc/08/55/00/369085500.db2.gz VLTYXBHZVDDIRU-JKSUJKDBSA-N 1 0 290.407 1.732 20 10 CDCDRO Oc1cc2c(cc1CN1CCC[N@@H+]3CCC[C@H]3C1)OCO2 ZINC000252972108 370213902 /nfs/dbraw/zinc/21/39/02/370213902.db2.gz YWVOUIVRMUPHAE-ZDUSSCGKSA-N 1 0 290.363 1.791 20 10 CDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000296000966 371556367 /nfs/dbraw/zinc/55/63/67/371556367.db2.gz KWJCZCHSXOMZFW-UHFFFAOYSA-N 1 0 289.379 1.021 20 10 CDCDRO NC(=O)CC1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000297379533 371986017 /nfs/dbraw/zinc/98/60/17/371986017.db2.gz JICQYYSLKATCHK-UHFFFAOYSA-N 1 0 299.168 1.462 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000163297645 377531619 /nfs/dbraw/zinc/53/16/19/377531619.db2.gz YCCPZARVMXMIJQ-WDEREUQCSA-N 1 0 251.326 1.915 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000118963590 390837624 /nfs/dbraw/zinc/83/76/24/390837624.db2.gz PEVYFVMLIAIDRZ-SNVBAGLBSA-N 1 0 292.335 1.079 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)C2CC2)c(O)c1 ZINC000168734892 390937503 /nfs/dbraw/zinc/93/75/03/390937503.db2.gz MZHSYOSABAENQF-NSHDSACASA-N 1 0 262.353 1.877 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000093809203 390904418 /nfs/dbraw/zinc/90/44/18/390904418.db2.gz AHUAIMOBUWIAJV-GFCCVEGCSA-N 1 0 292.379 1.878 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179568207 391211612 /nfs/dbraw/zinc/21/16/12/391211612.db2.gz TZNUMQBKBRQYPD-CYBMUJFWSA-N 1 0 263.337 1.977 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)CCCO)c1O ZINC000271191745 391290943 /nfs/dbraw/zinc/29/09/43/391290943.db2.gz MBVWIWRKEWVWLB-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000193693961 391344087 /nfs/dbraw/zinc/34/40/87/391344087.db2.gz IVGFXLPJLQSBPU-MFKMUULPSA-N 1 0 278.352 1.405 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1cc(OC)ccc1O)OC ZINC000227717495 392046352 /nfs/dbraw/zinc/04/63/52/392046352.db2.gz MGSVMPQVCOZYGC-GFCCVEGCSA-N 1 0 255.314 1.152 20 10 CDCDRO C[S@](=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296573569 392441328 /nfs/dbraw/zinc/44/13/28/392441328.db2.gz VHCWIHLQSHVPQJ-ZMZPIMSZSA-N 1 0 265.378 1.880 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCCCO)c1O ZINC000193274685 398075298 /nfs/dbraw/zinc/07/52/98/398075298.db2.gz HWBQVHSJQICPHU-UHFFFAOYSA-N 1 0 259.733 1.916 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000038083083 174092962 /nfs/dbraw/zinc/09/29/62/174092962.db2.gz WBJCQHBRPRVNAX-NEPJUHHUSA-N 1 0 283.393 1.786 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000184686174 262026247 /nfs/dbraw/zinc/02/62/47/262026247.db2.gz AJCNKEHFFQXLAJ-SECBINFHSA-N 1 0 271.744 1.868 20 10 CDCDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000186137683 262081056 /nfs/dbraw/zinc/08/10/56/262081056.db2.gz NGSVGDLZNGZKMC-SNVBAGLBSA-N 1 0 264.325 1.802 20 10 CDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000192124447 277600413 /nfs/dbraw/zinc/60/04/13/277600413.db2.gz DFQBCRJBBXOKLG-WDEREUQCSA-N 1 0 277.368 1.461 20 10 CDCDRO C[C@]1(CO)C[N@@H+](Cc2ccccc2O)C[C@@]1(C)CO ZINC000529669610 281352421 /nfs/dbraw/zinc/35/24/21/281352421.db2.gz ZQXAAYPNKYGLCV-GASCZTMLSA-N 1 0 265.353 1.205 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268870746 328075162 /nfs/dbraw/zinc/07/51/62/328075162.db2.gz UIZHOOZHMLLITG-YPMHNXCESA-N 1 0 261.369 1.634 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000271811172 328197705 /nfs/dbraw/zinc/19/77/05/328197705.db2.gz KUBNBDIFRWDNJB-GHMZBOCLSA-N 1 0 281.352 1.924 20 10 CDCDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(F)ccc1O ZINC000280900050 328236847 /nfs/dbraw/zinc/23/68/47/328236847.db2.gz PROYVQQRHZGBOH-SDDRHHMPSA-N 1 0 283.343 1.827 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1cccc(C)c1O ZINC000291314725 328263128 /nfs/dbraw/zinc/26/31/28/328263128.db2.gz RYXQFFWBGUTFJG-AWEZNQCLSA-N 1 0 265.353 1.938 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1cc2c(cc1O)CCCC2 ZINC000530221014 333528661 /nfs/dbraw/zinc/52/86/61/333528661.db2.gz BUPCVIMVZIYDAK-DOMZBBRYSA-N 1 0 290.407 1.910 20 10 CDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COCCN2)c1O ZINC000530222893 333528908 /nfs/dbraw/zinc/52/89/08/333528908.db2.gz IFRSVMLDUNUISP-PWSUYJOCSA-N 1 0 284.787 1.993 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C(C)(C)C[NH3+])ccc21 ZINC000237092992 1159997024 /nfs/dbraw/zinc/99/70/24/1159997024.db2.gz SLWJCICJIGUFJL-UHFFFAOYSA-N 1 0 275.396 1.670 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(O)c1O ZINC000271324427 482834908 /nfs/dbraw/zinc/83/49/08/482834908.db2.gz YBUXKGJDRPLKHW-QWHCGFSZSA-N 1 0 290.363 1.763 20 10 CDCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001169497672 1162010085 /nfs/dbraw/zinc/01/00/85/1162010085.db2.gz ZVRVEOIETQMNPF-INIZCTEOSA-N 1 0 287.407 1.997 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)COC)cc1 ZINC000281000296 520289800 /nfs/dbraw/zinc/28/98/00/520289800.db2.gz NODALVIACUYEJO-GXTWGEPZSA-N 1 0 266.385 1.801 20 10 CDCDRO CCCOc1ccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c(O)c1 ZINC000271395375 520352350 /nfs/dbraw/zinc/35/23/50/520352350.db2.gz USGXIQQEMQVBPJ-LBPRGKRZSA-N 1 0 293.367 1.424 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000278750619 521152281 /nfs/dbraw/zinc/15/22/81/521152281.db2.gz WGEZSXWWKBRLRT-IAQYHMDHSA-N 1 0 281.352 1.420 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(C(=O)NC)C2)c1O ZINC000228099437 521345960 /nfs/dbraw/zinc/34/59/60/521345960.db2.gz GCXZCRCQGYOWSS-INIZCTEOSA-N 1 0 292.379 1.749 20 10 CDCDRO CCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278274836 521667617 /nfs/dbraw/zinc/66/76/17/521667617.db2.gz SFBVBMYXRODTAY-UHFFFAOYSA-N 1 0 284.312 1.513 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@H]1CCCO1 ZINC000278699474 522361719 /nfs/dbraw/zinc/36/17/19/522361719.db2.gz QQRUZCDWOGJOGQ-UKRRQHHQSA-N 1 0 265.353 1.984 20 10 CDCDRO CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000274812076 522946314 /nfs/dbraw/zinc/94/63/14/522946314.db2.gz YBACIZUZYCQUQB-ZIAGYGMSSA-N 1 0 275.352 1.900 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@]3(F)CC[NH2+]C3)ccc21 ZINC000366329764 523862194 /nfs/dbraw/zinc/86/21/94/523862194.db2.gz PJOYCUOBPMJQNT-INIZCTEOSA-N 1 0 291.370 1.387 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000234832231 523997671 /nfs/dbraw/zinc/99/76/71/523997671.db2.gz SRPKIEACFKHTMZ-JTQLQIEISA-N 1 0 251.282 1.342 20 10 CDCDRO COc1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1C ZINC000278541128 524088323 /nfs/dbraw/zinc/08/83/23/524088323.db2.gz XJWUVEHYEDTPTJ-HNNXBMFYSA-N 1 0 265.353 1.635 20 10 CDCDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290181931 524749758 /nfs/dbraw/zinc/74/97/58/524749758.db2.gz NVYDONITMMQPHF-GZMMTYOYSA-N 1 0 273.329 1.054 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c1 ZINC000068800737 524762708 /nfs/dbraw/zinc/76/27/08/524762708.db2.gz VMARKXLLIVRCGL-CHWSQXEVSA-N 1 0 293.411 1.297 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000274915919 524892941 /nfs/dbraw/zinc/89/29/41/524892941.db2.gz JZSNTHGDRKXIFY-CMPLNLGQSA-N 1 0 278.352 1.239 20 10 CDCDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccccc1O)CCO2 ZINC000279748060 525057780 /nfs/dbraw/zinc/05/77/80/525057780.db2.gz YEWJWVWWIXNRNO-DOMZBBRYSA-N 1 0 263.337 1.772 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1 ZINC000227965270 525349867 /nfs/dbraw/zinc/34/98/67/525349867.db2.gz JYZSUHVGTPFEIC-RISCZKNCSA-N 1 0 251.326 1.330 20 10 CDCDRO COc1cccc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000130101744 525933665 /nfs/dbraw/zinc/93/36/65/525933665.db2.gz XXCIHTBOORYGLN-UHFFFAOYSA-N 1 0 293.363 1.986 20 10 CDCDRO COc1cccc(C[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000280521699 526012946 /nfs/dbraw/zinc/01/29/46/526012946.db2.gz BBZCCXAYUGLUKE-LJQANCHMSA-N 1 0 283.393 1.792 20 10 CDCDRO OC[C@H](CC1CCC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000279615542 527604921 /nfs/dbraw/zinc/60/49/21/527604921.db2.gz AHUJNLVZAQDWDA-LBPRGKRZSA-N 1 0 279.336 1.762 20 10 CDCDRO OC[C@H](C[NH2+]Cc1ccccc1O)[C@@H]1CCOC1 ZINC000280365648 527607030 /nfs/dbraw/zinc/60/70/30/527607030.db2.gz UHGUOKXJYIKVFY-OLZOCXBDSA-N 1 0 251.326 1.127 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000730818589 575013021 /nfs/dbraw/zinc/01/30/21/575013021.db2.gz ZKGDEKGYYNXNPL-LBPRGKRZSA-N 1 0 280.368 1.211 20 10 CDCDRO CC[C@H](C)[N@H+](C)CCNC(=O)C1=CC(=O)CS1 ZINC000732284381 575086837 /nfs/dbraw/zinc/08/68/37/575086837.db2.gz RQYWWMRYFQVQTO-VIFPVBQESA-N 1 0 256.371 1.914 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@](C)(O)COC)c(O)c1 ZINC000732672460 575093592 /nfs/dbraw/zinc/09/35/92/575093592.db2.gz JJTBIMPAGGNLDE-AWEZNQCLSA-N 1 0 269.341 1.278 20 10 CDCDRO CNC(=O)C1([NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000734000030 575151088 /nfs/dbraw/zinc/15/10/88/575151088.db2.gz OKEBRFPSIZDSKW-UHFFFAOYSA-N 1 0 274.364 1.770 20 10 CDCDRO CCOc1ccc(C[NH2+]C2(CO)CCC2)c(O)c1 ZINC000767929270 576239738 /nfs/dbraw/zinc/23/97/38/576239738.db2.gz MNEFYKZOFRTDSN-UHFFFAOYSA-N 1 0 251.326 1.796 20 10 CDCDRO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000774482021 575208050 /nfs/dbraw/zinc/20/80/50/575208050.db2.gz DJSPVQNEWMPDKU-MNOVXSKESA-N 1 0 292.383 1.247 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000773730405 575836387 /nfs/dbraw/zinc/83/63/87/575836387.db2.gz GROFZFFEDWHKHY-HNNXBMFYSA-N 1 0 275.396 1.983 20 10 CDCDRO CCC[N@H+](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773750104 575837600 /nfs/dbraw/zinc/83/76/00/575837600.db2.gz UFKNHSMAXMBRMJ-LLVKDONJSA-N 1 0 280.368 1.487 20 10 CDCDRO COC(=O)C[C@@]1([NH2+]Cc2cc(C)c(C)cc2O)CCOC1 ZINC000766470299 576105052 /nfs/dbraw/zinc/10/50/52/576105052.db2.gz SYTHLDLZWPMTCW-INIZCTEOSA-N 1 0 293.363 1.821 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c(O)c1 ZINC000768442402 576283103 /nfs/dbraw/zinc/28/31/03/576283103.db2.gz UTFQFXNGTOAOKH-UHFFFAOYSA-N 1 0 292.379 1.878 20 10 CDCDRO CO[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768453623 576285663 /nfs/dbraw/zinc/28/56/63/576285663.db2.gz ZYZZBCKGXMANEI-SMDDNHRTSA-N 1 0 279.336 1.429 20 10 CDCDRO OCc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000742368532 576598007 /nfs/dbraw/zinc/59/80/07/576598007.db2.gz IUKHIRKOFXFZJC-UHFFFAOYSA-N 1 0 259.305 1.997 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1O ZINC000762786899 576671685 /nfs/dbraw/zinc/67/16/85/576671685.db2.gz LOTUVXLAHPINMI-QMTHXVAHSA-N 1 0 284.787 1.763 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)c(O)c1 ZINC000763479367 576738604 /nfs/dbraw/zinc/73/86/04/576738604.db2.gz HZOUKAWWQUHROU-HNNXBMFYSA-N 1 0 281.352 1.686 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@]2(OC)CCOC2)c(O)c1 ZINC000763479372 576738677 /nfs/dbraw/zinc/73/86/77/576738677.db2.gz HZOUKAWWQUHROU-OAHLLOKOSA-N 1 0 281.352 1.686 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC(F)F)cc1F ZINC000758612587 577121912 /nfs/dbraw/zinc/12/19/12/577121912.db2.gz GHQKQHYECZHCRW-JTQLQIEISA-N 1 0 276.302 1.997 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C(=O)N(C)C ZINC000840936235 617608826 /nfs/dbraw/zinc/60/88/26/617608826.db2.gz HEPQKLBFPZXKQL-GFCCVEGCSA-N 1 0 263.385 1.627 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccccc1O ZINC000892019502 617413603 /nfs/dbraw/zinc/41/36/03/617413603.db2.gz QIZHYHFZVUSPAT-PWSUYJOCSA-N 1 0 265.357 1.736 20 10 CDCDRO C[C@H](NC(=O)NCC1([NH3+])CCC1)c1ccccc1O ZINC000892053360 617446201 /nfs/dbraw/zinc/44/62/01/617446201.db2.gz KNFWBCBQHPNNOW-JTQLQIEISA-N 1 0 263.341 1.634 20 10 CDCDRO C[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccccc1O ZINC000892066018 617457457 /nfs/dbraw/zinc/45/74/57/617457457.db2.gz BNHUANPHXBJKJD-LLVKDONJSA-N 1 0 275.352 1.672 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000892156614 617512550 /nfs/dbraw/zinc/51/25/50/617512550.db2.gz PHEYQSYCEQLLSW-CABZTGNLSA-N 1 0 299.321 1.750 20 10 CDCDRO O=C(NCCC[C@H]1CCC[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000892159780 617514196 /nfs/dbraw/zinc/51/41/96/617514196.db2.gz SUXQDZDGAOLLRH-CYBMUJFWSA-N 1 0 289.379 1.950 20 10 CDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCOC1 ZINC000840964299 617850833 /nfs/dbraw/zinc/85/08/33/617850833.db2.gz YXGHSNGCLIWNBP-HUUCEWRRSA-N 1 0 277.364 1.499 20 10 CDCDRO COCC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892784872 617746762 /nfs/dbraw/zinc/74/67/62/617746762.db2.gz ONYJZRQUDGSSIR-SNVBAGLBSA-N 1 0 269.341 1.924 20 10 CDCDRO Cc1cc(N)nc(NCc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC000891967273 617899722 /nfs/dbraw/zinc/89/97/22/617899722.db2.gz HPCJBNAAHXTETN-UHFFFAOYSA-N 1 0 299.378 1.816 20 10 CDCDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000840980440 617993850 /nfs/dbraw/zinc/99/38/50/617993850.db2.gz ZXKXEIREFWYUJG-QWRGUYRKSA-N 1 0 279.336 1.714 20 10 CDCDRO CCC[N@H+](CCO)Cc1cc(C)cc(OC)c1O ZINC000893893162 618163358 /nfs/dbraw/zinc/16/33/58/618163358.db2.gz CZPCRQLAQSZOJL-UHFFFAOYSA-N 1 0 253.342 1.914 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1O ZINC000893978020 618232616 /nfs/dbraw/zinc/23/26/16/618232616.db2.gz MZIRMUDUMZLWDW-CYBMUJFWSA-N 1 0 292.379 1.939 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)[C@@H]1OC ZINC000894466530 618903712 /nfs/dbraw/zinc/90/37/12/618903712.db2.gz HGKDFVHUUYGRAW-XPKDYRNWSA-N 1 0 295.379 1.991 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCN(CCO)[C@@H](C)C2)c1O ZINC000894503572 618924131 /nfs/dbraw/zinc/92/41/31/618924131.db2.gz JWLOYKSLTFVHPG-ZDUSSCGKSA-N 1 0 294.395 1.208 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c(O)c1 ZINC000894611762 618989729 /nfs/dbraw/zinc/98/97/29/618989729.db2.gz SITUQLTYEPMKET-UHFFFAOYSA-N 1 0 288.351 1.835 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894749618 619042742 /nfs/dbraw/zinc/04/27/42/619042742.db2.gz ABCLDCVDWOEPGX-VIFPVBQESA-N 1 0 282.340 1.024 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000895046824 619217708 /nfs/dbraw/zinc/21/77/08/619217708.db2.gz WWJIXLOCEUINNO-UHFFFAOYSA-N 1 0 274.320 1.655 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)c(O)c1OC ZINC000895395757 619631590 /nfs/dbraw/zinc/63/15/90/619631590.db2.gz BUKIPGBHDHCHPJ-LBPRGKRZSA-N 1 0 295.379 1.908 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c(O)c1 ZINC000895795066 619848807 /nfs/dbraw/zinc/84/88/07/619848807.db2.gz SELUOFYGHINOPK-PWSUYJOCSA-N 1 0 269.366 1.223 20 10 CDCDRO CCOC[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045827 621588973 /nfs/dbraw/zinc/58/89/73/621588973.db2.gz QYEFEDNWTVKUMW-WFASDCNBSA-N 1 0 265.401 1.767 20 10 CDCDRO CON(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899104199 622046710 /nfs/dbraw/zinc/04/67/10/622046710.db2.gz QRZGKXYQRLYOET-CQSZACIVSA-N 1 0 294.399 1.558 20 10 CDCDRO CN(C)c1ccc([C@@H](CNC(N)=O)[NH+](C)C)cc1 ZINC000899462623 622266808 /nfs/dbraw/zinc/26/68/08/622266808.db2.gz JZSFXIRDMPIVQJ-GFCCVEGCSA-N 1 0 250.346 1.024 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[NH2+]1 ZINC000903441461 625993078 /nfs/dbraw/zinc/99/30/78/625993078.db2.gz TURJWRFGNKLYRW-MRXNPFEDSA-N 1 0 289.423 1.707 20 10 CDCDRO CN(C)c1ccc([C@H](CNCC[N+](=O)[O-])[NH+](C)C)cc1 ZINC000905706453 626933561 /nfs/dbraw/zinc/93/35/61/626933561.db2.gz VCJMPJGXAHOINC-AWEZNQCLSA-N 1 0 280.372 1.222 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000915830592 631834893 /nfs/dbraw/zinc/83/48/93/631834893.db2.gz RKBWWEKNNJQJGO-NSHDSACASA-N 1 0 278.352 1.407 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000706846346 1158765399 /nfs/dbraw/zinc/76/53/99/1158765399.db2.gz FSQJOJZDWKSKLU-QMMMGPOBSA-N 1 0 271.158 1.688 20 10 CDCDRO C[C@@]1(CO)C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140057704 1158540138 /nfs/dbraw/zinc/54/01/38/1158540138.db2.gz KTUYEFSPYVHERQ-KGLIPLIRSA-N 1 0 269.316 1.097 20 10 CDCDRO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000866457317 1164783900 /nfs/dbraw/zinc/78/39/00/1164783900.db2.gz MECFJIAOLYRQME-SECBINFHSA-N 1 0 290.360 1.121 20 10 CDCDRO CC1(C)[C@H](NC(=O)c2cccc(O)c2O)[C@H]2CCC[NH2+][C@H]21 ZINC001576384291 1171409023 /nfs/dbraw/zinc/40/90/23/1171409023.db2.gz PQCDXZGRZDPKSR-ZLKJLUDKSA-N 1 0 290.363 1.604 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CNCCO2)C2CC2)cc1 ZINC001578425872 1171906215 /nfs/dbraw/zinc/90/62/15/1171906215.db2.gz PVCLMRJNERAODC-KRWDZBQOSA-N 1 0 289.423 1.705 20 10 CDCDRO Oc1cc(F)c(F)cc1CNCC12CC(C1)C[NH2+]2 ZINC001580888437 1172565875 /nfs/dbraw/zinc/56/58/75/1172565875.db2.gz LAYPDYBBOIDAKF-UHFFFAOYSA-N 1 0 254.280 1.512 20 10 CDCDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000126667415 1175485672 /nfs/dbraw/zinc/48/56/72/1175485672.db2.gz VBRRLBHSPZUYIO-SNVBAGLBSA-N 1 0 264.325 1.312 20 10 CDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000312426255 1186699495 /nfs/dbraw/zinc/69/94/95/1186699495.db2.gz RYBSKEFKYCTPMZ-MRXNPFEDSA-N 1 0 278.396 1.774 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1C ZINC000835061893 754336398 /nfs/dbraw/zinc/33/63/98/754336398.db2.gz VUKREBKMDKUITB-HNNXBMFYSA-N 1 0 262.353 1.762 20 10 CDCDRO CCOc1ccc(CN2CCC[C@@H]([NH3+])C2)c(O)c1 ZINC000843044209 755749925 /nfs/dbraw/zinc/74/99/25/755749925.db2.gz YJSIGDLIJKOOOK-GFCCVEGCSA-N 1 0 250.342 1.714 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000922641588 753857725 /nfs/dbraw/zinc/85/77/25/753857725.db2.gz PCHRTVNFHYWRII-GXFFZTMASA-N 1 0 251.326 1.915 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000780939896 753864616 /nfs/dbraw/zinc/86/46/16/753864616.db2.gz KPPVYNNELRZSCQ-LLVKDONJSA-N 1 0 280.368 1.866 20 10 CDCDRO FC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000840954458 753865567 /nfs/dbraw/zinc/86/55/67/753865567.db2.gz JSIFQEPMZHGISH-MRXNPFEDSA-N 1 0 294.370 1.694 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@@H]2CCOC2)c(O)c1 ZINC000230163419 753876874 /nfs/dbraw/zinc/87/68/74/753876874.db2.gz CDGHIYUFGGEAQN-LLVKDONJSA-N 1 0 251.326 1.917 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCN2CCCC2=O)c1O ZINC000093320289 753898295 /nfs/dbraw/zinc/89/82/95/753898295.db2.gz FNALZSLNHCZWLO-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000828667863 753931987 /nfs/dbraw/zinc/93/19/87/753931987.db2.gz VIADQBULASMWCR-NKFCBESUSA-N 1 0 290.363 1.578 20 10 CDCDRO Cc1cc(CN2C[C@@H](C)O[C@H](CO)C2)ccc1N(C)C ZINC000815100859 753943012 /nfs/dbraw/zinc/94/30/12/753943012.db2.gz WAPHEXWXUOQGSC-HIFRSBDPSA-N 1 0 278.396 1.643 20 10 CDCDRO C[C@@]1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCOC1 ZINC000877121662 753995314 /nfs/dbraw/zinc/99/53/14/753995314.db2.gz YNULYTKBILBGFP-QGZVFWFLSA-N 1 0 290.407 1.916 20 10 CDCDRO COC[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000825158551 754009220 /nfs/dbraw/zinc/00/92/20/754009220.db2.gz PTGWZXVEARELQW-CQSZACIVSA-N 1 0 269.316 1.362 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1 ZINC000841098446 754034626 /nfs/dbraw/zinc/03/46/26/754034626.db2.gz DXRRCYMFFIAJBZ-MRXNPFEDSA-N 1 0 277.412 1.611 20 10 CDCDRO COc1c(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000775103446 754059343 /nfs/dbraw/zinc/05/93/43/754059343.db2.gz XZMIYRPTVSLQHY-SCZZXKLOSA-N 1 0 282.296 1.264 20 10 CDCDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 ZINC000819718081 754059933 /nfs/dbraw/zinc/05/99/33/754059933.db2.gz CUCQPANHBFLAFT-CMPLNLGQSA-N 1 0 276.336 1.264 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000386439736 754081590 /nfs/dbraw/zinc/08/15/90/754081590.db2.gz CEAHYDNEJPGHLJ-NSHDSACASA-N 1 0 269.366 1.404 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCCN2CCOCC2)c1O ZINC000846138932 754082556 /nfs/dbraw/zinc/08/25/56/754082556.db2.gz XXTFHLQSTKJDKJ-ZDUSSCGKSA-N 1 0 294.395 1.774 20 10 CDCDRO COCCN(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000389309785 754083602 /nfs/dbraw/zinc/08/36/02/754083602.db2.gz QWZDXYIJGRJEKQ-ZDUSSCGKSA-N 1 0 264.369 1.547 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000876740364 754084346 /nfs/dbraw/zinc/08/43/46/754084346.db2.gz LWEWBOOHJOQMJR-SNVBAGLBSA-N 1 0 267.348 1.506 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000036330940 754127084 /nfs/dbraw/zinc/12/70/84/754127084.db2.gz PIALVTIPYZUTHX-UHFFFAOYSA-N 1 0 285.365 1.068 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](CO)(COC)C2)cc1 ZINC000832399920 754191338 /nfs/dbraw/zinc/19/13/38/754191338.db2.gz HMIKQDIBDWUASZ-QGZVFWFLSA-N 1 0 292.423 1.974 20 10 CDCDRO CCOc1cccc(CN2C[C@@H](F)C[C@H]2C[NH2+]C)c1O ZINC000843122055 754246133 /nfs/dbraw/zinc/24/61/33/754246133.db2.gz OMCVRQRGRDYRQC-STQMWFEESA-N 1 0 282.359 1.923 20 10 CDCDRO CC[NH2+]CCCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841827353 754280880 /nfs/dbraw/zinc/28/08/80/754280880.db2.gz MGHNKDWILXFICV-UHFFFAOYSA-N 1 0 292.427 1.860 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CO)CCOC)c(O)c1 ZINC000798505721 754299294 /nfs/dbraw/zinc/29/92/94/754299294.db2.gz UXLWRHFBGDEUHN-LBPRGKRZSA-N 1 0 269.341 1.278 20 10 CDCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000861549090 754353392 /nfs/dbraw/zinc/35/33/92/754353392.db2.gz FSPSAPPOOQOMJS-LLVKDONJSA-N 1 0 264.373 1.241 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000877397461 754363502 /nfs/dbraw/zinc/36/35/02/754363502.db2.gz IAWXIXGWTXTILT-HNNXBMFYSA-N 1 0 263.337 1.692 20 10 CDCDRO CNC(=O)CCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000847009003 754382809 /nfs/dbraw/zinc/38/28/09/754382809.db2.gz OBVLKLKGBZEZCY-UHFFFAOYSA-N 1 0 293.411 1.589 20 10 CDCDRO COc1cccc(C[N@H+](C)CCN2CCCC2=O)c1O ZINC000093320385 754392618 /nfs/dbraw/zinc/39/26/18/754392618.db2.gz ALXLVCIRCVCZHY-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccccc1O ZINC000775412491 754394709 /nfs/dbraw/zinc/39/47/09/754394709.db2.gz NJQVOQGATBRNCU-AWEZNQCLSA-N 1 0 291.395 1.207 20 10 CDCDRO F[C@@H]1CN[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000841080256 754425953 /nfs/dbraw/zinc/42/59/53/754425953.db2.gz VVFXALCEHCOAKZ-GJZGRUSLSA-N 1 0 293.386 1.313 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000841027304 754439384 /nfs/dbraw/zinc/43/93/84/754439384.db2.gz NPPVMQIZLAGZQR-WCQYABFASA-N 1 0 292.379 1.593 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)c1 ZINC000884309990 754444444 /nfs/dbraw/zinc/44/44/44/754444444.db2.gz LMSSOIXJSWMNHM-ZANVPECISA-N 1 0 278.352 1.705 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH2+]C[C@@H]2C)c1 ZINC000843048059 754461248 /nfs/dbraw/zinc/46/12/48/754461248.db2.gz KYWMJDHATAHGPD-NSHDSACASA-N 1 0 250.342 1.585 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCCOCCO)c1O ZINC000846165573 754470465 /nfs/dbraw/zinc/47/04/65/754470465.db2.gz OVWDPIVCAHRLSN-NSHDSACASA-N 1 0 269.341 1.450 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1C ZINC000877765120 754474450 /nfs/dbraw/zinc/47/44/50/754474450.db2.gz YGHKHOBEROPZMM-OKILXGFUSA-N 1 0 265.353 1.042 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(CO)(CO)CC2)c1O ZINC000877797406 754528016 /nfs/dbraw/zinc/52/80/16/754528016.db2.gz GNEAYVMMAGTDMJ-UHFFFAOYSA-N 1 0 295.379 1.358 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000186067048 754543086 /nfs/dbraw/zinc/54/30/86/754543086.db2.gz SKVAJKNBLAXPAR-WFBYXXMGSA-N 1 0 251.326 1.965 20 10 CDCDRO C[NH+]1CCC(CNC(=O)c2cccc(O)c2O)CC1 ZINC000126351999 754599841 /nfs/dbraw/zinc/59/98/41/754599841.db2.gz NAOPYVLELQZIFH-UHFFFAOYSA-N 1 0 264.325 1.169 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccccn1)Cc1ccccc1O ZINC000111235955 754672807 /nfs/dbraw/zinc/67/28/07/754672807.db2.gz MPHPFTJCXHEIHZ-UHFFFAOYSA-N 1 0 285.347 1.535 20 10 CDCDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccccc2O)C1=O ZINC000842720445 754686652 /nfs/dbraw/zinc/68/66/52/754686652.db2.gz HSPNHIFBTKDZJS-LBPRGKRZSA-N 1 0 262.353 1.881 20 10 CDCDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000827901969 754733438 /nfs/dbraw/zinc/73/34/38/754733438.db2.gz XHAHONJWFRALGT-VIFPVBQESA-N 1 0 253.321 1.245 20 10 CDCDRO CC[NH+](CC)CCn1cc(COc2ccc(N)cc2)nn1 ZINC000864622942 754771845 /nfs/dbraw/zinc/77/18/45/754771845.db2.gz MJSMVPLGQUWYFG-UHFFFAOYSA-N 1 0 289.383 1.781 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000877436942 754803982 /nfs/dbraw/zinc/80/39/82/754803982.db2.gz PKDNPAGOCSXKPT-GWCFXTLKSA-N 1 0 262.353 1.786 20 10 CDCDRO C[NH2+]C[C@H](C)NCc1cc(Br)ccc1O ZINC000853249657 754805450 /nfs/dbraw/zinc/80/54/50/754805450.db2.gz SPHVMPIFKRSVLB-QMMMGPOBSA-N 1 0 273.174 1.852 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c(O)c1 ZINC000794389418 754835297 /nfs/dbraw/zinc/83/52/97/754835297.db2.gz NCRHVLREOHARJT-CQSZACIVSA-N 1 0 290.363 1.644 20 10 CDCDRO c1cc(CNC[C@@H]2C[NH2+]CCCO2)cc2c1OCC2 ZINC000841085622 754854986 /nfs/dbraw/zinc/85/49/86/754854986.db2.gz JAEPXEOBVMDLBT-AWEZNQCLSA-N 1 0 262.353 1.090 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CC2(C)OCCO2)c1O ZINC000846159187 754855218 /nfs/dbraw/zinc/85/52/18/754855218.db2.gz NKGCZPBTZMWDCQ-SNVBAGLBSA-N 1 0 267.325 1.814 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccccc1O ZINC000877255873 754871025 /nfs/dbraw/zinc/87/10/25/754871025.db2.gz JDYDWARBHBYLQA-BXKDBHETSA-N 1 0 250.342 1.943 20 10 CDCDRO Cc1cccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c1O ZINC000305800496 754882910 /nfs/dbraw/zinc/88/29/10/754882910.db2.gz XDJKAQOXTQCHJW-AAEUAGOBSA-N 1 0 251.326 1.282 20 10 CDCDRO COc1ccc(N2CCC[N@H+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844221336 754886217 /nfs/dbraw/zinc/88/62/17/754886217.db2.gz DDXNBNZOOUYKAS-HNNXBMFYSA-N 1 0 289.423 1.817 20 10 CDCDRO C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](C)C[N@@H+]1C ZINC000779547415 754926706 /nfs/dbraw/zinc/92/67/06/754926706.db2.gz KNBZYLLEMCRSEV-OXTPZFROSA-N 1 0 290.363 1.662 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000092132602 755048136 /nfs/dbraw/zinc/04/81/36/755048136.db2.gz GQYMBZOGHBANGT-CYBMUJFWSA-N 1 0 291.395 1.199 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000797903120 755077910 /nfs/dbraw/zinc/07/79/10/755077910.db2.gz OQPRAFZXTFSBBB-LJQANCHMSA-N 1 0 283.393 1.792 20 10 CDCDRO CN(C)c1ccc(Cn2cc(C[NH2+]C3CC3)nn2)cc1 ZINC000881272504 755109200 /nfs/dbraw/zinc/10/92/00/755109200.db2.gz YAYBHQXVPFQWJN-UHFFFAOYSA-N 1 0 271.368 1.644 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC000825016294 755141964 /nfs/dbraw/zinc/14/19/64/755141964.db2.gz AAEQJLAWZQNWRD-IAGOWNOFSA-N 1 0 290.407 1.868 20 10 CDCDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779522999 755208814 /nfs/dbraw/zinc/20/88/14/755208814.db2.gz XTNGYLWQKJBLMA-STMXVASLSA-N 1 0 292.379 1.813 20 10 CDCDRO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccccc1O ZINC000783517676 755210985 /nfs/dbraw/zinc/21/09/85/755210985.db2.gz HUKHSRXIGOELJD-NSHDSACASA-N 1 0 283.393 1.868 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000382570595 755275248 /nfs/dbraw/zinc/27/52/48/755275248.db2.gz QVZOPCDYCOEEDO-WFASDCNBSA-N 1 0 266.385 1.801 20 10 CDCDRO O=C1CO[C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]2N1 ZINC000835056226 755283356 /nfs/dbraw/zinc/28/33/56/755283356.db2.gz HRQRJPLBNCIEFA-AAEUAGOBSA-N 1 0 296.754 1.135 20 10 CDCDRO COCCCNC(=O)C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164208053 755288352 /nfs/dbraw/zinc/28/83/52/755288352.db2.gz GYQOPOLXCHUMRW-UHFFFAOYSA-N 1 0 294.395 1.594 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1 ZINC000824709756 755327423 /nfs/dbraw/zinc/32/74/23/755327423.db2.gz SOPORLWCWYIYDE-NHYWBVRUSA-N 1 0 281.352 1.542 20 10 CDCDRO C[C@@H](C(=O)NC1CC1)N1CCCc2cc(C[NH3+])ccc21 ZINC000700923782 755350037 /nfs/dbraw/zinc/35/00/37/755350037.db2.gz NJZPZTIOGSYUFU-NSHDSACASA-N 1 0 273.380 1.565 20 10 CDCDRO COc1ccc(O)c(CN2CC[NH+](CCCCO)CC2)c1 ZINC000775689329 755392269 /nfs/dbraw/zinc/39/22/69/755392269.db2.gz DBXHYOXOCALXMG-UHFFFAOYSA-N 1 0 294.395 1.291 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCCC[NH+](C)C)c1 ZINC000858102424 755396567 /nfs/dbraw/zinc/39/65/67/755396567.db2.gz AIMURJMYMCNDFJ-UHFFFAOYSA-N 1 0 265.357 1.452 20 10 CDCDRO Cc1cc(O)c(CN2CC[NH+](CC(C)(C)O)CC2)cc1C ZINC000158583015 755431182 /nfs/dbraw/zinc/43/11/82/755431182.db2.gz ZYKKJZHEDNCNKG-UHFFFAOYSA-N 1 0 292.423 1.898 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1F ZINC000858175805 755438997 /nfs/dbraw/zinc/43/89/97/755438997.db2.gz WMXGTOKGLRSSOG-OAHLLOKOSA-N 1 0 297.349 1.789 20 10 CDCDRO C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)S(C)(=O)=O ZINC000790982701 755444915 /nfs/dbraw/zinc/44/49/15/755444915.db2.gz HCAHLCYOVNMPIB-ZETCQYMHSA-N 1 0 295.763 1.707 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1Cl ZINC000825505458 755492179 /nfs/dbraw/zinc/49/21/79/755492179.db2.gz ZFOCIBGPBUDVSR-ZDUSSCGKSA-N 1 0 296.798 1.870 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000825197582 755518359 /nfs/dbraw/zinc/51/83/59/755518359.db2.gz ZSRBOVOXAOXPRX-WDBKCZKBSA-N 1 0 281.352 1.855 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000841826165 755608484 /nfs/dbraw/zinc/60/84/84/755608484.db2.gz DOJRWRLBSFSCMS-LBPRGKRZSA-N 1 0 278.400 1.550 20 10 CDCDRO CC(C)([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597962 755786642 /nfs/dbraw/zinc/78/66/42/755786642.db2.gz XABHUZFCQCXWCP-UHFFFAOYSA-N 1 0 262.353 1.625 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000840930886 755815505 /nfs/dbraw/zinc/81/55/05/755815505.db2.gz PRIHSQUQQADEIQ-QGZVFWFLSA-N 1 0 291.439 1.607 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)cc1F ZINC000876989568 755841657 /nfs/dbraw/zinc/84/16/57/755841657.db2.gz YLVQJVJNIFZPHT-GFCCVEGCSA-N 1 0 279.359 1.650 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841761172 755856644 /nfs/dbraw/zinc/85/66/44/755856644.db2.gz NNUMBQRCXYHHGA-JTQLQIEISA-N 1 0 282.363 1.286 20 10 CDCDRO CC(C)[NH2+]CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000852811867 755867756 /nfs/dbraw/zinc/86/77/56/755867756.db2.gz UUPMMSZAQWEFBQ-UHFFFAOYSA-N 1 0 276.380 1.885 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000190044681 755868655 /nfs/dbraw/zinc/86/86/55/755868655.db2.gz KBDGFZSFEUCXGX-JQWIXIFHSA-N 1 0 251.326 1.604 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCC[NH2+]CC2)c1O ZINC000050153768 755871027 /nfs/dbraw/zinc/87/10/27/755871027.db2.gz LXOMDYDSOROIIF-UHFFFAOYSA-N 1 0 266.316 1.529 20 10 CDCDRO CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981145 755896594 /nfs/dbraw/zinc/89/65/94/755896594.db2.gz ZMBZMQCLSDIOMD-BDAKNGLRSA-N 1 0 253.302 1.688 20 10 CDCDRO CN(C(=O)Cc1ccc(N)cc1)C1CCC([NH3+])CC1 ZINC000237216800 755936414 /nfs/dbraw/zinc/93/64/14/755936414.db2.gz AWVLDUSEBAHEBN-UHFFFAOYSA-N 1 0 261.369 1.540 20 10 CDCDRO COc1cc(O)c(C[NH2+]C/C=C/CO)cc1OC ZINC000826937365 755957706 /nfs/dbraw/zinc/95/77/06/755957706.db2.gz LUHZZSIEJCRXMG-ONEGZZNKSA-N 1 0 253.298 1.048 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000115489528 755995893 /nfs/dbraw/zinc/99/58/93/755995893.db2.gz BPOXTQOBTNFGKA-OAHLLOKOSA-N 1 0 275.396 1.771 20 10 CDCDRO COc1ccc(CNC(=O)[C@H](C)[C@H](C)[NH3+])c(O)c1 ZINC000832178803 756003759 /nfs/dbraw/zinc/00/37/59/756003759.db2.gz XJZGPYNBXTZVPG-BDAKNGLRSA-N 1 0 252.314 1.000 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)c(O)c1 ZINC000884335312 756064397 /nfs/dbraw/zinc/06/43/97/756064397.db2.gz PDHAQAMWRVERKD-GFCCVEGCSA-N 1 0 278.352 1.263 20 10 CDCDRO CCOc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)c(O)c1 ZINC000840964977 756078413 /nfs/dbraw/zinc/07/84/13/756078413.db2.gz VFEGEEKGLWNFOJ-UHFFFAOYSA-N 1 0 299.392 1.458 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000834703066 756151908 /nfs/dbraw/zinc/15/19/08/756151908.db2.gz DNLQHZVQODUYSF-ZDUSSCGKSA-N 1 0 261.369 1.399 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c1 ZINC000886320780 756158198 /nfs/dbraw/zinc/15/81/98/756158198.db2.gz FNWXBZBUIDUGHE-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000398350886 756170023 /nfs/dbraw/zinc/17/00/23/756170023.db2.gz ZSJNTGAJNXYMNY-VXGBXAGGSA-N 1 0 261.369 1.539 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877499946 756184904 /nfs/dbraw/zinc/18/49/04/756184904.db2.gz MVCRCKSXYRXZRS-LBPRGKRZSA-N 1 0 269.366 1.320 20 10 CDCDRO COc1cccc(O)c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127742 756221051 /nfs/dbraw/zinc/22/10/51/756221051.db2.gz SXXMIESPAOAYDT-AAEUAGOBSA-N 1 0 262.353 1.585 20 10 CDCDRO Oc1ccccc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841893564 756313362 /nfs/dbraw/zinc/31/33/62/756313362.db2.gz GTGVQGKPTTWOAE-NSHDSACASA-N 1 0 256.296 1.821 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1C ZINC000862426938 756352287 /nfs/dbraw/zinc/35/22/87/756352287.db2.gz QMUXJLPQLDAGIC-OAHLLOKOSA-N 1 0 265.353 1.592 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000398350883 756397031 /nfs/dbraw/zinc/39/70/31/756397031.db2.gz ZSJNTGAJNXYMNY-NEPJUHHUSA-N 1 0 261.369 1.539 20 10 CDCDRO CC[N@H+](Cc1c(C)cccc1O)[C@H](C)CS(C)(=O)=O ZINC000876735830 756423266 /nfs/dbraw/zinc/42/32/66/756423266.db2.gz ILHYJWRVEMINOE-GFCCVEGCSA-N 1 0 285.409 1.956 20 10 CDCDRO COc1ccc(C[NH2+]C2(C(N)=O)CCOCC2)cc1C ZINC000788435455 756461954 /nfs/dbraw/zinc/46/19/54/756461954.db2.gz ILKMDBMJLMAJJF-UHFFFAOYSA-N 1 0 278.352 1.128 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000817969589 756502200 /nfs/dbraw/zinc/50/22/00/756502200.db2.gz XVNCDPZIMIPTTI-YPMHNXCESA-N 1 0 292.379 1.972 20 10 CDCDRO CC1([NH3+])CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000843107977 756607124 /nfs/dbraw/zinc/60/71/24/756607124.db2.gz QPGZSPKNUPHJBA-UHFFFAOYSA-N 1 0 264.325 1.434 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCCO[C@H]1CCOC1 ZINC000877087218 756704610 /nfs/dbraw/zinc/70/46/10/756704610.db2.gz IJYDHNMHBIKQCH-ZDUSSCGKSA-N 1 0 265.353 1.986 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CO ZINC000191185360 756771788 /nfs/dbraw/zinc/77/17/88/756771788.db2.gz IKMCRKKKGMJBRZ-WMLDXEAASA-N 1 0 290.407 1.726 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](C)O ZINC000387397264 756802143 /nfs/dbraw/zinc/80/21/43/756802143.db2.gz KXCHLWAOLQNJJK-WPRPVWTQSA-N 1 0 253.298 1.370 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](C)C(=O)N(C)CC)c(O)c1 ZINC000788972600 756821345 /nfs/dbraw/zinc/82/13/45/756821345.db2.gz ARZWQDUPOULABS-LLVKDONJSA-N 1 0 280.368 1.747 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)c(O)c1 ZINC000385316832 756848332 /nfs/dbraw/zinc/84/83/32/756848332.db2.gz GPVVXLUGEHPUCD-MFKMUULPSA-N 1 0 251.326 1.915 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(C)C2)cc1F ZINC000858127586 756850652 /nfs/dbraw/zinc/85/06/52/756850652.db2.gz JLIMWTPYADIKBT-LLVKDONJSA-N 1 0 269.339 1.825 20 10 CDCDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000078639422 756857079 /nfs/dbraw/zinc/85/70/79/756857079.db2.gz RLPNUABKWKGPPY-QMMMGPOBSA-N 1 0 277.773 1.568 20 10 CDCDRO COc1ccc(N(C)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000258998145 756857633 /nfs/dbraw/zinc/85/76/33/756857633.db2.gz WLOKWTCRMOTZSI-LLVKDONJSA-N 1 0 250.342 1.750 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)NCC1C[NH2+]C1 ZINC000841964935 756861912 /nfs/dbraw/zinc/86/19/12/756861912.db2.gz OKDNXCTUBPAFEE-UHFFFAOYSA-N 1 0 289.379 1.290 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)C2(C)C[NH2+]C2)cc1 ZINC000846697370 756875129 /nfs/dbraw/zinc/87/51/29/756875129.db2.gz OVSQVKYZGIHZNY-UHFFFAOYSA-N 1 0 291.395 1.199 20 10 CDCDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846143478 756875656 /nfs/dbraw/zinc/87/56/56/756875656.db2.gz GABHCFYRJQOMBO-YGRLFVJLSA-N 1 0 269.341 1.449 20 10 CDCDRO O=S(=O)(CC[NH2+][C@H]1CCc2cccc(O)c21)CC1CC1 ZINC000834685495 757025610 /nfs/dbraw/zinc/02/56/10/757025610.db2.gz XPUFRYMQXPYOOK-ZDUSSCGKSA-N 1 0 295.404 1.794 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000862533123 757207098 /nfs/dbraw/zinc/20/70/98/757207098.db2.gz NQGYVUYRXFKAQS-HUUCEWRRSA-N 1 0 264.369 1.300 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000722357188 757207316 /nfs/dbraw/zinc/20/73/16/757207316.db2.gz VSHYIZFWTLGMGA-AWEZNQCLSA-N 1 0 274.364 1.722 20 10 CDCDRO CN1CCCc2cc(C[NH2+][C@H]3CCCNC(=O)C3)ccc21 ZINC000876986347 757253559 /nfs/dbraw/zinc/25/35/59/757253559.db2.gz BOVACTDGIKRLRA-HNNXBMFYSA-N 1 0 287.407 1.827 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000835075356 757302337 /nfs/dbraw/zinc/30/23/37/757302337.db2.gz WYOZNEARKHWDAX-HOTGVXAUSA-N 1 0 287.407 1.996 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c(O)c1 ZINC000798501533 757370262 /nfs/dbraw/zinc/37/02/62/757370262.db2.gz LMRJSXLMKRVOOG-LBPRGKRZSA-N 1 0 292.379 1.891 20 10 CDCDRO c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc2c1OCC2 ZINC000817902196 757374691 /nfs/dbraw/zinc/37/46/91/757374691.db2.gz KPTJMUFZTKORBK-DLBZAZTESA-N 1 0 288.391 1.478 20 10 CDCDRO COc1cccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1O ZINC000299919029 757413380 /nfs/dbraw/zinc/41/33/80/757413380.db2.gz KZMNWMLMOSOSAZ-WCQYABFASA-N 1 0 262.353 1.585 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000090721540 757443435 /nfs/dbraw/zinc/44/34/35/757443435.db2.gz JLYQHVNTVKHADE-AAEUAGOBSA-N 1 0 264.369 1.973 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000122843968 757499343 /nfs/dbraw/zinc/49/93/43/757499343.db2.gz YAJWQQHLLKIKMC-JTQLQIEISA-N 1 0 267.300 1.548 20 10 CDCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCC(=O)NC1=O ZINC000801599345 757568473 /nfs/dbraw/zinc/56/84/73/757568473.db2.gz KQTDFPHZWRXUCH-CYBMUJFWSA-N 1 0 290.363 1.800 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827133320 757603445 /nfs/dbraw/zinc/60/34/45/757603445.db2.gz SPZCJGXMEFIKOK-OCCSQVGLSA-N 1 0 274.364 1.801 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(F)ccc1O ZINC000704357533 757717068 /nfs/dbraw/zinc/71/70/68/757717068.db2.gz QYRWXTPQPCAGAQ-BXKDBHETSA-N 1 0 266.316 1.803 20 10 CDCDRO COC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)OC ZINC000227705615 757789985 /nfs/dbraw/zinc/78/99/85/757789985.db2.gz MIIKOQAGUHAMOA-LLVKDONJSA-N 1 0 259.733 1.797 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(F)ccc1O ZINC000702652938 757807461 /nfs/dbraw/zinc/80/74/61/757807461.db2.gz NRBAWTWARJNHQE-YGRLFVJLSA-N 1 0 268.332 1.249 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000841823699 757831486 /nfs/dbraw/zinc/83/14/86/757831486.db2.gz GVLNSEOLXBTXHV-CQSZACIVSA-N 1 0 290.411 1.694 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000840975612 757847063 /nfs/dbraw/zinc/84/70/63/757847063.db2.gz ZORHKAJFUATVSV-UHFFFAOYSA-N 1 0 263.341 1.286 20 10 CDCDRO COC[C@]1(CN[C@H]2CCc3cccc(O)c32)CCC[NH2+]1 ZINC000817975032 757848009 /nfs/dbraw/zinc/84/80/09/757848009.db2.gz QBFFNHNNGLXKHD-XJKSGUPXSA-N 1 0 276.380 1.738 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)CC1=O ZINC000391524135 757852067 /nfs/dbraw/zinc/85/20/67/757852067.db2.gz DYCAOOZNDJALBJ-KOLCDFICSA-N 1 0 266.316 1.803 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000114540859 757858961 /nfs/dbraw/zinc/85/89/61/757858961.db2.gz AOQVSVOPBIXELX-CQSZACIVSA-N 1 0 280.368 1.603 20 10 CDCDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(O)c1O ZINC000185706534 757861050 /nfs/dbraw/zinc/86/10/50/757861050.db2.gz CIXUZORMNVATTR-GFCCVEGCSA-N 1 0 278.352 1.510 20 10 CDCDRO CN1CCC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000704346655 757884656 /nfs/dbraw/zinc/88/46/56/757884656.db2.gz YSIMYHJDFUVKGC-NEPJUHHUSA-N 1 0 260.337 1.590 20 10 CDCDRO OCC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000775029494 757913856 /nfs/dbraw/zinc/91/38/56/757913856.db2.gz ORAFXIUMOPLCJC-CYBMUJFWSA-N 1 0 271.744 1.677 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H](O)C2CCC2)cc1OC ZINC000825240191 757970913 /nfs/dbraw/zinc/97/09/13/757970913.db2.gz IWUGUHVMLFNHMN-CYBMUJFWSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCOCCO)c1O ZINC000846138540 757981466 /nfs/dbraw/zinc/98/14/66/757981466.db2.gz WARIXYDICPQBFF-SNVBAGLBSA-N 1 0 255.314 1.060 20 10 CDCDRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000795582096 758048482 /nfs/dbraw/zinc/04/84/82/758048482.db2.gz ICFSLICDAABHFW-JQWIXIFHSA-N 1 0 285.771 1.780 20 10 CDCDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCC1 ZINC000825440644 758271140 /nfs/dbraw/zinc/27/11/40/758271140.db2.gz AGEJUCSOXMGXFZ-VIFPVBQESA-N 1 0 282.315 1.451 20 10 CDCDRO COCC(C)(C)[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000822498109 758330776 /nfs/dbraw/zinc/33/07/76/758330776.db2.gz UWDLGPHZGVHTQJ-UHFFFAOYSA-N 1 0 278.396 1.935 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1c([O-])cccc1F ZINC000886525004 758347817 /nfs/dbraw/zinc/34/78/17/758347817.db2.gz VOMAWVBXFMFOGA-QWHCGFSZSA-N 1 0 295.402 1.818 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](C)O ZINC000819374546 758355310 /nfs/dbraw/zinc/35/53/10/758355310.db2.gz FYVXOZNZUMJUBR-STQMWFEESA-N 1 0 250.386 1.962 20 10 CDCDRO COc1cc(O)c(CN(C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000843049720 758453337 /nfs/dbraw/zinc/45/33/37/758453337.db2.gz TWEFRJQUDJUWMK-LLVKDONJSA-N 1 0 266.341 1.203 20 10 CDCDRO CN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000704345312 758477940 /nfs/dbraw/zinc/47/79/40/758477940.db2.gz ONSRLISRDGOEOP-CYBMUJFWSA-N 1 0 260.337 1.332 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(OC)ccc1O ZINC000114542935 758625425 /nfs/dbraw/zinc/62/54/25/758625425.db2.gz UEVUOMBSQDJCJD-AWEZNQCLSA-N 1 0 292.379 1.891 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NCC[NH2+]C2CC2)c1 ZINC000841928294 758656141 /nfs/dbraw/zinc/65/61/41/758656141.db2.gz MNXOVYHUZPBMEY-JTQLQIEISA-N 1 0 293.367 1.513 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)CO ZINC000929185776 758657582 /nfs/dbraw/zinc/65/75/82/758657582.db2.gz ZDLCPQFPOCBHDP-INIZCTEOSA-N 1 0 278.396 1.462 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC2CCC2)c1 ZINC000182464494 758665331 /nfs/dbraw/zinc/66/53/31/758665331.db2.gz WSNAGWZURJBGBT-NSHDSACASA-N 1 0 292.379 1.968 20 10 CDCDRO C[C@@H]([NH3+])CN(C)C(=O)NCCCSc1nccs1 ZINC000861609713 758818494 /nfs/dbraw/zinc/81/84/94/758818494.db2.gz OEMBQZVQGROANZ-SECBINFHSA-N 1 0 288.442 1.614 20 10 CDCDRO COc1ccc(N(C)CCN(C)Cc2ccn(C)n2)cc1 ZINC000844402448 758829907 /nfs/dbraw/zinc/82/99/07/758829907.db2.gz XPNYEVCLXNXJQT-UHFFFAOYSA-N 1 0 288.395 1.997 20 10 CDCDRO CCN1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC000041117900 1165994592 /nfs/dbraw/zinc/99/45/92/1165994592.db2.gz SFMZWBQIMIDSIN-UHFFFAOYSA-N 1 0 250.342 1.672 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)c(O)c1 ZINC001206221599 912994184 /nfs/dbraw/zinc/99/41/84/912994184.db2.gz IFOCKFZUAPCOAL-LBPRGKRZSA-N 1 0 290.285 1.866 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC001122927738 914005431 /nfs/dbraw/zinc/00/54/31/914005431.db2.gz FKAVDPJJRRWPKD-SMDDNHRTSA-N 1 0 276.380 1.865 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC001141032007 899342552 /nfs/dbraw/zinc/34/25/52/899342552.db2.gz PXZQZZSNSCGKSM-JTQLQIEISA-N 1 0 294.351 1.107 20 10 CDCDRO Oc1cc(Cl)c(F)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236288191 914876951 /nfs/dbraw/zinc/87/69/51/914876951.db2.gz GNWKZOMTIHYTAF-GZMMTYOYSA-N 1 0 256.708 1.588 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841946752 908832909 /nfs/dbraw/zinc/83/29/09/908832909.db2.gz KWUFZJONXRLOKP-LBPRGKRZSA-N 1 0 263.341 1.271 20 10 CDCDRO O=C1C[C@H]([N@H+]2CCc3cccc(O)c3C2)CCN1C1CC1 ZINC001172026720 911136299 /nfs/dbraw/zinc/13/62/99/911136299.db2.gz RNECOXGWLUYABX-CQSZACIVSA-N 1 0 286.375 1.904 20 10 CDCDRO O=C(NCc1ccccc1O)C12CC[NH+](CC1)CC2 ZINC001181552169 917151112 /nfs/dbraw/zinc/15/11/12/917151112.db2.gz OAWWVTPFFGOGEA-UHFFFAOYSA-N 1 0 260.337 1.494 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204352019 918041106 /nfs/dbraw/zinc/04/11/06/918041106.db2.gz XXRVYALCWZSXBC-OAHLLOKOSA-N 1 0 295.335 1.491 20 10 CDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499455 936543052 /nfs/dbraw/zinc/54/30/52/936543052.db2.gz KTGJSIDBLKPPRW-MRXNPFEDSA-N 1 0 288.391 1.934 20 10 CDCDRO CCOc1cccc(C[NH+]2CCN(C3COC3)CC2)c1O ZINC001203602337 919340957 /nfs/dbraw/zinc/34/09/57/919340957.db2.gz PZJLIOPVTLHTGD-UHFFFAOYSA-N 1 0 292.379 1.307 20 10 CDCDRO O=C1OCCN1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000827741033 936605576 /nfs/dbraw/zinc/60/55/76/936605576.db2.gz MDFZGWZPCVZCLS-UHFFFAOYSA-N 1 0 294.326 1.948 20 10 CDCDRO CC(C)c1ccc(CN2C[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205370033 920160592 /nfs/dbraw/zinc/16/05/92/920160592.db2.gz KLCVXPVLUIGOMR-TZMCWYRMSA-N 1 0 250.342 1.019 20 10 CDCDRO C[N@H+](C1CN(Cc2c(O)cccc2Cl)C1)[C@@H]1CCOC1 ZINC001140341618 936703592 /nfs/dbraw/zinc/70/35/92/936703592.db2.gz ZNTFPMFWGJDBHR-LLVKDONJSA-N 1 0 296.798 1.951 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1O ZINC001140462887 936712525 /nfs/dbraw/zinc/71/25/25/936712525.db2.gz NJMPQRJMFGGYBW-ZYHUDNBSSA-N 1 0 271.744 1.221 20 10 CDCDRO O=C1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@H]2CCCN12 ZINC001140585463 936728212 /nfs/dbraw/zinc/72/82/12/936728212.db2.gz JKCSSNFVBHTCGG-LLVKDONJSA-N 1 0 296.317 1.867 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@H](O)C2)c1O ZINC001140744443 936748844 /nfs/dbraw/zinc/74/88/44/936748844.db2.gz XQIMDJRNHUWFLN-GFCCVEGCSA-N 1 0 251.326 1.753 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CC12CC2 ZINC001140751198 936750096 /nfs/dbraw/zinc/75/00/96/936750096.db2.gz NBKIBDULCPWYLQ-LBPRGKRZSA-N 1 0 291.347 1.791 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(O)c1 ZINC001140947941 936782420 /nfs/dbraw/zinc/78/24/20/936782420.db2.gz MBIGHTMYNVJKRG-JGGQBBKZSA-N 1 0 277.364 1.672 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141032926 936795632 /nfs/dbraw/zinc/79/56/32/936795632.db2.gz SVBDXYJAWZGUOH-JTQLQIEISA-N 1 0 267.325 1.630 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H]12 ZINC001141162847 936823805 /nfs/dbraw/zinc/82/38/05/936823805.db2.gz HOFWVPJBNGONLB-GWCFXTLKSA-N 1 0 261.321 1.899 20 10 CDCDRO Oc1ccc(O)c(CN2CCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC001141162726 936823936 /nfs/dbraw/zinc/82/39/36/936823936.db2.gz BEMBKUQZMSZMST-OAHLLOKOSA-N 1 0 292.379 1.394 20 10 CDCDRO C[N@@H+]1CCC[C@@](C)(NC(=O)c2ccc(O)c(O)c2Cl)C1 ZINC001193247094 923563711 /nfs/dbraw/zinc/56/37/11/923563711.db2.gz KSVDQPIHWRQVKG-CQSZACIVSA-N 1 0 298.770 1.965 20 10 CDCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(O)cc2O)C1 ZINC001205807291 925163645 /nfs/dbraw/zinc/16/36/45/925163645.db2.gz ZQEQQMVEPUBYQH-CMPLNLGQSA-N 1 0 250.342 1.657 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841760490 937013804 /nfs/dbraw/zinc/01/38/04/937013804.db2.gz WHCNBRYBFBIPQP-LBPRGKRZSA-N 1 0 290.411 1.463 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c1O ZINC000775983100 925754402 /nfs/dbraw/zinc/75/44/02/925754402.db2.gz BBZBYQPOLZVXJF-VXGBXAGGSA-N 1 0 264.369 1.925 20 10 CDCDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(N2CCOCC2)c(F)c1 ZINC000850509406 927438108 /nfs/dbraw/zinc/43/81/08/927438108.db2.gz PPFATYCEVFCJDJ-ZRMMWKCHSA-N 1 0 294.370 1.861 20 10 CDCDRO CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001169559174 928173554 /nfs/dbraw/zinc/17/35/54/928173554.db2.gz DIQPGKTYFPEHOC-MRXNPFEDSA-N 1 0 275.396 1.805 20 10 CDCDRO CS(=O)(=O)C1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001169861779 928486038 /nfs/dbraw/zinc/48/60/38/928486038.db2.gz VISCXVVZNCBJSG-UHFFFAOYSA-N 1 0 299.392 1.543 20 10 CDCDRO CCc1cccc(C[NH2+]CCCNC(C)=O)c1O ZINC000691436663 928628628 /nfs/dbraw/zinc/62/86/28/928628628.db2.gz SOYODNAAARHYJD-UHFFFAOYSA-N 1 0 250.342 1.570 20 10 CDCDRO CCc1cccc(C[NH2+]CCOCCOC)c1O ZINC000691496857 929063731 /nfs/dbraw/zinc/06/37/31/929063731.db2.gz WCHOMEVPZJTLDJ-UHFFFAOYSA-N 1 0 253.342 1.707 20 10 CDCDRO OCCCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785531348 929154633 /nfs/dbraw/zinc/15/46/33/929154633.db2.gz HAEGTEOOJBDQQB-UHFFFAOYSA-N 1 0 282.359 1.524 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+][C@@H]2CCCOCC2)cc1O ZINC001170767198 929854060 /nfs/dbraw/zinc/85/40/60/929854060.db2.gz QDPDGSZERIZJGS-RISCZKNCSA-N 1 0 267.325 1.290 20 10 CDCDRO CCCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CC[N@H+](C)C1 ZINC000843990646 931521776 /nfs/dbraw/zinc/52/17/76/931521776.db2.gz WIFVPZFKSYNSGD-GFCCVEGCSA-N 1 0 292.379 1.963 20 10 CDCDRO Oc1ccccc1C[NH+]1CC2(CN(CCn3ccnc3)C2)C1 ZINC001275267633 931718756 /nfs/dbraw/zinc/71/87/56/931718756.db2.gz UROBUTLXLZIJSP-UHFFFAOYSA-N 1 0 298.390 1.407 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509068 931874452 /nfs/dbraw/zinc/87/44/52/931874452.db2.gz JVKVSIWYGISTOJ-SNVBAGLBSA-N 1 0 294.351 1.104 20 10 CDCDRO CN1C[C@@H]2CCC[N@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001144514695 931876822 /nfs/dbraw/zinc/87/68/22/931876822.db2.gz OYQGFKWWCDTUJS-GXFFZTMASA-N 1 0 278.352 1.329 20 10 CDCDRO C[N@H+](C1CC1)C1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144515758 931880479 /nfs/dbraw/zinc/88/04/79/931880479.db2.gz XTPWKJPGWHIARX-UHFFFAOYSA-N 1 0 292.379 1.862 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@]23CCOC3)c(O)c1 ZINC001144516464 931881431 /nfs/dbraw/zinc/88/14/31/931881431.db2.gz ZAKZLZICONSTFL-CYBMUJFWSA-N 1 0 251.282 1.168 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000688453953 934611186 /nfs/dbraw/zinc/61/11/86/934611186.db2.gz QZZAZDUOAMYLLO-CYBMUJFWSA-N 1 0 261.369 1.221 20 10 CDCDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N)cc1 ZINC001120677810 937824889 /nfs/dbraw/zinc/82/48/89/937824889.db2.gz XIPXWTTXWMINEX-DOMZBBRYSA-N 1 0 290.411 1.750 20 10 CDCDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC001122264622 937916551 /nfs/dbraw/zinc/91/65/51/937916551.db2.gz TWLHJYZSFZWDSX-WOPDTQHZSA-N 1 0 261.369 1.409 20 10 CDCDRO Oc1ccc(CNc2cc(C3C[NH2+]C3)ncn2)cc1O ZINC001159005451 938688638 /nfs/dbraw/zinc/68/86/38/938688638.db2.gz LGQUXCVFLMRBFN-UHFFFAOYSA-N 1 0 272.308 1.187 20 10 CDCDRO Nc1ccc(CNc2ccc(OC3CC[NH2+]CC3)nn2)cc1 ZINC001162787976 939138283 /nfs/dbraw/zinc/13/82/83/939138283.db2.gz VTHWPKWCRGABRL-UHFFFAOYSA-N 1 0 299.378 1.802 20 10 CDCDRO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001203550039 939692596 /nfs/dbraw/zinc/69/25/96/939692596.db2.gz FZGOYVZXONAFPW-NJZAAPMLSA-N 1 0 263.337 1.364 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1O ZINC001203585589 939694253 /nfs/dbraw/zinc/69/42/53/939694253.db2.gz QFTPENQYEIWYBN-DGCLKSJQSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c1O ZINC001203589787 939694669 /nfs/dbraw/zinc/69/46/69/939694669.db2.gz ONEYLSBHVRULSY-NJZAAPMLSA-N 1 0 293.363 1.373 20 10 CDCDRO COc1cccc(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)c1O ZINC001203596840 939695278 /nfs/dbraw/zinc/69/52/78/939695278.db2.gz ONJRLJPRIKXOTD-JSGCOSHPSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c1O ZINC001203601956 939695701 /nfs/dbraw/zinc/69/57/01/939695701.db2.gz SQMSGIPPNLKZHM-CYBMUJFWSA-N 1 0 290.363 1.598 20 10 CDCDRO CCOc1cccc(C[NH+]2CC3(C2)CCN(C)C3=O)c1O ZINC001203617218 939696781 /nfs/dbraw/zinc/69/67/81/939696781.db2.gz MFFMASRENANIKR-UHFFFAOYSA-N 1 0 290.363 1.455 20 10 CDCDRO COc1ccc(C[NH+]2CCC(C)(C(N)=O)CC2)c(O)c1 ZINC001203628062 939697936 /nfs/dbraw/zinc/69/79/36/939697936.db2.gz XXEUAPQLEJDAEF-UHFFFAOYSA-N 1 0 278.352 1.488 20 10 CDCDRO CN(CC[NH+]1CCCC1)Cc1ccc(O)c(O)c1 ZINC001203880381 939711165 /nfs/dbraw/zinc/71/11/65/939711165.db2.gz PVIAVUJMCRWFAH-UHFFFAOYSA-N 1 0 250.342 1.625 20 10 CDCDRO Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)cc1O ZINC001203884630 939711940 /nfs/dbraw/zinc/71/19/40/939711940.db2.gz WJNAEVFJPASTAV-GFCCVEGCSA-N 1 0 287.319 1.541 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC(C(N)=O)C2)cc1 ZINC001203942850 939715229 /nfs/dbraw/zinc/71/52/29/939715229.db2.gz VGBOODYZKBQQGB-UHFFFAOYSA-N 1 0 261.369 1.450 20 10 CDCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(O)cc3O)CC[N@@H+]2C1 ZINC001204274134 939750192 /nfs/dbraw/zinc/75/01/92/939750192.db2.gz JRRAZFYVFYVOMF-DZGCQCFKSA-N 1 0 292.379 1.393 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204275852 939750424 /nfs/dbraw/zinc/75/04/24/939750424.db2.gz CXHOQMNWYUUMKG-GWCFXTLKSA-N 1 0 251.326 1.691 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]1C(F)(F)F ZINC001204276319 939750563 /nfs/dbraw/zinc/75/05/63/939750563.db2.gz KMRIXTRMOSNVPU-KOLCDFICSA-N 1 0 291.269 1.700 20 10 CDCDRO Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001204281476 939752556 /nfs/dbraw/zinc/75/25/56/939752556.db2.gz GHQQJOKTIAWVKR-CYBMUJFWSA-N 1 0 287.319 1.541 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204345912 939758555 /nfs/dbraw/zinc/75/85/55/939758555.db2.gz YQUXNOOBUYQFPD-UHFFFAOYSA-N 1 0 283.324 1.491 20 10 CDCDRO Cc1cc(CN2C[C@H]([NH3+])C[C@@H](O)C2)c(C)n1-c1ccccc1 ZINC001204954021 939807911 /nfs/dbraw/zinc/80/79/11/939807911.db2.gz DFEHVMJCHYWVLO-SJLPKXTDSA-N 1 0 299.418 1.988 20 10 CDCDRO COC(=O)Cc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205201692 939834653 /nfs/dbraw/zinc/83/46/53/939834653.db2.gz KFLVYJZFYOOKPK-ZWNOBZJWSA-N 1 0 278.352 1.029 20 10 CDCDRO Oc1cc2c(cc1O)C[N@H+](CCCC1OCCO1)CCC2 ZINC001209311321 940459209 /nfs/dbraw/zinc/45/92/09/940459209.db2.gz YRYFDGIFCISZDL-UHFFFAOYSA-N 1 0 293.363 1.999 20 10 CDCDRO Cc1cc(N)[nH+]cc1N(CCO)c1ccc(N)cc1 ZINC001209965463 940654654 /nfs/dbraw/zinc/65/46/54/940654654.db2.gz CGWZHFCIQLVOML-UHFFFAOYSA-N 1 0 258.325 1.685 20 10 CDCDRO CN(C)C(=O)C12CC([NH2+]Cc3ccc4c(c3)CCO4)(C1)C2 ZINC001278290525 945353469 /nfs/dbraw/zinc/35/34/69/945353469.db2.gz QRFXMDXRKBANJR-UHFFFAOYSA-N 1 0 286.375 1.722 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC[C@H]3C[C@@H](O)C3)cc2)CC1 ZINC001218434456 941218117 /nfs/dbraw/zinc/21/81/17/941218117.db2.gz JELDPRRGBTXTJP-FZNQNYSPSA-N 1 0 290.407 1.978 20 10 CDCDRO CN(C)C(=O)C12CC([NH2+]Cc3ccc(O)c(O)c3)(C1)C2 ZINC001276913462 941692687 /nfs/dbraw/zinc/69/26/87/941692687.db2.gz CZWSYHMPYGWIIY-UHFFFAOYSA-N 1 0 276.336 1.198 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)cc1C ZINC001276926756 941703178 /nfs/dbraw/zinc/70/31/78/941703178.db2.gz XEJHCZSVQSHRRT-BFJAYTPKSA-N 1 0 288.391 1.993 20 10 CDCDRO COCCCN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231592273 942937848 /nfs/dbraw/zinc/93/78/48/942937848.db2.gz IJBWRKDNUJDIFA-UHFFFAOYSA-N 1 0 278.396 1.855 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@H]1O ZINC001232260490 943191965 /nfs/dbraw/zinc/19/19/65/943191965.db2.gz QWFQUNXPFMTRRJ-KCJUWKMLSA-N 1 0 271.744 1.954 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2O)CCO1 ZINC001232840924 943416801 /nfs/dbraw/zinc/41/68/01/943416801.db2.gz MZVTVTVXHAJMAY-AWEZNQCLSA-N 1 0 280.368 1.305 20 10 CDCDRO C[NH+](C)[C@H]1CCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233485359 943592655 /nfs/dbraw/zinc/59/26/55/943592655.db2.gz SCRVUMZHLAPGSY-NSHDSACASA-N 1 0 266.341 1.329 20 10 CDCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485765 943593765 /nfs/dbraw/zinc/59/37/65/943593765.db2.gz KFEPCHBFPWOTEX-OAHLLOKOSA-N 1 0 295.335 1.579 20 10 CDCDRO CCOc1cccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235039559 944017315 /nfs/dbraw/zinc/01/73/15/944017315.db2.gz VKFUVCKTRHHQQK-QWHCGFSZSA-N 1 0 262.353 1.727 20 10 CDCDRO COc1cc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)cc1O ZINC001235170870 944077579 /nfs/dbraw/zinc/07/75/79/944077579.db2.gz MDFJCUGFIXEIAO-IINYFYTJSA-N 1 0 264.325 1.030 20 10 CDCDRO COc1cc(C)c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988919 944352426 /nfs/dbraw/zinc/35/24/26/944352426.db2.gz IUPBXRATRGZEJD-XHDPSFHLSA-N 1 0 262.353 1.632 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(OC)c1 ZINC001236576819 944513526 /nfs/dbraw/zinc/51/35/26/944513526.db2.gz BUHAACLOSQUXQL-PHIMTYICSA-N 1 0 280.368 1.592 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C2CCN(C)CC2)cc1OC ZINC001236749587 944555597 /nfs/dbraw/zinc/55/55/97/944555597.db2.gz HOXRGMCUTHRMSH-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC001237042963 944643388 /nfs/dbraw/zinc/64/33/88/944643388.db2.gz LNSAMFTUKDGLST-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO CCOc1ccc(CN2CCOC[C@H]2C[NH+](C)C)c(O)c1 ZINC001237046430 944645986 /nfs/dbraw/zinc/64/59/86/944645986.db2.gz NMOCHYGXZGQRPE-CQSZACIVSA-N 1 0 294.395 1.553 20 10 CDCDRO Oc1ccc(O)c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237403084 944755757 /nfs/dbraw/zinc/75/57/57/944755757.db2.gz JVFNOCHJKKIPGY-BXUZGUMPSA-N 1 0 262.353 1.672 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001237488100 944814572 /nfs/dbraw/zinc/81/45/72/944814572.db2.gz QWQBYFPUKVNRCC-LBPRGKRZSA-N 1 0 264.344 1.929 20 10 CDCDRO COc1cc(CN(C)CCC[NH+](C)C)c(O)c(OC)c1 ZINC001237675429 944919416 /nfs/dbraw/zinc/91/94/16/944919416.db2.gz XHMVJUPCZDIZHD-UHFFFAOYSA-N 1 0 282.384 1.793 20 10 CDCDRO CNC(=O)C1CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238058357 945044572 /nfs/dbraw/zinc/04/45/72/945044572.db2.gz RAXZRDZURRREEB-UHFFFAOYSA-N 1 0 280.343 1.798 20 10 CDCDRO Cc1cc(F)cc(CN2CCOC[C@H]2C[NH+](C)C)c1O ZINC001238069751 945050170 /nfs/dbraw/zinc/05/01/70/945050170.db2.gz KDRWOSLIKGVKOV-CQSZACIVSA-N 1 0 282.359 1.602 20 10 CDCDRO C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC001261424576 946112635 /nfs/dbraw/zinc/11/26/35/946112635.db2.gz XYBLHXLNGXNJPO-MNOVXSKESA-N 1 0 280.368 1.827 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001262603826 946759882 /nfs/dbraw/zinc/75/98/82/946759882.db2.gz WNLUNRLWMPLHMP-YPMHNXCESA-N 1 0 276.384 1.538 20 10 CDCDRO O=C1C[C@H]2CC([NH2+]C[C@H](O)c3ccc(O)c(O)c3)C[C@@H]2C1 ZINC001254921736 947652675 /nfs/dbraw/zinc/65/26/75/947652675.db2.gz GIDNROBMUJWGLB-UVWXRNBGSA-N 1 0 291.347 1.479 20 10 CDCDRO Oc1cc(O)c(CC[NH2+]C2CCSCC2)cc1O ZINC001255080911 947720397 /nfs/dbraw/zinc/72/03/97/947720397.db2.gz HTEXDQWCTNCPDW-UHFFFAOYSA-N 1 0 269.366 1.831 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC001255733100 948085956 /nfs/dbraw/zinc/08/59/56/948085956.db2.gz LZZVAQXQDUBWQG-GHMZBOCLSA-N 1 0 293.319 1.552 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001249172457 949441605 /nfs/dbraw/zinc/44/16/05/949441605.db2.gz MTEOJDWBWCMPJK-OCCSQVGLSA-N 1 0 297.326 1.012 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H](O)COCc2ccco2)c1O ZINC001252657661 951544373 /nfs/dbraw/zinc/54/43/73/951544373.db2.gz CTNNUAPZFSVRAL-CQSZACIVSA-N 1 0 291.347 1.961 20 10 CDCDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001331287519 956946575 /nfs/dbraw/zinc/94/65/75/956946575.db2.gz IZWKDHRFTIGXCH-ZDUSSCGKSA-N 1 0 295.402 1.702 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001335490563 959840616 /nfs/dbraw/zinc/84/06/16/959840616.db2.gz HUSUNZRFIGSOHT-IAQYHMDHSA-N 1 0 288.395 1.551 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]([NH3+])Cc1ccccn1 ZINC001339973887 962662570 /nfs/dbraw/zinc/66/25/70/962662570.db2.gz HILMNLFYFXXCGJ-CQSZACIVSA-N 1 0 285.347 1.316 20 10 CDCDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001343567875 964043590 /nfs/dbraw/zinc/04/35/90/964043590.db2.gz UIXBJIYUVXYQNV-DZGCQCFKSA-N 1 0 261.369 1.793 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC001346527227 965157872 /nfs/dbraw/zinc/15/78/72/965157872.db2.gz UMOGBNORWRSYOB-YEORSEQZSA-N 1 0 276.384 1.586 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(N)n2)cc1 ZINC001349092707 966266515 /nfs/dbraw/zinc/26/65/15/966266515.db2.gz DWJGRBXOERHTLG-CYBMUJFWSA-N 1 0 299.378 1.160 20 10 CDCDRO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(N)cc1 ZINC001352788611 967481723 /nfs/dbraw/zinc/48/17/23/967481723.db2.gz FOQBOEOZCLNKHJ-UHFFFAOYSA-N 1 0 270.398 1.572 20 10 CDCDRO Nc1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1 ZINC001356083404 969328969 /nfs/dbraw/zinc/32/89/69/969328969.db2.gz ONJBWOQGSGCCBX-INIZCTEOSA-N 1 0 268.364 1.810 20 10 CDCDRO C[C@@H]1[C@H](C(=O)NCc2cccc(O)c2O)CC[N@@H+]1C ZINC001520508523 970193928 /nfs/dbraw/zinc/19/39/28/970193928.db2.gz DTAVPDRKMFUEFI-MWLCHTKSSA-N 1 0 264.325 1.054 20 10 CDCDRO C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001598663242 994631863 /nfs/dbraw/zinc/63/18/63/994631863.db2.gz CNVREPLMSIMESN-VHSXEESVSA-N 1 0 266.341 1.739 20 10 CDCDRO COCCOCCOCCC[NH2+]Cc1cc(C)ccc1O ZINC000274348294 365631343 /nfs/dbraw/zinc/63/13/43/365631343.db2.gz AMPDDGAXJQPODJ-UHFFFAOYSA-N 1 0 297.395 1.860 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1O ZINC000077450474 342330416 /nfs/dbraw/zinc/33/04/16/342330416.db2.gz MNFZGVKBQWEIMZ-UHFFFAOYSA-N 1 0 294.395 1.337 20 10 CDCDRO CC[C@@H](CO)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000295021625 199303836 /nfs/dbraw/zinc/30/38/36/199303836.db2.gz CHNKNFUYOPTJEY-JTQLQIEISA-N 1 0 253.298 1.324 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+](C2CC2)CC1 ZINC000179917315 357230976 /nfs/dbraw/zinc/23/09/76/357230976.db2.gz VPRUGPCBQBXEPT-UHFFFAOYSA-N 1 0 250.317 1.811 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CO)C2)cc1OC ZINC000179954131 357233918 /nfs/dbraw/zinc/23/39/18/357233918.db2.gz UANUXTBHTCZMAZ-JTQLQIEISA-N 1 0 267.325 1.224 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1OC ZINC000189965076 358046957 /nfs/dbraw/zinc/04/69/57/358046957.db2.gz GOGZXZJZMHLZBR-ZIAGYGMSSA-N 1 0 281.352 1.658 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)c1O ZINC000294006986 358555671 /nfs/dbraw/zinc/55/56/71/358555671.db2.gz TYQPEGWFSBBHLQ-JQWIXIFHSA-N 1 0 299.392 1.456 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000113334986 359395302 /nfs/dbraw/zinc/39/53/02/359395302.db2.gz IAQFIXUBKLVTQZ-UHFFFAOYSA-N 1 0 277.773 1.570 20 10 CDCDRO COc1cccc(CN2CCC[C@H]([NH+](C)C)C2)c1O ZINC000156071718 361713074 /nfs/dbraw/zinc/71/30/74/361713074.db2.gz MFISCGYBGUPEDU-ZDUSSCGKSA-N 1 0 264.369 1.927 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000282285955 367813260 /nfs/dbraw/zinc/81/32/60/367813260.db2.gz IQALSCJJMUMXKL-IINYFYTJSA-N 1 0 262.353 1.618 20 10 CDCDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(N)=O ZINC000282560799 367942717 /nfs/dbraw/zinc/94/27/17/367942717.db2.gz YLGDXABICHGMEZ-NSHDSACASA-N 1 0 250.342 1.868 20 10 CDCDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1O ZINC000288194392 369416018 /nfs/dbraw/zinc/41/60/18/369416018.db2.gz CFOJFPXTXGIAFJ-NWDGAFQWSA-N 1 0 290.363 1.797 20 10 CDCDRO COCCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000159962455 261200187 /nfs/dbraw/zinc/20/01/87/261200187.db2.gz TUEPNJKVMYJPMH-UHFFFAOYSA-N 1 0 269.341 1.878 20 10 CDCDRO C[NH+]1CCC(CCNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000294808147 371093162 /nfs/dbraw/zinc/09/31/62/371093162.db2.gz FQBPYKBWBCSGEP-UHFFFAOYSA-N 1 0 296.342 1.699 20 10 CDCDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000019965225 1172588201 /nfs/dbraw/zinc/58/82/01/1172588201.db2.gz ACKLPLHYIFQBGU-UHFFFAOYSA-N 1 0 294.351 1.808 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)cc1C ZINC000288535213 197105212 /nfs/dbraw/zinc/10/52/12/197105212.db2.gz KLLVXENRRBODRT-WCQYABFASA-N 1 0 283.393 1.526 20 10 CDCDRO CC[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000148120602 390954351 /nfs/dbraw/zinc/95/43/51/390954351.db2.gz HYRXCKZDAHDZIT-GQCTYLIASA-N 1 0 276.336 1.275 20 10 CDCDRO CN(C)c1ccc(C[N@H+](CC(N)=O)C(C)(C)C)cc1 ZINC000093759095 390904295 /nfs/dbraw/zinc/90/42/95/390904295.db2.gz UKOQSYNRWWSYEV-UHFFFAOYSA-N 1 0 263.385 1.838 20 10 CDCDRO Oc1ccc(F)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373468298 391120147 /nfs/dbraw/zinc/12/01/47/391120147.db2.gz UXNSLGIAMBHSHE-SNVBAGLBSA-N 1 0 251.301 2.000 20 10 CDCDRO CC[C@H]([NH2+][C@H](CCO)COC)c1ccccc1O ZINC000229556283 391137668 /nfs/dbraw/zinc/13/76/68/391137668.db2.gz LOMSFTVMJRKKBF-YPMHNXCESA-N 1 0 253.342 1.830 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1C ZINC000179573902 391211546 /nfs/dbraw/zinc/21/15/46/391211546.db2.gz XLHWHRMZUGUVFS-OAHLLOKOSA-N 1 0 279.380 1.982 20 10 CDCDRO COC[C@H](C[NH2+]Cc1cc(OC)ccc1O)OC ZINC000227717501 392046228 /nfs/dbraw/zinc/04/62/28/392046228.db2.gz MGSVMPQVCOZYGC-LBPRGKRZSA-N 1 0 255.314 1.152 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000050395133 287067629 /nfs/dbraw/zinc/06/76/29/287067629.db2.gz QMBKARQQPGIJMK-RISCZKNCSA-N 1 0 261.369 1.682 20 10 CDCDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363571 260094671 /nfs/dbraw/zinc/09/46/71/260094671.db2.gz IRYZOXRVOFPCAY-LBPRGKRZSA-N 1 0 257.337 1.996 20 10 CDCDRO C[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000127906498 260371403 /nfs/dbraw/zinc/37/14/03/260371403.db2.gz HCBWTYKHTIVRDZ-UHFFFAOYSA-N 1 0 260.131 1.579 20 10 CDCDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000181468619 261897922 /nfs/dbraw/zinc/89/79/22/261897922.db2.gz MEORGDDBQMVMBA-NSHDSACASA-N 1 0 277.368 1.854 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCOC2)c1 ZINC000186177582 262082913 /nfs/dbraw/zinc/08/29/13/262082913.db2.gz ZFWRFAQUJIQDOK-SMDDNHRTSA-N 1 0 251.326 1.503 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)[N@@H+]1CCC[C@H](C)C1 ZINC000186935625 262117425 /nfs/dbraw/zinc/11/74/25/262117425.db2.gz QWSHYBSFYSWEML-RYUDHWBXSA-N 1 0 292.379 1.948 20 10 CDCDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@H]1CC(=O)N(C)C1=O ZINC000282952322 276255503 /nfs/dbraw/zinc/25/55/03/276255503.db2.gz HIKMFQYNMZKESF-ZDUSSCGKSA-N 1 0 290.363 1.670 20 10 CDCDRO O=C(NCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccn[nH]1 ZINC000296292188 279843846 /nfs/dbraw/zinc/84/38/46/279843846.db2.gz DCRUYHFVPFMIEL-NSHDSACASA-N 1 0 286.335 1.122 20 10 CDCDRO COc1cccc(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC000156071591 328223828 /nfs/dbraw/zinc/22/38/28/328223828.db2.gz MFISCGYBGUPEDU-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO CCCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000091950206 327187882 /nfs/dbraw/zinc/18/78/82/327187882.db2.gz SZEWEXFDGIQZKA-UHFFFAOYSA-N 1 0 263.385 1.840 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000263774881 327518897 /nfs/dbraw/zinc/51/88/97/327518897.db2.gz UHKJVYCQXWCNFY-CQSZACIVSA-N 1 0 275.396 1.853 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377698887 329025680 /nfs/dbraw/zinc/02/56/80/329025680.db2.gz MXCOFCSOJJRKHZ-ZFWWWQNUSA-N 1 0 263.337 1.772 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000178712785 329202810 /nfs/dbraw/zinc/20/28/10/329202810.db2.gz GKWVDQVCCSHJSI-MRXNPFEDSA-N 1 0 293.386 1.851 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1C ZINC000078639138 330326972 /nfs/dbraw/zinc/32/69/72/330326972.db2.gz HEPYOOUWUYCBCO-NSHDSACASA-N 1 0 271.382 1.526 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000227216201 333278004 /nfs/dbraw/zinc/27/80/04/333278004.db2.gz OWXZOVQQKPCQJH-HNNXBMFYSA-N 1 0 267.369 1.881 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c1 ZINC000228064983 333294015 /nfs/dbraw/zinc/29/40/15/333294015.db2.gz VQDLSILAAOKLPF-FIXISWKDSA-N 1 0 281.352 1.591 20 10 CDCDRO C[NH2+]CCc1ccccc1C(=O)N1CCCn2nccc21 ZINC000576338873 335191141 /nfs/dbraw/zinc/19/11/41/335191141.db2.gz FRGICYRBLOCZNQ-UHFFFAOYSA-N 1 0 284.363 1.696 20 10 CDCDRO CC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278242727 521121018 /nfs/dbraw/zinc/12/10/18/521121018.db2.gz NZJPZXYXBAEROF-UHFFFAOYSA-N 1 0 270.285 1.123 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@]2(CCO)CCOC2)c(O)c1 ZINC000278520282 520374987 /nfs/dbraw/zinc/37/49/87/520374987.db2.gz RXNDVOCLEJNBIY-MRXNPFEDSA-N 1 0 295.379 1.812 20 10 CDCDRO CCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236887988 521115355 /nfs/dbraw/zinc/11/53/55/521115355.db2.gz QEKUPIBUGZMWTL-HNNXBMFYSA-N 1 0 291.395 1.267 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1 ZINC000278750623 521152420 /nfs/dbraw/zinc/15/24/20/521152420.db2.gz WGEZSXWWKBRLRT-NHYWBVRUSA-N 1 0 281.352 1.420 20 10 CDCDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000278460524 521652868 /nfs/dbraw/zinc/65/28/68/521652868.db2.gz MMQJMICFDIJKDB-XOMBGVMMSA-N 1 0 295.379 1.981 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292174186 523379422 /nfs/dbraw/zinc/37/94/22/523379422.db2.gz WHMKRHXKXWAQLG-ZDUSSCGKSA-N 1 0 262.353 1.883 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COCC(F)(F)F ZINC000293022975 523383208 /nfs/dbraw/zinc/38/32/08/523383208.db2.gz VNAUUKBYCDWQMV-LLVKDONJSA-N 1 0 293.285 1.764 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000289481550 523412373 /nfs/dbraw/zinc/41/23/73/523412373.db2.gz BXKAPHRGPXDDAA-TZMCWYRMSA-N 1 0 293.386 1.896 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3CC[NH2+]C3)ccc21 ZINC000237129115 523861186 /nfs/dbraw/zinc/86/11/86/523861186.db2.gz CCUVJBMOOJAFBF-AWEZNQCLSA-N 1 0 273.380 1.295 20 10 CDCDRO CNC(=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000044988818 524068951 /nfs/dbraw/zinc/06/89/51/524068951.db2.gz YJTKLDFHQOFCNH-UHFFFAOYSA-N 1 0 275.396 1.903 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1C ZINC000280249340 524071750 /nfs/dbraw/zinc/07/17/50/524071750.db2.gz ITDGDKVHLLSVQL-CABCVRRESA-N 1 0 279.380 1.738 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CC[NH+](C)CC1 ZINC000274944513 524893840 /nfs/dbraw/zinc/89/38/40/524893840.db2.gz QJPKOQFKQLZLMQ-NSHDSACASA-N 1 0 292.379 1.487 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1C ZINC000274951232 525318393 /nfs/dbraw/zinc/31/83/93/525318393.db2.gz SJKKRNINVUGOPU-UHFFFAOYSA-N 1 0 285.347 1.651 20 10 CDCDRO CCN1CCOC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000767162339 576163978 /nfs/dbraw/zinc/16/39/78/576163978.db2.gz ZAOOUJCZVZDNNJ-HNNXBMFYSA-N 1 0 291.395 1.090 20 10 CDCDRO CCOc1cccc(C[NH+]2CCC(OCCO)CC2)c1O ZINC000769536744 575357680 /nfs/dbraw/zinc/35/76/80/575357680.db2.gz DNMXCTOOHYTVCF-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO CCOC(=O)C1(C[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000770665543 575483305 /nfs/dbraw/zinc/48/33/05/575483305.db2.gz MHQRSGILQHNZLR-UHFFFAOYSA-N 1 0 279.336 1.834 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cccc(C)c2O)CCCOC1 ZINC000770674794 575484239 /nfs/dbraw/zinc/48/42/39/575484239.db2.gz MKEGMEQYFZGLCR-MRXNPFEDSA-N 1 0 293.363 1.903 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC000773766661 575838386 /nfs/dbraw/zinc/83/83/86/575838386.db2.gz CVMPLCYGMNMWIQ-LLVKDONJSA-N 1 0 292.379 1.629 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000765797250 576056907 /nfs/dbraw/zinc/05/69/07/576056907.db2.gz RBYQHCGCDHXZTD-VXGBXAGGSA-N 1 0 278.352 1.405 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCOC1 ZINC000768448095 576284198 /nfs/dbraw/zinc/28/41/98/576284198.db2.gz BKRVGTSVDVJQNL-GXFFZTMASA-N 1 0 265.309 1.039 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000768520387 576292276 /nfs/dbraw/zinc/29/22/76/576292276.db2.gz LGFGIOLRDHAZIR-CYBMUJFWSA-N 1 0 290.363 1.644 20 10 CDCDRO CCN(CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000769317291 576344993 /nfs/dbraw/zinc/34/49/93/576344993.db2.gz OMHWNQTZKYBIDS-UHFFFAOYSA-N 1 0 292.379 1.518 20 10 CDCDRO OCCCC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769395149 576351511 /nfs/dbraw/zinc/35/15/11/576351511.db2.gz NFZRVKLRGFNQMQ-UHFFFAOYSA-N 1 0 298.814 1.936 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1O ZINC000750040183 576973138 /nfs/dbraw/zinc/97/31/38/576973138.db2.gz UHCJVRNVLMZAID-RYUDHWBXSA-N 1 0 294.782 1.899 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(O)c1 ZINC000757927821 577061440 /nfs/dbraw/zinc/06/14/40/577061440.db2.gz LQSJUDATNDNMBQ-AWEZNQCLSA-N 1 0 292.379 1.307 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000759171821 577156838 /nfs/dbraw/zinc/15/68/38/577156838.db2.gz ASDCTSZDTGGGAE-GOEBONIOSA-N 1 0 277.364 1.905 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000932495796 617317554 /nfs/dbraw/zinc/31/75/54/617317554.db2.gz HNVYZZLIDRXMGL-AMIZOPFISA-N 1 0 267.300 1.858 20 10 CDCDRO O=C(C[NH+]1CCCC1)NCc1cccc(Cl)c1O ZINC000890760120 617320759 /nfs/dbraw/zinc/32/07/59/617320759.db2.gz IOJCXALPRVZBBU-UHFFFAOYSA-N 1 0 268.744 1.758 20 10 CDCDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000891998496 617398527 /nfs/dbraw/zinc/39/85/27/617398527.db2.gz GBVXXNZINBPBRB-NSHDSACASA-N 1 0 275.352 1.417 20 10 CDCDRO O=C(N[C@@H]1CCC[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000892016036 617410950 /nfs/dbraw/zinc/41/09/50/617410950.db2.gz SRJOQOZYILUZAG-LLVKDONJSA-N 1 0 261.325 1.169 20 10 CDCDRO COc1ccc(C[NH+]2CCC(O)CC2)c(O)c1OC ZINC000891491009 617440473 /nfs/dbraw/zinc/44/04/73/617440473.db2.gz JTYCRFQMYTXVCO-UHFFFAOYSA-N 1 0 267.325 1.366 20 10 CDCDRO CN(C)c1ccc(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1F ZINC000925530153 617460321 /nfs/dbraw/zinc/46/03/21/617460321.db2.gz OKEVKSHHHBKYCU-AVVLXZEZSA-N 1 0 289.398 1.978 20 10 CDCDRO C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccccc2O)C1 ZINC000892527084 617477834 /nfs/dbraw/zinc/47/78/34/617477834.db2.gz ICLDZIYVBQZRJV-GFCCVEGCSA-N 1 0 277.368 1.533 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCCNC2=O)c(O)c1OC ZINC000892545509 617493267 /nfs/dbraw/zinc/49/32/67/617493267.db2.gz ODUFGBVNAUZULZ-LLVKDONJSA-N 1 0 294.351 1.168 20 10 CDCDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892168520 617522022 /nfs/dbraw/zinc/52/20/22/617522022.db2.gz FBKIVRBOHZGKCZ-ZYHUDNBSSA-N 1 0 275.352 1.545 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1O ZINC000892266611 617613530 /nfs/dbraw/zinc/61/35/30/617613530.db2.gz CYVJZWLSGVLNJG-BXUZGUMPSA-N 1 0 289.379 1.895 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)c(O)c1OC ZINC000893612137 617669477 /nfs/dbraw/zinc/66/94/77/617669477.db2.gz NQZVXTYBPZHUJH-HNNXBMFYSA-N 1 0 297.351 1.305 20 10 CDCDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840951940 617739702 /nfs/dbraw/zinc/73/97/02/617739702.db2.gz OEEVUFDYLSICPK-KRWDZBQOSA-N 1 0 292.423 1.892 20 10 CDCDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841063977 618679548 /nfs/dbraw/zinc/67/95/48/618679548.db2.gz CYTJNBLIKSPARU-WMLDXEAASA-N 1 0 289.423 1.753 20 10 CDCDRO [NH3+]CC1(O)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000841107354 618683019 /nfs/dbraw/zinc/68/30/19/618683019.db2.gz GWVNDLFUWHJTDM-UHFFFAOYSA-N 1 0 270.760 1.331 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000894332933 618786604 /nfs/dbraw/zinc/78/66/04/618786604.db2.gz KIMXGOJKSSBMKF-WYRIXSBYSA-N 1 0 285.409 1.956 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1OC ZINC000894804761 619063233 /nfs/dbraw/zinc/06/32/33/619063233.db2.gz QIANSTBCGLQSLZ-HNNXBMFYSA-N 1 0 294.351 1.168 20 10 CDCDRO COc1cc(C)cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1O ZINC000894950648 619162000 /nfs/dbraw/zinc/16/20/00/619162000.db2.gz VGENTTXVKPNAAG-WCQYABFASA-N 1 0 265.353 1.912 20 10 CDCDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000895329338 619568762 /nfs/dbraw/zinc/56/87/62/619568762.db2.gz JEYBUOOTQXQHAS-YPMHNXCESA-N 1 0 271.744 1.363 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2COCC[C@H]2OC)c(O)c1OC ZINC000897889043 621194107 /nfs/dbraw/zinc/19/41/07/621194107.db2.gz MCZZZOSLBAXOIF-VXGBXAGGSA-N 1 0 297.351 1.303 20 10 CDCDRO CCN(CC)c1ccc(CNCC[NH2+]C)cc1F ZINC000841037304 621271619 /nfs/dbraw/zinc/27/16/19/621271619.db2.gz XMTPZQLKVMOATM-UHFFFAOYSA-N 1 0 253.365 1.981 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855892 621602800 /nfs/dbraw/zinc/60/28/00/621602800.db2.gz YXJXPCBFSHCJRK-OAHLLOKOSA-N 1 0 291.395 1.219 20 10 CDCDRO CC[C@H]([NH3+])C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000841071671 623770089 /nfs/dbraw/zinc/77/00/89/623770089.db2.gz HZYBWEOGOTUFAS-ZDUSSCGKSA-N 1 0 277.412 1.991 20 10 CDCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910955476 629117667 /nfs/dbraw/zinc/11/76/67/629117667.db2.gz FXIWHKSHHSZKBN-CYBMUJFWSA-N 1 0 292.379 1.836 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)CC[S@@](C)=O)c(O)c1 ZINC000877090656 630612240 /nfs/dbraw/zinc/61/22/40/630612240.db2.gz WXBLEQULVJAUOU-PIGZYNQJSA-N 1 0 255.383 1.947 20 10 CDCDRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC000925431607 632096760 /nfs/dbraw/zinc/09/67/60/632096760.db2.gz XSTKOBYVXJVCOO-NSHDSACASA-N 1 0 283.759 1.549 20 10 CDCDRO Oc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1O ZINC000041116813 1158527974 /nfs/dbraw/zinc/52/79/74/1158527974.db2.gz QQUJEZVLLQSGMH-CQSZACIVSA-N 1 0 259.305 1.921 20 10 CDCDRO CC[C@@H](F)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001132439813 1163295071 /nfs/dbraw/zinc/29/50/71/1163295071.db2.gz MAXQFLGPGNEYKZ-CYBMUJFWSA-N 1 0 282.359 1.958 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCS(C)(=O)=O ZINC000037740554 1165788175 /nfs/dbraw/zinc/78/81/75/1165788175.db2.gz GSCDFOMLJNAJLA-QWRGUYRKSA-N 1 0 283.393 1.883 20 10 CDCDRO O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001580570332 1172471141 /nfs/dbraw/zinc/47/11/41/1172471141.db2.gz YYAWFRQUDUCWGS-INIZCTEOSA-N 1 0 290.363 1.242 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCN(C)[C@H](C)C2)c1O ZINC000133900406 1175809241 /nfs/dbraw/zinc/80/92/41/1175809241.db2.gz PYXLPQGYAHWMIX-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc(N)cc2)C1 ZINC000841848119 758874832 /nfs/dbraw/zinc/87/48/32/758874832.db2.gz VOBUHFARUVSFSV-SMDDNHRTSA-N 1 0 261.369 1.316 20 10 CDCDRO C[NH+](C)CC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000837239141 758875432 /nfs/dbraw/zinc/87/54/32/758875432.db2.gz KZGSDRGMYICGEV-SOFGYWHQSA-N 1 0 278.352 1.567 20 10 CDCDRO Cc1ccc(C[NH2+]CCC(=O)N2CCOCC2)c(O)c1 ZINC000876953834 758891055 /nfs/dbraw/zinc/89/10/55/758891055.db2.gz CLVZTLGUNQRYFZ-UHFFFAOYSA-N 1 0 278.352 1.039 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000851656006 758923340 /nfs/dbraw/zinc/92/33/40/758923340.db2.gz BJHCAPFTHKNIAG-UHFFFAOYSA-N 1 0 292.427 1.940 20 10 CDCDRO CON1CCC([N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000835076352 759016116 /nfs/dbraw/zinc/01/61/16/759016116.db2.gz OEARRNHIGYJISG-UHFFFAOYSA-N 1 0 268.332 1.989 20 10 CDCDRO CCOc1ccc(CN(C)[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000843049570 759033967 /nfs/dbraw/zinc/03/39/67/759033967.db2.gz QOMSOIRKMMKHQB-GFCCVEGCSA-N 1 0 250.342 1.585 20 10 CDCDRO c1cn(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000041063269 768837227 /nfs/dbraw/zinc/83/72/27/768837227.db2.gz VFMDEVZOUFJABQ-UHFFFAOYSA-N 1 0 286.379 1.510 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1c(C)cccc1O ZINC000877005576 768841356 /nfs/dbraw/zinc/84/13/56/768841356.db2.gz ICUXFUSLLQGPQP-UHFFFAOYSA-N 1 0 257.355 1.225 20 10 CDCDRO O=C(NCc1ccccc1O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000228422573 768845182 /nfs/dbraw/zinc/84/51/82/768845182.db2.gz JBCVTKLTPRTOHW-LBPRGKRZSA-N 1 0 288.269 1.550 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000841946107 768980125 /nfs/dbraw/zinc/98/01/25/768980125.db2.gz GHLRDBBVKGOFSM-TVQRCGJNSA-N 1 0 293.367 1.498 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cccc(C)c2O)C1 ZINC000843434109 769027138 /nfs/dbraw/zinc/02/71/38/769027138.db2.gz HTSCBRAVPCBCCE-CHWSQXEVSA-N 1 0 279.336 1.056 20 10 CDCDRO COc1cc(O)c(CN2CCC([NH+](C)C)CC2)cc1OC ZINC000179727682 769077021 /nfs/dbraw/zinc/07/70/21/769077021.db2.gz RPHRKCJWFFWJOQ-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000806636040 769283056 /nfs/dbraw/zinc/28/30/56/769283056.db2.gz YZFNLEHPFHLEMH-NSHDSACASA-N 1 0 296.390 1.641 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000844166956 769336890 /nfs/dbraw/zinc/33/68/90/769336890.db2.gz VQSVDXNLZUWTFT-OAHLLOKOSA-N 1 0 291.395 1.137 20 10 CDCDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)O ZINC000877568228 769475231 /nfs/dbraw/zinc/47/52/31/769475231.db2.gz HXOJFPPIRMORDN-GUYCJALGSA-N 1 0 292.423 1.897 20 10 CDCDRO CC[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000846860665 769762049 /nfs/dbraw/zinc/76/20/49/769762049.db2.gz LMNVHKKTKHGDBT-CZUORRHYSA-N 1 0 279.428 1.716 20 10 CDCDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1[O-] ZINC000841078460 769804294 /nfs/dbraw/zinc/80/42/94/769804294.db2.gz RNFQVCSHXWJWHL-JZYVYDRUSA-N 1 0 283.715 1.261 20 10 CDCDRO CN1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000310395399 769910724 /nfs/dbraw/zinc/91/07/24/769910724.db2.gz LWPGMBJWIHPMBJ-JTQLQIEISA-N 1 0 254.717 1.366 20 10 CDCDRO COc1ccc(O)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000843066398 770045102 /nfs/dbraw/zinc/04/51/02/770045102.db2.gz WKAYLHUGPYFKJT-PHIMTYICSA-N 1 0 250.342 1.583 20 10 CDCDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877345219 770057245 /nfs/dbraw/zinc/05/72/45/770057245.db2.gz YGIKGFZSVPCZMH-HIFRSBDPSA-N 1 0 265.353 1.984 20 10 CDCDRO CCOc1ccc(C[N@H+](C)C[C@H](O)C2CC2)c(O)c1 ZINC000809752177 770321387 /nfs/dbraw/zinc/32/13/87/770321387.db2.gz OUZRXDFAEWBTHA-HNNXBMFYSA-N 1 0 265.353 1.994 20 10 CDCDRO Oc1ccccc1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865441007 770325183 /nfs/dbraw/zinc/32/51/83/770325183.db2.gz ADXAVPDGGUCLDR-CQSZACIVSA-N 1 0 288.351 1.453 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1 ZINC000817413526 770388943 /nfs/dbraw/zinc/38/89/43/770388943.db2.gz YSIAUBNGFMHLDU-CYBMUJFWSA-N 1 0 265.353 1.672 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c1O ZINC000848890192 770392508 /nfs/dbraw/zinc/39/25/08/770392508.db2.gz PUTWGJWVKSJTCI-SMDDNHRTSA-N 1 0 265.353 1.536 20 10 CDCDRO CCc1cccc(C[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000848919376 770567772 /nfs/dbraw/zinc/56/77/72/770567772.db2.gz XDROTGOFVVAEGV-MRXNPFEDSA-N 1 0 279.380 1.976 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000794839099 770828182 /nfs/dbraw/zinc/82/81/82/770828182.db2.gz YRAXGWCPHAVCAY-PSASIEDQSA-N 1 0 259.733 1.704 20 10 CDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000827901516 770861702 /nfs/dbraw/zinc/86/17/02/770861702.db2.gz OUYZXCBDIXKRIS-ZYHUDNBSSA-N 1 0 279.359 1.506 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c(O)c1 ZINC000877437051 770884000 /nfs/dbraw/zinc/88/40/00/770884000.db2.gz UEXIIDUHKLCDNO-WCQYABFASA-N 1 0 262.353 1.786 20 10 CDCDRO Oc1cc(Br)ccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000826099634 771034999 /nfs/dbraw/zinc/03/49/99/771034999.db2.gz FPOLDNZZEPQRHO-AOOOYVTPSA-N 1 0 272.142 1.768 20 10 CDCDRO C[C@@H](CCO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000097439820 771063708 /nfs/dbraw/zinc/06/37/08/771063708.db2.gz GLUKKPGDARKFNJ-AWEZNQCLSA-N 1 0 278.396 1.631 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCCOC2)cc1 ZINC000832278909 771106567 /nfs/dbraw/zinc/10/65/67/771106567.db2.gz GDORTVISYXGSJU-ZFWWWQNUSA-N 1 0 291.395 1.295 20 10 CDCDRO CCCN(Cc1cc2c(cc1O)OCO2)[C@@H]1CC[NH2+]C1 ZINC000843052952 771191193 /nfs/dbraw/zinc/19/11/93/771191193.db2.gz QFJBUERZXILCSZ-GFCCVEGCSA-N 1 0 278.352 1.695 20 10 CDCDRO CC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000128980398 771281809 /nfs/dbraw/zinc/28/18/09/771281809.db2.gz SDDCEMAWQPQJCZ-INIZCTEOSA-N 1 0 275.396 1.901 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(Cl)cc1O ZINC000858606126 771332083 /nfs/dbraw/zinc/33/20/83/771332083.db2.gz ICHXAOXHVZQDCR-JQWIXIFHSA-N 1 0 284.787 1.763 20 10 CDCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000180870042 771337660 /nfs/dbraw/zinc/33/76/60/771337660.db2.gz TWSIMHDGCLABGH-ZJUUUORDSA-N 1 0 265.309 1.324 20 10 CDCDRO C[C@H](NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841880855 771376252 /nfs/dbraw/zinc/37/62/52/771376252.db2.gz IYEJIQUIZRXLRR-TYNCELHUSA-N 1 0 290.411 1.802 20 10 CDCDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000824709325 771467662 /nfs/dbraw/zinc/46/76/62/771467662.db2.gz PADLGEAHQPRRQI-TZMCWYRMSA-N 1 0 251.326 1.533 20 10 CDCDRO O[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000305720138 771491077 /nfs/dbraw/zinc/49/10/77/771491077.db2.gz AHVHKNAQZMQPDH-INIZCTEOSA-N 1 0 276.380 1.480 20 10 CDCDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCC(=O)NC1=O ZINC000801599346 771522871 /nfs/dbraw/zinc/52/28/71/771522871.db2.gz KQTDFPHZWRXUCH-ZDUSSCGKSA-N 1 0 290.363 1.800 20 10 CDCDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000779217186 771526505 /nfs/dbraw/zinc/52/65/05/771526505.db2.gz QNRVUKGVZZBBEV-KRWDZBQOSA-N 1 0 290.407 1.870 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1ccccc1O ZINC000877255961 771603800 /nfs/dbraw/zinc/60/38/00/771603800.db2.gz LFBOZOWYTFGUJE-NEPJUHHUSA-N 1 0 262.353 1.959 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000848426752 771714040 /nfs/dbraw/zinc/71/40/40/771714040.db2.gz FXANICSNTCQUDK-JSGCOSHPSA-N 1 0 292.379 1.508 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000788269006 771798752 /nfs/dbraw/zinc/79/87/52/771798752.db2.gz KCLGKVDJDZLQNF-CJNGLKHVSA-N 1 0 276.380 1.478 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000877558533 771804005 /nfs/dbraw/zinc/80/40/05/771804005.db2.gz JPHCHNRZSFFOGL-AWEZNQCLSA-N 1 0 278.396 1.637 20 10 CDCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1cnnc1 ZINC000118979726 771814925 /nfs/dbraw/zinc/81/49/25/771814925.db2.gz AZLUPONVHVGQTF-UHFFFAOYSA-N 1 0 287.367 1.204 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1OC ZINC000825104023 771824863 /nfs/dbraw/zinc/82/48/63/771824863.db2.gz KSFLYWPDCPEHPW-MWLCHTKSSA-N 1 0 267.325 1.365 20 10 CDCDRO OC1(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000397644977 771856550 /nfs/dbraw/zinc/85/65/50/771856550.db2.gz UDMNPUHPMVIDKT-UHFFFAOYSA-N 1 0 290.407 1.918 20 10 CDCDRO CC[C@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1O ZINC000119123422 771858994 /nfs/dbraw/zinc/85/89/94/771858994.db2.gz VXUUGYCEFAWNFS-ZDUSSCGKSA-N 1 0 262.353 1.959 20 10 CDCDRO CN(C)c1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1F ZINC000817898807 771859781 /nfs/dbraw/zinc/85/97/81/771859781.db2.gz BGOIVNVAAANTTP-OLZOCXBDSA-N 1 0 251.349 1.861 20 10 CDCDRO O=C1CC2(CN1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000272223523 771869959 /nfs/dbraw/zinc/86/99/59/771869959.db2.gz CIOIPADKGIECNS-UHFFFAOYSA-N 1 0 278.327 1.633 20 10 CDCDRO COc1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)c(O)c1 ZINC000849024834 771892778 /nfs/dbraw/zinc/89/27/78/771892778.db2.gz BLQHQWWKPJXQPV-GFCCVEGCSA-N 1 0 279.340 1.194 20 10 CDCDRO CCC[NH2+]CCNCc1cc(OCC)ccc1O ZINC000841046801 771968558 /nfs/dbraw/zinc/96/85/58/771968558.db2.gz NRCSBXOYWISMML-UHFFFAOYSA-N 1 0 252.358 1.880 20 10 CDCDRO CCOc1cccc(C[NH2+]C2CC[NH2+]CC2)c1O ZINC000841026449 771984486 /nfs/dbraw/zinc/98/44/86/771984486.db2.gz CFLOOXIOVOVONH-UHFFFAOYSA-N 1 0 250.342 1.633 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)[NH3+])c1 ZINC000828666158 771988811 /nfs/dbraw/zinc/98/88/11/771988811.db2.gz ATAQORDWBOPCAP-RKDXNWHRSA-N 1 0 252.314 1.315 20 10 CDCDRO C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](CO)O1 ZINC000787417110 771997490 /nfs/dbraw/zinc/99/74/90/771997490.db2.gz IXWOVEGNEAZELJ-AAEUAGOBSA-N 1 0 282.359 1.473 20 10 CDCDRO COCCCn1nccc1C[NH2+]CCc1ccc(N)cc1 ZINC000841038277 772045063 /nfs/dbraw/zinc/04/50/63/772045063.db2.gz IMOUQDROTFEWSA-UHFFFAOYSA-N 1 0 288.395 1.834 20 10 CDCDRO CNC(=O)CCC[N@H+](C)Cc1c(C)cccc1O ZINC000876773650 772074057 /nfs/dbraw/zinc/07/40/57/772074057.db2.gz DCDGDSPPTLLAEV-UHFFFAOYSA-N 1 0 250.342 1.659 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000382568230 772096291 /nfs/dbraw/zinc/09/62/91/772096291.db2.gz OXWZXBQWGHHBON-SMDDNHRTSA-N 1 0 251.326 1.367 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCCN(C(N)=O)CC2)cc1Cl ZINC000824650154 772132881 /nfs/dbraw/zinc/13/28/81/772132881.db2.gz MAFYTWNFFSGSTE-UHFFFAOYSA-N 1 0 297.786 1.940 20 10 CDCDRO CCOC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775835139 772154782 /nfs/dbraw/zinc/15/47/82/772154782.db2.gz RVKLPMRJWGCSQQ-MLGOLLRUSA-N 1 0 294.395 1.717 20 10 CDCDRO CN(C)CC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000308613545 772211710 /nfs/dbraw/zinc/21/17/10/772211710.db2.gz LNNFLDNIVXUUAE-UHFFFAOYSA-N 1 0 266.341 1.551 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1 ZINC000876739344 772214023 /nfs/dbraw/zinc/21/40/23/772214023.db2.gz OWBNBNPPAVWTLB-VXGBXAGGSA-N 1 0 285.409 1.954 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c(O)c1 ZINC000704337400 772303983 /nfs/dbraw/zinc/30/39/83/772303983.db2.gz DDXCDMKZVXFMGU-DGCLKSJQSA-N 1 0 262.353 1.972 20 10 CDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1=CC(=O)CS1 ZINC000817770160 772360214 /nfs/dbraw/zinc/36/02/14/772360214.db2.gz GFWDXNAZUSWXHN-VIFPVBQESA-N 1 0 254.355 1.620 20 10 CDCDRO CCOC(=O)[C@H]1CN(Cc2cc(OC)ccc2O)CCO1 ZINC000775711651 772423995 /nfs/dbraw/zinc/42/39/95/772423995.db2.gz DVISXUWJUFCLBW-CQSZACIVSA-N 1 0 295.335 1.165 20 10 CDCDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1CC1CC1 ZINC000883396813 772464388 /nfs/dbraw/zinc/46/43/88/772464388.db2.gz XJKWLFVADCGRQW-ZIAGYGMSSA-N 1 0 286.375 1.980 20 10 CDCDRO COc1cccc(O)c1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000817417472 772488313 /nfs/dbraw/zinc/48/83/13/772488313.db2.gz NNNFUNZGQSYZIV-LBPRGKRZSA-N 1 0 264.369 1.927 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841955639 772494155 /nfs/dbraw/zinc/49/41/55/772494155.db2.gz ITVQOSVHDLJPJC-OAHLLOKOSA-N 1 0 290.411 1.547 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000841656248 772500693 /nfs/dbraw/zinc/50/06/93/772500693.db2.gz YGVCDGMROLCYSE-ZDUSSCGKSA-N 1 0 276.384 1.385 20 10 CDCDRO FCCOCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000702633916 772503260 /nfs/dbraw/zinc/50/32/60/772503260.db2.gz XCQUEKVDCIHWLI-UHFFFAOYSA-N 1 0 282.359 1.599 20 10 CDCDRO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237541693 772509114 /nfs/dbraw/zinc/50/91/14/772509114.db2.gz NTJPDIPSCKHVOQ-LBPRGKRZSA-N 1 0 291.395 1.438 20 10 CDCDRO CC(C)(C)[C@H](CN)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841087647 772520740 /nfs/dbraw/zinc/52/07/40/772520740.db2.gz PFAAMOMMQTYWQF-ZDUSSCGKSA-N 1 0 266.341 1.584 20 10 CDCDRO CO[C@@H](C)CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832285766 772523111 /nfs/dbraw/zinc/52/31/11/772523111.db2.gz UCYHNZRDJYDZIE-SWLSCSKDSA-N 1 0 293.411 1.684 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000846168246 772535449 /nfs/dbraw/zinc/53/54/49/772535449.db2.gz IYMYYQBAPBLUST-BMIGLBTASA-N 1 0 278.352 1.720 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)cc1C ZINC000824559561 772536367 /nfs/dbraw/zinc/53/63/67/772536367.db2.gz VMCNKARQZUXDOM-INIZCTEOSA-N 1 0 292.423 1.940 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])CC(F)F)c1 ZINC000828666693 772566583 /nfs/dbraw/zinc/56/65/83/772566583.db2.gz HNWOQRLJTUOSCX-OIBJUYFYSA-N 1 0 288.294 1.561 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841762359 772574074 /nfs/dbraw/zinc/57/40/74/772574074.db2.gz WPUQWBGNZJTPCK-LLVKDONJSA-N 1 0 296.390 1.689 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)[NH3+])C2)cc1 ZINC000819930273 772588270 /nfs/dbraw/zinc/58/82/70/772588270.db2.gz CJJUBFHNMSJDBY-LBPRGKRZSA-N 1 0 291.395 1.375 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000862552072 772599835 /nfs/dbraw/zinc/59/98/35/772599835.db2.gz SKOMUARLIDMPEO-INIZCTEOSA-N 1 0 277.412 1.217 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC(=O)O2)cc1 ZINC000852211527 772642129 /nfs/dbraw/zinc/64/21/29/772642129.db2.gz MJUIAYWBINCTRY-HNNXBMFYSA-N 1 0 292.379 1.769 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)CC1=O ZINC000846169768 772755726 /nfs/dbraw/zinc/75/57/26/772755726.db2.gz TWMYBRYFDHFCPL-MNOVXSKESA-N 1 0 278.352 1.672 20 10 CDCDRO CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000112119316 772798138 /nfs/dbraw/zinc/79/81/38/772798138.db2.gz VMDYFFBSLIXCQC-UHFFFAOYSA-N 1 0 275.396 1.271 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000841653920 772798225 /nfs/dbraw/zinc/79/82/25/772798225.db2.gz KTBKPURTTPCXBV-CHWSQXEVSA-N 1 0 290.411 1.644 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862427764 772806837 /nfs/dbraw/zinc/80/68/37/772806837.db2.gz GDRGWQLAPSGYGZ-CYBMUJFWSA-N 1 0 262.353 1.753 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1 ZINC000878983900 772814398 /nfs/dbraw/zinc/81/43/98/772814398.db2.gz OEEXECLFYZPGNG-CVEARBPZSA-N 1 0 278.396 1.460 20 10 CDCDRO NC(=O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000159469142 772823467 /nfs/dbraw/zinc/82/34/67/772823467.db2.gz AEYIKQQYRLEWGG-UHFFFAOYSA-N 1 0 288.391 1.968 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](COC)OC)c1 ZINC000781416895 772861531 /nfs/dbraw/zinc/86/15/31/772861531.db2.gz SOUMPJGQOAOBRH-CYBMUJFWSA-N 1 0 269.341 1.542 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c1O ZINC000848908787 772955360 /nfs/dbraw/zinc/95/53/60/772955360.db2.gz DIBQETOPNJCFOP-CYBMUJFWSA-N 1 0 283.393 1.574 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000843434075 772957321 /nfs/dbraw/zinc/95/73/21/772957321.db2.gz HILLEPDRPNYLKJ-PWSUYJOCSA-N 1 0 299.754 1.401 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000862531209 772979222 /nfs/dbraw/zinc/97/92/22/772979222.db2.gz DEICZUMABCRWDA-CQSZACIVSA-N 1 0 264.369 1.111 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000846137635 772986830 /nfs/dbraw/zinc/98/68/30/772986830.db2.gz VGFXOSNGYDPMBP-MNOVXSKESA-N 1 0 299.392 1.486 20 10 CDCDRO CON(C)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922247124 773042183 /nfs/dbraw/zinc/04/21/83/773042183.db2.gz QIYXALMUWKEENJ-UHFFFAOYSA-N 1 0 250.342 1.594 20 10 CDCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000228067958 773075073 /nfs/dbraw/zinc/07/50/73/773075073.db2.gz PDOQTSNHYNCBNU-ZIAGYGMSSA-N 1 0 278.396 1.772 20 10 CDCDRO CN(C)c1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000094570179 773084562 /nfs/dbraw/zinc/08/45/62/773084562.db2.gz ULLYAPVWCRNCHD-UHFFFAOYSA-N 1 0 273.336 1.734 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NCCC1CC[NH2+]CC1 ZINC000846210752 773107787 /nfs/dbraw/zinc/10/77/87/773107787.db2.gz PFGAOXKYCJKNKS-UHFFFAOYSA-N 1 0 291.395 1.923 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933303 773120786 /nfs/dbraw/zinc/12/07/86/773120786.db2.gz BSQUMLPQVQZEMR-INIZCTEOSA-N 1 0 280.412 1.938 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)c(O)c1 ZINC000818000218 773126696 /nfs/dbraw/zinc/12/66/96/773126696.db2.gz KVIFMGXUCPNJLM-AWEZNQCLSA-N 1 0 292.379 1.795 20 10 CDCDRO CCN(CC[NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000861568271 773222103 /nfs/dbraw/zinc/22/21/03/773222103.db2.gz SEYLWNZYGYDQKD-UHFFFAOYSA-N 1 0 290.411 1.559 20 10 CDCDRO C[NH2+]CCNCc1cc(Br)cc(C)c1O ZINC000841037319 773363852 /nfs/dbraw/zinc/36/38/52/773363852.db2.gz YIJQEDQMJFYMGQ-UHFFFAOYSA-N 1 0 273.174 1.772 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000858598394 773395061 /nfs/dbraw/zinc/39/50/61/773395061.db2.gz DRINWWGKOVDHNW-DLBZAZTESA-N 1 0 291.439 1.860 20 10 CDCDRO Cc1cc(C[N@@H+](C)CCNC(=O)N(C)C)ccc1N(C)C ZINC000815081038 773537572 /nfs/dbraw/zinc/53/75/72/773537572.db2.gz QCHGBLLUVYWWDJ-UHFFFAOYSA-N 1 0 292.427 1.764 20 10 CDCDRO Oc1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873216001 773560003 /nfs/dbraw/zinc/56/00/03/773560003.db2.gz HUDLZLXJMNQZBH-TXEJJXNPSA-N 1 0 252.745 1.982 20 10 CDCDRO COc1ccc(O)c(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000114592008 773597824 /nfs/dbraw/zinc/59/78/24/773597824.db2.gz YMGWMKNHIYHDQX-GFCCVEGCSA-N 1 0 293.367 1.294 20 10 CDCDRO Oc1ccccc1C[NH2+]CCc1nnc2ccccn21 ZINC000020128193 773667613 /nfs/dbraw/zinc/66/76/13/773667613.db2.gz PZEJWNWILUPSLK-UHFFFAOYSA-N 1 0 268.320 1.767 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000851658963 773713010 /nfs/dbraw/zinc/71/30/10/773713010.db2.gz JFIFHBCACMXUGV-VXGBXAGGSA-N 1 0 278.400 1.721 20 10 CDCDRO O=CN1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000827872284 773719870 /nfs/dbraw/zinc/71/98/70/773719870.db2.gz TYFHMHKIPPWQEN-UHFFFAOYSA-N 1 0 252.289 1.195 20 10 CDCDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486073 912819967 /nfs/dbraw/zinc/81/99/67/912819967.db2.gz XCKIMWLNVQUURS-LBPRGKRZSA-N 1 0 280.368 1.720 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)CSC)cc1C ZINC001123173080 914220761 /nfs/dbraw/zinc/22/07/61/914220761.db2.gz QIWIFDPNZBEPFW-UHFFFAOYSA-N 1 0 282.409 1.572 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](F)[C@@H](O)C3)ccc21 ZINC001141141184 899779168 /nfs/dbraw/zinc/77/91/68/899779168.db2.gz VXQOTAJXWQVYJZ-OCCSQVGLSA-N 1 0 280.343 1.420 20 10 CDCDRO COC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000067254500 914448311 /nfs/dbraw/zinc/44/83/11/914448311.db2.gz MUNGWOYTBFDRNT-UHFFFAOYSA-N 1 0 290.363 1.942 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCO1 ZINC001168087890 906883335 /nfs/dbraw/zinc/88/33/35/906883335.db2.gz NVKLUGWPKGLFLX-KOLCDFICSA-N 1 0 265.309 1.438 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1O ZINC000780950960 908068987 /nfs/dbraw/zinc/06/89/87/908068987.db2.gz PIOSHTHSUHKIJW-QWRGUYRKSA-N 1 0 278.352 1.619 20 10 CDCDRO O=C1CC[C@H]2C[C@H]([NH2+]Cc3ccc(O)c(O)c3)CCN12 ZINC001172158401 911388854 /nfs/dbraw/zinc/38/88/54/911388854.db2.gz VBRFETIQLIUOLZ-NEPJUHHUSA-N 1 0 276.336 1.341 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1 ZINC001206404044 916044435 /nfs/dbraw/zinc/04/44/35/916044435.db2.gz KEJAUTOQSQYUQS-QWHCGFSZSA-N 1 0 251.349 1.624 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC001236784693 916400580 /nfs/dbraw/zinc/40/05/80/916400580.db2.gz YLSRWTUBFQLWEP-ZDUSSCGKSA-N 1 0 251.326 1.148 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1Cl ZINC001206433137 916654435 /nfs/dbraw/zinc/65/44/35/916654435.db2.gz DFDZCVWRVPLGSF-VHSXEESVSA-N 1 0 288.750 1.925 20 10 CDCDRO [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001137833163 936417840 /nfs/dbraw/zinc/41/78/40/936417840.db2.gz VPYAYUNYZCYROT-DGCLKSJQSA-N 1 0 257.280 1.826 20 10 CDCDRO COC(=O)[C@H](C)N(C)Cc1cc(OC)cc(OC)c1O ZINC001237677673 917545228 /nfs/dbraw/zinc/54/52/28/917545228.db2.gz GXHKAOSJXINXPT-VIFPVBQESA-N 1 0 283.324 1.403 20 10 CDCDRO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]([NH+](C)C)C2)c(O)c1 ZINC001183379349 918487810 /nfs/dbraw/zinc/48/78/10/918487810.db2.gz HTOWLOPQMSXLNX-BETUJISGSA-N 1 0 276.380 1.965 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001203584567 918954198 /nfs/dbraw/zinc/95/41/98/918954198.db2.gz DOXXJWKDHHJDMZ-XHDPSFHLSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499012 936543222 /nfs/dbraw/zinc/54/32/22/936543222.db2.gz SJRPJEPHLYPEJI-YOEHRIQHSA-N 1 0 290.407 1.868 20 10 CDCDRO COc1cc(CN2CCC2)cc(C[NH+](C)C)c1O ZINC001139253559 936611963 /nfs/dbraw/zinc/61/19/63/936611963.db2.gz YCWTWFPMQCWYDN-UHFFFAOYSA-N 1 0 250.342 1.668 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)ccc1N(C)C ZINC001139669953 936634640 /nfs/dbraw/zinc/63/46/40/936634640.db2.gz RDQWFJGVPSZXBX-SJORKVTESA-N 1 0 292.423 1.626 20 10 CDCDRO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC001140056471 936675229 /nfs/dbraw/zinc/67/52/29/936675229.db2.gz YDTHGEQOGJVHFW-RISCZKNCSA-N 1 0 292.354 1.974 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN3CCC(=O)C3)cc2)CC1 ZINC001140304021 936699652 /nfs/dbraw/zinc/69/96/52/936699652.db2.gz DYOIPIHOHCIQBE-UHFFFAOYSA-N 1 0 287.407 1.603 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC001140342093 936703462 /nfs/dbraw/zinc/70/34/62/936703462.db2.gz UKYJTHLFUMUCRI-CYBMUJFWSA-N 1 0 299.754 1.810 20 10 CDCDRO C[C@]1(CO)C[N@H+](Cc2c([O-])cc(F)cc2F)CC[C@@H]1O ZINC001140582870 936727136 /nfs/dbraw/zinc/72/71/36/936727136.db2.gz OHBUBKKRJYRBII-UONOGXRCSA-N 1 0 287.306 1.236 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1O ZINC001140744099 936748512 /nfs/dbraw/zinc/74/85/12/936748512.db2.gz LYWZCMOGIBRESC-BMIGLBTASA-N 1 0 265.353 1.999 20 10 CDCDRO Cc1c(O)ccc(CN2CC([NH+]3CCCC3)C2)c1O ZINC001140746451 936748777 /nfs/dbraw/zinc/74/87/77/936748777.db2.gz ZVCMXUHARJJLNY-UHFFFAOYSA-N 1 0 262.353 1.686 20 10 CDCDRO CN(C)C(=O)C1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143976 936819480 /nfs/dbraw/zinc/81/94/80/936819480.db2.gz QOXYMMGRECXYDQ-UHFFFAOYSA-N 1 0 289.379 1.035 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1 ZINC001141156927 936821471 /nfs/dbraw/zinc/82/14/71/936821471.db2.gz YAAMZTLUKOGBJE-CQSZACIVSA-N 1 0 269.316 1.784 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCC1(F)F ZINC001141155953 936821499 /nfs/dbraw/zinc/82/14/99/936821499.db2.gz BVOCJOGIKIDJBE-SNVBAGLBSA-N 1 0 273.279 1.547 20 10 CDCDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160677 936823091 /nfs/dbraw/zinc/82/30/91/936823091.db2.gz GZXONVIMFHSBKW-CYBMUJFWSA-N 1 0 251.326 1.833 20 10 CDCDRO COc1cc(C(=O)N(C(C)C)C(C)(C)C[NH3+])cc(O)c1O ZINC001193132473 923478083 /nfs/dbraw/zinc/47/80/83/923478083.db2.gz REFPYCFQUVWZQZ-UHFFFAOYSA-N 1 0 296.367 1.694 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1OC ZINC000843433008 923591010 /nfs/dbraw/zinc/59/10/10/923591010.db2.gz UDQLIOGSLCWFAA-ONGXEEELSA-N 1 0 267.325 1.676 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)cc1 ZINC001203929959 925629968 /nfs/dbraw/zinc/62/99/68/925629968.db2.gz LOTVZWLDZCCECP-UONOGXRCSA-N 1 0 266.360 1.905 20 10 CDCDRO C[C@H](NC(=O)NCC1([NH3+])CCC1)c1ccc(N(C)C)cc1 ZINC000841883238 937020790 /nfs/dbraw/zinc/02/07/90/937020790.db2.gz UAPFQVATEUDPRN-LBPRGKRZSA-N 1 0 290.411 1.994 20 10 CDCDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001150120359 937218974 /nfs/dbraw/zinc/21/89/74/937218974.db2.gz WPWMTYBKTGPPST-GWCFXTLKSA-N 1 0 290.363 1.239 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](CC)C(=O)NC)c1O ZINC000697827783 937286567 /nfs/dbraw/zinc/28/65/67/937286567.db2.gz MNARCCZUVVGGBN-LBPRGKRZSA-N 1 0 250.342 1.569 20 10 CDCDRO COc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000787450431 929374269 /nfs/dbraw/zinc/37/42/69/929374269.db2.gz RRDOCHOQBFECIC-AWEZNQCLSA-N 1 0 290.363 1.644 20 10 CDCDRO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1O)C2 ZINC000824977694 931488596 /nfs/dbraw/zinc/48/85/96/931488596.db2.gz OGJJBTPPDHGIKD-HNNXBMFYSA-N 1 0 295.404 1.793 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C(=O)NC ZINC000825316977 931500427 /nfs/dbraw/zinc/50/04/27/931500427.db2.gz ZVOPFJXLQCIOMD-SNVBAGLBSA-N 1 0 282.340 1.024 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001144503785 931863697 /nfs/dbraw/zinc/86/36/97/931863697.db2.gz CTMQOLIWUQLKHK-CQSZACIVSA-N 1 0 265.309 1.558 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144520218 931871208 /nfs/dbraw/zinc/87/12/08/931871208.db2.gz MFIFCFWQFUYLEF-JTQLQIEISA-N 1 0 295.335 1.579 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]12 ZINC001144520409 931871337 /nfs/dbraw/zinc/87/13/37/931871337.db2.gz PZMNEZFGMPWMOB-GXSJLCMTSA-N 1 0 277.320 1.604 20 10 CDCDRO C[C@@H]1C[N@@H+](Cc2c(O)cc(O)cc2O)C[C@H](C)N1C ZINC001144514614 931877444 /nfs/dbraw/zinc/87/74/44/931877444.db2.gz MAOBNPGNZKKIPN-AOOOYVTPSA-N 1 0 266.341 1.328 20 10 CDCDRO COc1cc(CN2CCCC3(C[NH+](C)C3)C2)cc(O)c1O ZINC001275962720 932170689 /nfs/dbraw/zinc/17/06/89/932170689.db2.gz IWAZXTFZJQGVFN-UHFFFAOYSA-N 1 0 292.379 1.634 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000234899997 932622061 /nfs/dbraw/zinc/62/20/61/932622061.db2.gz LMPBDKRPRPPPJI-DGCLKSJQSA-N 1 0 252.358 1.411 20 10 CDCDRO O=C(NCC12CC[NH+](CC1)CC2)c1cccc(O)c1O ZINC001148219990 932671496 /nfs/dbraw/zinc/67/14/96/932671496.db2.gz JKINTBJTHLMCOF-UHFFFAOYSA-N 1 0 276.336 1.314 20 10 CDCDRO C[C@@H]1[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC001155891755 937685447 /nfs/dbraw/zinc/68/54/47/937685447.db2.gz FHVYXXMJXIMPIC-BXKDBHETSA-N 1 0 289.339 1.671 20 10 CDCDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC001122064807 937902618 /nfs/dbraw/zinc/90/26/18/937902618.db2.gz JEZIZDOKMNRPMN-GWCFXTLKSA-N 1 0 280.368 1.781 20 10 CDCDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001157818799 938551293 /nfs/dbraw/zinc/55/12/93/938551293.db2.gz XMQNCHRWFWOHQJ-CYBMUJFWSA-N 1 0 292.379 1.583 20 10 CDCDRO CC1(C)CCc2cc(N(CC[NH3+])CCO)ccc2O1 ZINC001163835914 939339456 /nfs/dbraw/zinc/33/94/56/939339456.db2.gz IHTAJTBQPQKTKG-UHFFFAOYSA-N 1 0 264.369 1.548 20 10 CDCDRO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccccc2O)C1 ZINC001203556685 939693533 /nfs/dbraw/zinc/69/35/33/939693533.db2.gz TUHBBDCWMRIITR-CYBMUJFWSA-N 1 0 287.363 1.867 20 10 CDCDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(OC)cc1O ZINC001203628876 939698028 /nfs/dbraw/zinc/69/80/28/939698028.db2.gz JCEXTKGFYVQWQV-UHFFFAOYSA-N 1 0 294.395 1.555 20 10 CDCDRO COc1ccc(O)c(CN2CCO[C@H](C(C)=O)C2)c1 ZINC001203684210 939700860 /nfs/dbraw/zinc/70/08/60/939700860.db2.gz OPCWDSRVXGWSHE-AWEZNQCLSA-N 1 0 265.309 1.191 20 10 CDCDRO Oc1ccc(CN2CC[NH+](C3CCC3)CC2)cc1O ZINC001203875293 939710393 /nfs/dbraw/zinc/71/03/93/939710393.db2.gz KJBCDOBWBKNUOQ-UHFFFAOYSA-N 1 0 262.353 1.768 20 10 CDCDRO Oc1ccc(CN2CCC([NH+]3CCC3)CC2)cc1O ZINC001203882230 939711319 /nfs/dbraw/zinc/71/13/19/939711319.db2.gz AIGDVQMOTQIYCI-UHFFFAOYSA-N 1 0 262.353 1.768 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)cc1 ZINC001203936833 939715175 /nfs/dbraw/zinc/71/51/75/939715175.db2.gz OYNJGPUWHAECJY-INIZCTEOSA-N 1 0 287.407 1.949 20 10 CDCDRO COc1cc(CN2CCC3(C2)OCCO3)cc(O)c1O ZINC001204341792 939757319 /nfs/dbraw/zinc/75/73/19/939757319.db2.gz GIHSNTGRWBCBTG-UHFFFAOYSA-N 1 0 281.308 1.055 20 10 CDCDRO [NH3+][C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1F ZINC001204823082 939794871 /nfs/dbraw/zinc/79/48/71/939794871.db2.gz GXITUPPACCWOHM-CVEARBPZSA-N 1 0 293.386 1.129 20 10 CDCDRO Cc1cc(O)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206475343 940045443 /nfs/dbraw/zinc/04/54/43/940045443.db2.gz MXNRHZDPJAJVFT-GXFFZTMASA-N 1 0 270.760 1.105 20 10 CDCDRO CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000400252928 940845580 /nfs/dbraw/zinc/84/55/80/940845580.db2.gz OSDPLLRAIWBGSC-VXGBXAGGSA-N 1 0 296.392 1.003 20 10 CDCDRO C[C@H](Oc1nc[nH]c2cc(=O)c(O)cc1-2)C1CC[NH2+]CC1 ZINC001218010154 941034950 /nfs/dbraw/zinc/03/49/50/941034950.db2.gz RSBMOQSPRKVANO-VIFPVBQESA-N 1 0 289.335 1.808 20 10 CDCDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001218046670 941037921 /nfs/dbraw/zinc/03/79/21/941037921.db2.gz XMCSAOOLRNFNQB-AMIZOPFISA-N 1 0 275.308 1.418 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@@H](Oc2c(O)c(O)c(O)c(O)c2O)C1 ZINC001226468136 942010056 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ZINC001232834109 943413202 /nfs/dbraw/zinc/41/32/02/943413202.db2.gz GPOQHFCKPIWDLR-JSGCOSHPSA-N 1 0 268.332 1.627 20 10 CDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232839313 943416245 /nfs/dbraw/zinc/41/62/45/943416245.db2.gz FUPHVYZKWKVBAC-FZMZJTMJSA-N 1 0 264.369 1.803 20 10 CDCDRO Oc1cc(C[N@H+]2CCCC[C@H](O)C2)cc(O)c1O ZINC001233010299 943460485 /nfs/dbraw/zinc/46/04/85/943460485.db2.gz OAZOHBGMPGXHHY-JTQLQIEISA-N 1 0 253.298 1.150 20 10 CDCDRO C[NH+](C)C[C@H]1COCCN1Cc1c(O)ccc(F)c1F ZINC001233335645 943549192 /nfs/dbraw/zinc/54/91/92/943549192.db2.gz FIOCUDOKKAOMFT-JTQLQIEISA-N 1 0 286.322 1.433 20 10 CDCDRO CCC1(O)CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485874 943592551 /nfs/dbraw/zinc/59/25/51/943592551.db2.gz OEOXBPIKVWSDOE-UHFFFAOYSA-N 1 0 267.325 1.540 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(CCCO3)CC2)cc1O ZINC001233486095 943593454 /nfs/dbraw/zinc/59/34/54/943593454.db2.gz YCDNDSVFBAXLRI-UHFFFAOYSA-N 1 0 279.336 1.948 20 10 CDCDRO C[C@H](C[N+](C)(C)C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233948811 943697839 /nfs/dbraw/zinc/69/78/39/943697839.db2.gz MNBUWHNKKQATRA-SECBINFHSA-O 1 0 278.332 1.515 20 10 CDCDRO Oc1ccc(Cl)cc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234978654 943992171 /nfs/dbraw/zinc/99/21/71/943992171.db2.gz AZAUFPKNTZTVPO-AWEZNQCLSA-N 1 0 281.787 1.183 20 10 CDCDRO Oc1ccc(Cl)cc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234978664 943992394 /nfs/dbraw/zinc/99/23/94/943992394.db2.gz AZAUFPKNTZTVPO-CQSZACIVSA-N 1 0 281.787 1.183 20 10 CDCDRO Cc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)ccc1N(C)C ZINC001235045750 944021648 /nfs/dbraw/zinc/02/16/48/944021648.db2.gz VOWSJGNJYXBLLG-GOEBONIOSA-N 1 0 259.397 1.997 20 10 CDCDRO Cc1cc(CN2CC[C@H]3[NH2+]CC[C@H]32)ccc1N(C)C ZINC001235079587 944046570 /nfs/dbraw/zinc/04/65/70/944046570.db2.gz VOWSJGNJYXBLLG-GDBMZVCRSA-N 1 0 259.397 1.997 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2CO)c2ccccc21 ZINC001235439080 944156350 /nfs/dbraw/zinc/15/63/50/944156350.db2.gz AUORRWPMIPUTTK-HNNXBMFYSA-N 1 0 299.418 1.672 20 10 CDCDRO CNC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676758 944243330 /nfs/dbraw/zinc/24/33/30/944243330.db2.gz TYKLIPDRHCOQPD-UHFFFAOYSA-N 1 0 264.369 1.868 20 10 CDCDRO Cc1cc(CN2CC[C@@H]([NH3+])C2)c(O)cc1Br ZINC001236171808 944422518 /nfs/dbraw/zinc/42/25/18/944422518.db2.gz DFTMWXPSDAIGID-SNVBAGLBSA-N 1 0 285.185 1.996 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)ccc1O ZINC001236196618 944426766 /nfs/dbraw/zinc/42/67/66/944426766.db2.gz LTVWQKCMDBGGFR-QWRGUYRKSA-N 1 0 284.743 1.120 20 10 CDCDRO Oc1c(CN2C[C@H]3C[NH2+]C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001236289180 944447591 /nfs/dbraw/zinc/44/75/91/944447591.db2.gz PNEUSAKFJKRFJQ-GDBMZVCRSA-N 1 0 299.418 1.495 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CCCCO)CC2)cc1 ZINC001236433308 944496811 /nfs/dbraw/zinc/49/68/11/944496811.db2.gz HVCIZYZRUXDBGG-UHFFFAOYSA-N 1 0 278.396 1.980 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(C)=O)C2)cc1OC ZINC001236757262 944560038 /nfs/dbraw/zinc/56/00/38/944560038.db2.gz JKUMGVWDTKDZTG-LLVKDONJSA-N 1 0 279.336 1.820 20 10 CDCDRO CCc1ccc(C[N@H+](C)C2CCS(=O)(=O)CC2)c(O)c1 ZINC001236793537 944570185 /nfs/dbraw/zinc/57/01/85/944570185.db2.gz YGWNUBZFYWMREA-UHFFFAOYSA-N 1 0 297.420 1.964 20 10 CDCDRO COC[C@H]1CC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236813079 944577653 /nfs/dbraw/zinc/57/76/53/944577653.db2.gz FVJZUPUCBLBYQO-LLVKDONJSA-N 1 0 251.326 1.930 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC001238071534 945052642 /nfs/dbraw/zinc/05/26/42/945052642.db2.gz YVYQDTAARBXUQW-OAHLLOKOSA-N 1 0 294.326 1.914 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)n1ccnc1 ZINC001320690102 959328052 /nfs/dbraw/zinc/32/80/52/959328052.db2.gz DYLGZRCTISGXLS-GHMZBOCLSA-N 1 0 289.335 1.603 20 10 CDCDRO Cc1cc(O)c(C[NH2+]Cc2nnc3n2CCOC3)cc1C ZINC001320708736 959343279 /nfs/dbraw/zinc/34/32/79/959343279.db2.gz PDVIOGSFDLNLEH-UHFFFAOYSA-N 1 0 288.351 1.421 20 10 CDCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC001321868672 959993930 /nfs/dbraw/zinc/99/39/30/959993930.db2.gz SNFNFNDHIHORTR-STQMWFEESA-N 1 0 279.336 1.832 20 10 CDCDRO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001336290044 960290396 /nfs/dbraw/zinc/29/03/96/960290396.db2.gz GHJPBUFTITZILN-CYBMUJFWSA-N 1 0 262.357 1.162 20 10 CDCDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001336698599 960480805 /nfs/dbraw/zinc/48/08/05/960480805.db2.gz RMSWLQFJNLGSND-UHFFFAOYSA-N 1 0 297.351 1.698 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001336909289 960731778 /nfs/dbraw/zinc/73/17/78/960731778.db2.gz OKRYQXAUPJTZSF-GZBFAFLISA-N 1 0 288.395 1.456 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC001337834093 961456254 /nfs/dbraw/zinc/45/62/54/961456254.db2.gz MUSGKVOSFLICOQ-AWEZNQCLSA-N 1 0 259.353 1.512 20 10 CDCDRO COc1ccc2c(c1)CCN2C(=O)C1=CCC[NH2+]CC1 ZINC001341399924 963399154 /nfs/dbraw/zinc/39/91/54/963399154.db2.gz WAZIFJFDNLKZHH-UHFFFAOYSA-N 1 0 272.348 1.894 20 10 CDCDRO C[C@@H](C(=O)NCc1cccc(O)c1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001348048637 965800731 /nfs/dbraw/zinc/80/07/31/965800731.db2.gz VYKVYZPATFJBQY-TUAOUCFPSA-N 1 0 292.379 1.975 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC001350329193 966635155 /nfs/dbraw/zinc/63/51/55/966635155.db2.gz AACTUQWRIRVHPC-UHFFFAOYSA-N 1 0 287.367 1.137 20 10 CDCDRO CCc1cccc(C[N@H+](CCO)CCCOC)c1O ZINC000848906793 969346819 /nfs/dbraw/zinc/34/68/19/969346819.db2.gz ZPHCPYVEQIWQKG-UHFFFAOYSA-N 1 0 267.369 1.785 20 10 CDCDRO C[NH2+]CCCNCc1cc(F)c(N(C)C)cc1F ZINC001578691611 1171983032 /nfs/dbraw/zinc/98/30/32/1171983032.db2.gz RLUYUMVJNBKFML-UHFFFAOYSA-N 1 0 257.328 1.730 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CCCO)CC2)cc1 ZINC000074415288 1172044801 /nfs/dbraw/zinc/04/48/01/1172044801.db2.gz UPTKWNXZXOSILT-UHFFFAOYSA-N 1 0 264.369 1.590 20 10 CDCDRO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571603 356419958 /nfs/dbraw/zinc/41/99/58/356419958.db2.gz SMGUKKMMOVYFQL-CYBMUJFWSA-N 1 0 275.396 1.983 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N(C)C)c(O)c1 ZINC000037751748 356924774 /nfs/dbraw/zinc/92/47/74/356924774.db2.gz FADWSUIZFSOGRS-NSHDSACASA-N 1 0 250.342 1.830 20 10 CDCDRO CCN1CCN(Cc2cc(OC)ccc2O)C(C)(C)C1=O ZINC000190027944 358049545 /nfs/dbraw/zinc/04/95/45/358049545.db2.gz GWBAYHDWKLBGIH-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191727962 358149782 /nfs/dbraw/zinc/14/97/82/358149782.db2.gz OCYWQUWFXFRQAV-YPMHNXCESA-N 1 0 265.353 1.851 20 10 CDCDRO C[NH2+]CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000193129922 358267790 /nfs/dbraw/zinc/26/77/90/358267790.db2.gz XIWXAXBPECKWRH-ZDUSSCGKSA-N 1 0 278.352 1.119 20 10 CDCDRO O=C1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1C1CC1 ZINC000296785672 199996615 /nfs/dbraw/zinc/99/66/15/199996615.db2.gz KWTUHXGNJCPQPS-AAEUAGOBSA-N 1 0 272.348 1.732 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCNC2=O)c1 ZINC000050394279 359779468 /nfs/dbraw/zinc/77/94/68/359779468.db2.gz XNLKMBWUAPFTLI-CABZTGNLSA-N 1 0 264.325 1.330 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000270247829 364517612 /nfs/dbraw/zinc/51/76/12/364517612.db2.gz UBGDAOVLVCKWPK-OAHLLOKOSA-N 1 0 274.368 1.309 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC)CCCO)c1 ZINC000271167674 364956235 /nfs/dbraw/zinc/95/62/35/364956235.db2.gz CPQKAWNKJTYIMH-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[S@@](C)=O)c1 ZINC000168413603 364984212 /nfs/dbraw/zinc/98/42/12/364984212.db2.gz ZIKOZSZVSGDNLJ-XYZCENFISA-N 1 0 257.355 1.257 20 10 CDCDRO CC(=O)N1CC[N@H+](Cc2cccc(C)c2O)[C@@H](C)C1 ZINC000271756145 364995800 /nfs/dbraw/zinc/99/58/00/364995800.db2.gz CVBXKMZFWMSNLM-LBPRGKRZSA-N 1 0 262.353 1.753 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1O ZINC000293841313 370820407 /nfs/dbraw/zinc/82/04/07/370820407.db2.gz IZVIEKPWCPHPOT-INIZCTEOSA-N 1 0 290.363 1.574 20 10 CDCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCNC1=O ZINC000281821997 367690001 /nfs/dbraw/zinc/69/00/01/367690001.db2.gz RDDTYWWLCSTXSO-CYBMUJFWSA-N 1 0 262.353 1.719 20 10 CDCDRO CCCC[N@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000159104944 261178131 /nfs/dbraw/zinc/17/81/31/261178131.db2.gz BGDOSMWYGBRWKX-UHFFFAOYSA-N 1 0 267.325 1.715 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134524644 369565356 /nfs/dbraw/zinc/56/53/56/369565356.db2.gz POLNXYLAJIXXLX-LBPRGKRZSA-N 1 0 262.353 1.740 20 10 CDCDRO COc1nccc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000294778961 371090405 /nfs/dbraw/zinc/09/04/05/371090405.db2.gz JYAFHOOBHMKVLC-UHFFFAOYSA-N 1 0 259.309 1.823 20 10 CDCDRO COc1cccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1O ZINC000162067563 261267595 /nfs/dbraw/zinc/26/75/95/261267595.db2.gz PQFOMVNKTCTMDU-NSHDSACASA-N 1 0 264.325 1.241 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000245944241 376330051 /nfs/dbraw/zinc/33/00/51/376330051.db2.gz VFODKLMUQSGBOI-HZPDHXFCSA-N 1 0 293.363 1.781 20 10 CDCDRO Oc1cc(F)c(F)cc1CN[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580888422 1172563220 /nfs/dbraw/zinc/56/32/20/1172563220.db2.gz KTIFOCMGNJVWQB-JFUSQASVSA-N 1 0 254.280 1.653 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](CCO)CCOC)cc1 ZINC000093006205 390898878 /nfs/dbraw/zinc/89/88/78/390898878.db2.gz KSLHFTCNXIBGON-UHFFFAOYSA-N 1 0 280.412 1.974 20 10 CDCDRO COCC[N@H+](Cc1cc(C)ccc1O)[C@H](C)C(N)=O ZINC000093139190 390900510 /nfs/dbraw/zinc/90/05/10/390900510.db2.gz DZNVPIUPHKMUGT-LLVKDONJSA-N 1 0 266.341 1.023 20 10 CDCDRO Cc1cccc(C[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000281854408 390972153 /nfs/dbraw/zinc/97/21/53/390972153.db2.gz UVLKTZFVMMHALF-KRWDZBQOSA-N 1 0 253.367 1.701 20 10 CDCDRO CC(C)N1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000296840442 391061604 /nfs/dbraw/zinc/06/16/04/391061604.db2.gz MYAKHTLQNMFXHD-CHWSQXEVSA-N 1 0 274.364 1.978 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@](O)(C3CC3)C1)OCO2 ZINC000373321467 391115567 /nfs/dbraw/zinc/11/55/67/391115567.db2.gz SKCVRAKEGMQGTI-OAHLLOKOSA-N 1 0 277.320 1.468 20 10 CDCDRO CC[C@@H]([NH2+][C@H](CCO)COC)c1ccccc1O ZINC000229556274 391137308 /nfs/dbraw/zinc/13/73/08/391137308.db2.gz LOMSFTVMJRKKBF-DGCLKSJQSA-N 1 0 253.342 1.830 20 10 CDCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710966 391190698 /nfs/dbraw/zinc/19/06/98/391190698.db2.gz YJZUAYDAUKSXQA-AWEZNQCLSA-N 1 0 261.369 1.640 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000183487697 391265591 /nfs/dbraw/zinc/26/55/91/391265591.db2.gz KYTDZUFHIMRVGI-SNVBAGLBSA-N 1 0 257.355 1.478 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1F ZINC000372445536 391852474 /nfs/dbraw/zinc/85/24/74/391852474.db2.gz KEWCIIBDISKLES-BLLLJJGKSA-N 1 0 291.370 1.508 20 10 CDCDRO COC[C@H](C[NH2+]Cc1c(O)cccc1Cl)OC ZINC000227706747 392044776 /nfs/dbraw/zinc/04/47/76/392044776.db2.gz FPRDJWDRBLWEFT-VIFPVBQESA-N 1 0 259.733 1.797 20 10 CDCDRO CC[NH+](CC)CCCNC(=O)Cc1ccc(N)cc1 ZINC000022164085 171365151 /nfs/dbraw/zinc/36/51/51/171365151.db2.gz ZTRJKFOFELUCME-UHFFFAOYSA-N 1 0 263.385 1.659 20 10 CDCDRO CN(C)C(=O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037254262 173065630 /nfs/dbraw/zinc/06/56/30/173065630.db2.gz VZONZGXPQSQNHQ-UHFFFAOYSA-N 1 0 261.369 1.465 20 10 CDCDRO COc1cccc(C[NH2+]C2CCN(C)CC2)c1O ZINC000037267143 173077740 /nfs/dbraw/zinc/07/77/40/173077740.db2.gz PAYGKCDBFMPCQH-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO COc1cc(Cl)cc(CN2CC[NH2+]CC2)c1O ZINC000076535248 177034838 /nfs/dbraw/zinc/03/48/38/177034838.db2.gz DIEGNSNXLMVUNY-UHFFFAOYSA-N 1 0 256.733 1.459 20 10 CDCDRO O=C1CN(Cc2ccc(N3CCCCC3)cc2)CCN1 ZINC000160486600 261216287 /nfs/dbraw/zinc/21/62/87/261216287.db2.gz GZCOUFBPIBDVOU-UHFFFAOYSA-N 1 0 273.380 1.609 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C3([NH3+])CC3)ccc21 ZINC000166473306 261390662 /nfs/dbraw/zinc/39/06/62/261390662.db2.gz ZVGLOAKABASVNI-UHFFFAOYSA-N 1 0 259.353 1.177 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000375734140 267894880 /nfs/dbraw/zinc/89/48/80/267894880.db2.gz VSOUUTBFYGFBJH-KRWDZBQOSA-N 1 0 289.423 1.659 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000293510138 277013071 /nfs/dbraw/zinc/01/30/71/277013071.db2.gz OHIDBQLCQYOTOF-OAHLLOKOSA-N 1 0 275.396 1.771 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052705 326902457 /nfs/dbraw/zinc/90/24/57/326902457.db2.gz DCYLPXHRHRQTNS-LLVKDONJSA-N 1 0 250.342 1.618 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c(O)c1 ZINC000278681550 327183898 /nfs/dbraw/zinc/18/38/98/327183898.db2.gz GJMZUVSBLACKKG-HUBLWGQQSA-N 1 0 265.353 1.891 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000228056312 333293887 /nfs/dbraw/zinc/29/38/87/333293887.db2.gz GJMZUVSBLACKKG-ZOWXZIJZSA-N 1 0 265.353 1.891 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2)c(O)c1C ZINC000530225164 333529013 /nfs/dbraw/zinc/52/90/13/333529013.db2.gz MKKAQYPDPXGSGF-CHWSQXEVSA-N 1 0 264.369 1.648 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H](C)C(=O)NC)ccc1OC ZINC000291756683 520186099 /nfs/dbraw/zinc/18/60/99/520186099.db2.gz QVXITXFRBYANGF-NSHDSACASA-N 1 0 280.368 1.456 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H](C)OC ZINC000291139659 521296476 /nfs/dbraw/zinc/29/64/76/521296476.db2.gz OXBVXHFQNWSVTD-SNVBAGLBSA-N 1 0 267.325 1.978 20 10 CDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000228099337 521773168 /nfs/dbraw/zinc/77/31/68/521773168.db2.gz XDSFCNILVPPMJI-OAHLLOKOSA-N 1 0 278.352 1.359 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C(C)(C)[NH3+])cc1F ZINC000237056405 522185039 /nfs/dbraw/zinc/18/50/39/522185039.db2.gz PGFZMTDKZSPEAF-UHFFFAOYSA-N 1 0 253.321 1.245 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1F ZINC000299467616 522201789 /nfs/dbraw/zinc/20/17/89/522201789.db2.gz AUERJAHPZKKNCX-CQSZACIVSA-N 1 0 279.359 1.602 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1F ZINC000237084942 522202135 /nfs/dbraw/zinc/20/21/35/522202135.db2.gz GWCXDTTWQVDRGN-CYBMUJFWSA-N 1 0 279.359 1.650 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093898586 524094948 /nfs/dbraw/zinc/09/49/48/524094948.db2.gz RAFYPZYKLRSSDY-GFCCVEGCSA-N 1 0 263.385 1.567 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CCN(C)C)CC2)cc1 ZINC000365122602 524403132 /nfs/dbraw/zinc/40/31/32/524403132.db2.gz DVQWTNSUDIQBNU-UHFFFAOYSA-N 1 0 277.412 1.815 20 10 CDCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(F)ccc1O ZINC000130872366 524657625 /nfs/dbraw/zinc/65/76/25/524657625.db2.gz SDDNZXWSWPBPCH-XLFHBGCDSA-N 1 0 259.346 1.730 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280306632 525350391 /nfs/dbraw/zinc/35/03/91/525350391.db2.gz NYXFYEVFMVBJKY-OCCSQVGLSA-N 1 0 265.353 1.435 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c(O)c1 ZINC000280933040 525917646 /nfs/dbraw/zinc/91/76/46/525917646.db2.gz IGJJYXXIYKPYOF-NSHDSACASA-N 1 0 283.393 1.928 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1O ZINC000292856338 525951653 /nfs/dbraw/zinc/95/16/53/525951653.db2.gz UUNOMZRSEPXUAV-JQWIXIFHSA-N 1 0 251.326 1.746 20 10 CDCDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1O ZINC000368975409 526987897 /nfs/dbraw/zinc/98/78/97/526987897.db2.gz RAYGUIVNLZQVMN-SUHUHFCYSA-N 1 0 260.337 1.478 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCN(CCOC)C2)c(O)c1 ZINC000730817106 575012544 /nfs/dbraw/zinc/01/25/44/575012544.db2.gz HJQYOCSGXVFUNW-CQSZACIVSA-N 1 0 294.395 1.601 20 10 CDCDRO Cn1ccc(C[N@H+](C)Cc2ccccc2O)cc1=O ZINC000731843731 575065558 /nfs/dbraw/zinc/06/55/58/575065558.db2.gz UZGHHJMBFOIGBU-UHFFFAOYSA-N 1 0 258.321 1.723 20 10 CDCDRO C[C@@H]1CN(CC[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000733328201 575114954 /nfs/dbraw/zinc/11/49/54/575114954.db2.gz KSNNRPMPYOAMCJ-LLVKDONJSA-N 1 0 284.787 1.856 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765797082 576056827 /nfs/dbraw/zinc/05/68/27/576056827.db2.gz PJFNSSOZOYUJNX-ZIAGYGMSSA-N 1 0 274.364 1.626 20 10 CDCDRO Cn1cc(C[N@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cn1 ZINC000768438530 576282900 /nfs/dbraw/zinc/28/29/00/576282900.db2.gz BGKJSIMMDIKIJR-AWEZNQCLSA-N 1 0 289.335 1.184 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1O ZINC000762786896 576671861 /nfs/dbraw/zinc/67/18/61/576671861.db2.gz LOTUVXLAHPINMI-IINYFYTJSA-N 1 0 284.787 1.763 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)cc1 ZINC000762790200 576672728 /nfs/dbraw/zinc/67/27/28/576672728.db2.gz YJJWXLFGLTYPOQ-RHSMWYFYSA-N 1 0 291.439 1.860 20 10 CDCDRO CCC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1ccccc1O ZINC000754048332 576875423 /nfs/dbraw/zinc/87/54/23/576875423.db2.gz FPCRAVIJEIHVQU-UHFFFAOYSA-N 1 0 276.340 1.226 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1 ZINC000756608271 576997104 /nfs/dbraw/zinc/99/71/04/576997104.db2.gz AATSQFSKTIZDRU-XHDPSFHLSA-N 1 0 275.352 1.818 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccccc1O ZINC000757926023 577061040 /nfs/dbraw/zinc/06/10/40/577061040.db2.gz JEQGFEZCYSKGFT-CQSZACIVSA-N 1 0 267.325 1.450 20 10 CDCDRO C[C@@H](CC(=O)[O-])[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000820085925 598161618 /nfs/dbraw/zinc/16/16/18/598161618.db2.gz ZCVLLAFXMWJVKS-ZDUSSCGKSA-N 1 0 291.395 1.391 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892475442 617403521 /nfs/dbraw/zinc/40/35/21/617403521.db2.gz HSSITCBEJYKRTH-JSGCOSHPSA-N 1 0 296.436 1.665 20 10 CDCDRO CC[C@H](CCO)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893159249 617419572 /nfs/dbraw/zinc/41/95/72/617419572.db2.gz JKJZSZWOWVDKCC-LLVKDONJSA-N 1 0 283.368 1.908 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000892038141 617430535 /nfs/dbraw/zinc/43/05/35/617430535.db2.gz AICMYFCSMDSADK-HUUCEWRRSA-N 1 0 288.395 1.347 20 10 CDCDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCc1ccc(N)cc1)C2 ZINC000892038984 617434234 /nfs/dbraw/zinc/43/42/34/617434234.db2.gz NEPJWKWFUKLSPE-XJKSGUPXSA-N 1 0 288.395 1.062 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891564953 617479849 /nfs/dbraw/zinc/47/98/49/617479849.db2.gz NOADHEBTGFAXST-OCCSQVGLSA-N 1 0 290.411 1.692 20 10 CDCDRO COc1ccc(C[NH2+]C2(CO)CCCC2)c(O)c1OC ZINC000893359936 617668515 /nfs/dbraw/zinc/66/85/15/617668515.db2.gz FNJGWXFQFNLCIL-UHFFFAOYSA-N 1 0 281.352 1.804 20 10 CDCDRO C[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccccc1O ZINC000892279297 617680248 /nfs/dbraw/zinc/68/02/48/617680248.db2.gz VKWGHVSCOXNZQZ-NSHDSACASA-N 1 0 293.367 1.260 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1O ZINC000893945539 618212150 /nfs/dbraw/zinc/21/21/50/618212150.db2.gz DWSFVESXHQXEEU-NWDGAFQWSA-N 1 0 292.379 1.795 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000894017659 618243897 /nfs/dbraw/zinc/24/38/97/618243897.db2.gz RBGAVVRDYFYRDY-LBPRGKRZSA-N 1 0 287.306 1.644 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCN2CCOCC2)c1O ZINC000894145511 618624939 /nfs/dbraw/zinc/62/49/39/618624939.db2.gz MGIIGAOVXGHZIN-UHFFFAOYSA-N 1 0 294.395 1.521 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCO[C@H]2CCOC2)c1O ZINC000894331297 618783457 /nfs/dbraw/zinc/78/34/57/618783457.db2.gz DOBCRNZLNQHBRI-AWEZNQCLSA-N 1 0 295.379 1.994 20 10 CDCDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894359055 618819058 /nfs/dbraw/zinc/81/90/58/618819058.db2.gz KZUPUXDJCNJIAA-UHFFFAOYSA-N 1 0 294.395 1.961 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCOCCO)c1O ZINC000894433118 618884749 /nfs/dbraw/zinc/88/47/49/618884749.db2.gz ALYJFRPTDNCOOR-UHFFFAOYSA-N 1 0 269.341 1.198 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H]1CCCO1 ZINC000894593711 618985615 /nfs/dbraw/zinc/98/56/15/618985615.db2.gz ATSRGEYXRKVFAJ-KBPBESRZSA-N 1 0 295.379 1.993 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000894595148 618986514 /nfs/dbraw/zinc/98/65/14/618986514.db2.gz HMCNKFPWYRLKLU-CYBMUJFWSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H](OC)C2CC2)c(O)c1OC ZINC000894631096 618997820 /nfs/dbraw/zinc/99/78/20/618997820.db2.gz AUQKRAKATGCUNM-ZDUSSCGKSA-N 1 0 281.352 1.924 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1OC ZINC000894804762 619063140 /nfs/dbraw/zinc/06/31/40/619063140.db2.gz QIANSTBCGLQSLZ-OAHLLOKOSA-N 1 0 294.351 1.168 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000894836385 619087940 /nfs/dbraw/zinc/08/79/40/619087940.db2.gz HSZKXXAYJBSMBW-ITGUQSILSA-N 1 0 263.337 1.379 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2COCO2)cc1F ZINC000894886468 619122827 /nfs/dbraw/zinc/12/28/27/619122827.db2.gz DLLQVIHMIMTBNT-SNVBAGLBSA-N 1 0 272.295 1.493 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)c1O ZINC000895033033 619211771 /nfs/dbraw/zinc/21/17/71/619211771.db2.gz FMSLSDUCSNKXHS-CYBMUJFWSA-N 1 0 295.379 1.681 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000895404285 619652895 /nfs/dbraw/zinc/65/28/95/619652895.db2.gz DAGXEBSDYIQCMF-KLPPZKSPSA-N 1 0 251.326 1.570 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1OC ZINC000895697432 619808943 /nfs/dbraw/zinc/80/89/43/619808943.db2.gz YDOROWCQBVHIBZ-JGZJWPJOSA-N 1 0 267.325 1.270 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000896912454 620302432 /nfs/dbraw/zinc/30/24/32/620302432.db2.gz WKYSVKGXKFRSRI-UHFFFAOYSA-N 1 0 267.300 1.774 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758188 621010427 /nfs/dbraw/zinc/01/04/27/621010427.db2.gz FNIGYPCEEFCDNB-LLVKDONJSA-N 1 0 276.384 1.215 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1OC ZINC000897679585 621065874 /nfs/dbraw/zinc/06/58/74/621065874.db2.gz BGXMECJXTJOHHW-SKDRFNHKSA-N 1 0 267.325 1.222 20 10 CDCDRO CN(C)c1ccc([C@@H](CNCc2cc[nH]n2)[NH+](C)C)cc1 ZINC000898450958 621741827 /nfs/dbraw/zinc/74/18/27/621741827.db2.gz GAKWOJUXQRGKRP-MRXNPFEDSA-N 1 0 287.411 1.868 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000901130597 623890162 /nfs/dbraw/zinc/89/01/62/623890162.db2.gz DKZSHAGIJZYYGF-LLVKDONJSA-N 1 0 278.352 1.587 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)CCOC2)cc1 ZINC000911667933 629387106 /nfs/dbraw/zinc/38/71/06/629387106.db2.gz UNKLDIXERKPFGR-GOEBONIOSA-N 1 0 291.395 1.295 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@@H]2CNCCO2)ccc1OC ZINC000841098088 630552804 /nfs/dbraw/zinc/55/28/04/630552804.db2.gz BXYVRJJHEHTHSJ-HNNXBMFYSA-N 1 0 294.395 1.310 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCN(C3CC3)C1)OCO2 ZINC000044687866 630553962 /nfs/dbraw/zinc/55/39/62/630553962.db2.gz HJRDSXREHFUUMX-LLVKDONJSA-N 1 0 276.336 1.447 20 10 CDCDRO CC(C)CNC(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000226605165 1159163595 /nfs/dbraw/zinc/16/35/95/1159163595.db2.gz KAWJYDQGLSAPQE-UHFFFAOYSA-N 1 0 254.305 1.393 20 10 CDCDRO Oc1ccc(F)cc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229925 1165526696 /nfs/dbraw/zinc/52/66/96/1165526696.db2.gz IYHONMDRUUPOFN-KGLIPLIRSA-N 1 0 250.317 1.906 20 10 CDCDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001576502863 1171440993 /nfs/dbraw/zinc/44/09/93/1171440993.db2.gz IMCADULDEBJXMZ-AWEZNQCLSA-N 1 0 289.339 1.660 20 10 CDCDRO [NH3+]C[C@@]12CC[C@H]1CCN2Cc1cc(F)c(F)cc1O ZINC001580253228 1172384429 /nfs/dbraw/zinc/38/44/29/1172384429.db2.gz JHVVDLYWXSRJTE-HZMBPMFUSA-N 1 0 268.307 1.984 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC001580888754 1172565974 /nfs/dbraw/zinc/56/59/74/1172565974.db2.gz YAMZGFDDDBEHEQ-UHFFFAOYSA-N 1 0 268.307 1.998 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000126353263 1175456888 /nfs/dbraw/zinc/45/68/88/1175456888.db2.gz KQDOPNIGLFAFCX-JTQLQIEISA-N 1 0 264.325 1.312 20 10 CDCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000231606075 1178171588 /nfs/dbraw/zinc/17/15/88/1178171588.db2.gz SWUFUXHQFILYSG-INIZCTEOSA-N 1 0 278.396 1.774 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000826994342 773803986 /nfs/dbraw/zinc/80/39/86/773803986.db2.gz DKMZXORIQHTEBM-ZDUSSCGKSA-N 1 0 276.336 1.727 20 10 CDCDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850316886 773810103 /nfs/dbraw/zinc/81/01/03/773810103.db2.gz PDURVFWIKVBDDH-ZIAGYGMSSA-N 1 0 295.379 1.548 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+]C[C@@H]2C)c1O ZINC000722384219 773811718 /nfs/dbraw/zinc/81/17/18/773811718.db2.gz CMBYBNWCRAASHA-NSHDSACASA-N 1 0 250.342 1.585 20 10 CDCDRO CC[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032216199 773819028 /nfs/dbraw/zinc/81/90/28/773819028.db2.gz ZNLOFZWMOCOAHW-UHFFFAOYSA-N 1 0 289.339 1.531 20 10 CDCDRO COc1ccc(O)c(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857225997 773827446 /nfs/dbraw/zinc/82/74/46/773827446.db2.gz CLHVGJZAHOMTET-WFASDCNBSA-N 1 0 262.353 1.714 20 10 CDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000399412546 773842074 /nfs/dbraw/zinc/84/20/74/773842074.db2.gz WUXWUOIRHJKQNC-SWLSCSKDSA-N 1 0 277.412 1.988 20 10 CDCDRO COCCNC(=O)C1([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877586639 773846999 /nfs/dbraw/zinc/84/69/99/773846999.db2.gz MKLCCQOHJUAEJL-UHFFFAOYSA-N 1 0 278.352 1.085 20 10 CDCDRO COc1c([O-])c(C[NH+]2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843047003 773860806 /nfs/dbraw/zinc/86/08/06/773860806.db2.gz CSJVVHJZHKGNAJ-UHFFFAOYSA-N 1 0 295.339 1.480 20 10 CDCDRO CCN(CCO)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825535842 773909795 /nfs/dbraw/zinc/90/97/95/773909795.db2.gz CPAHZOJCAYJDSK-UHFFFAOYSA-N 1 0 286.803 1.758 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000846108373 773928497 /nfs/dbraw/zinc/92/84/97/773928497.db2.gz CGBANGPYQCBPGE-MRXNPFEDSA-N 1 0 295.379 1.812 20 10 CDCDRO [NH3+]C1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000841050882 774032336 /nfs/dbraw/zinc/03/23/36/774032336.db2.gz JREPPQQHKLYYEK-UHFFFAOYSA-N 1 0 285.731 1.925 20 10 CDCDRO CCc1cccc(CN[C@H](C(=O)OC)C2CC2)c1O ZINC000848906416 774048961 /nfs/dbraw/zinc/04/89/61/774048961.db2.gz UWYQMTFRRZASJQ-ZDUSSCGKSA-N 1 0 263.337 1.996 20 10 CDCDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1O ZINC000846213826 774117739 /nfs/dbraw/zinc/11/77/39/774117739.db2.gz KTRVIHCSPHPOCK-DOMZBBRYSA-N 1 0 265.353 1.974 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000840940951 774128206 /nfs/dbraw/zinc/12/82/06/774128206.db2.gz OSTQOMVYDCHZDQ-XJKSGUPXSA-N 1 0 278.396 1.691 20 10 CDCDRO O=C([C@H]1CC[NH2+]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829002863 774339520 /nfs/dbraw/zinc/33/95/20/774339520.db2.gz GDTRSTBTZPAMPX-ZIAGYGMSSA-N 1 0 290.363 1.262 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000778923713 774370570 /nfs/dbraw/zinc/37/05/70/774370570.db2.gz QVGWIVVNSHOADZ-NSHDSACASA-N 1 0 264.325 1.198 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(C)ccc1O ZINC000172069949 774469617 /nfs/dbraw/zinc/46/96/17/774469617.db2.gz NVIDYJIHROCKAT-CQSZACIVSA-N 1 0 253.342 1.578 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C[NH3+])c1 ZINC000841961357 774489112 /nfs/dbraw/zinc/48/91/12/774489112.db2.gz AJDDOJYNNCFJJR-NXEZZACHSA-N 1 0 281.356 1.356 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000844166664 774529958 /nfs/dbraw/zinc/52/99/58/774529958.db2.gz NDVBVGVOXBTYHO-BNOWGMLFSA-N 1 0 259.353 1.119 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000228943634 774627624 /nfs/dbraw/zinc/62/76/24/774627624.db2.gz AYHPKPBYYXOVNR-JTQLQIEISA-N 1 0 266.341 1.404 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](O)CC(C)C)c1O ZINC000227442225 774810652 /nfs/dbraw/zinc/81/06/52/774810652.db2.gz UFRGISMWAFMGQT-LBPRGKRZSA-N 1 0 253.342 1.897 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCN2CCCO)cc1 ZINC000824559015 774836753 /nfs/dbraw/zinc/83/67/53/774836753.db2.gz COUCHPVNZITKRV-QGZVFWFLSA-N 1 0 291.439 1.689 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@]2(OC)CCOC2)c1O ZINC000122985012 774836873 /nfs/dbraw/zinc/83/68/73/774836873.db2.gz YFNXKDJFUOUDQI-OAHLLOKOSA-N 1 0 281.352 1.686 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933304 774859262 /nfs/dbraw/zinc/85/92/62/774859262.db2.gz BSQUMLPQVQZEMR-MRXNPFEDSA-N 1 0 280.412 1.938 20 10 CDCDRO COCC(COC)[NH2+]Cc1cccc(OC)c1O ZINC000388411442 774877179 /nfs/dbraw/zinc/87/71/79/774877179.db2.gz YCJDFDTUBFPMCU-UHFFFAOYSA-N 1 0 255.314 1.152 20 10 CDCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000922200306 774903725 /nfs/dbraw/zinc/90/37/25/774903725.db2.gz CAAUGJAFZGUTGI-CYBMUJFWSA-N 1 0 288.347 1.249 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000840913869 774950415 /nfs/dbraw/zinc/95/04/15/774950415.db2.gz KFPWBJRPYBFDJU-HNNXBMFYSA-N 1 0 291.439 1.559 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089746607 775014011 /nfs/dbraw/zinc/01/40/11/775014011.db2.gz PUJIWHMZXJWQHZ-ZDUSSCGKSA-N 1 0 261.369 1.368 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(O)c1 ZINC000777222051 775024482 /nfs/dbraw/zinc/02/44/82/775024482.db2.gz PWWCUKOWFLSGSX-CYBMUJFWSA-N 1 0 288.351 1.829 20 10 CDCDRO CC(C)NC(=O)C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000835059107 775086074 /nfs/dbraw/zinc/08/60/74/775086074.db2.gz XVUVEHDSVRFOCI-UHFFFAOYSA-N 1 0 287.363 1.897 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCS(=O)(=O)C1 ZINC000843350076 775086844 /nfs/dbraw/zinc/08/68/44/775086844.db2.gz ISTHRYZZTDSART-ZDUSSCGKSA-N 1 0 294.420 1.333 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC[C@H](O)C[NH+]2CCCC2)c1 ZINC000775368806 775629700 /nfs/dbraw/zinc/62/97/00/775629700.db2.gz GHTPJORSRMOWBH-STQMWFEESA-N 1 0 294.395 1.508 20 10 CDCDRO COCC[C@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315590 775695907 /nfs/dbraw/zinc/69/59/07/775695907.db2.gz UDZZKGDQFNQJBE-AWEZNQCLSA-N 1 0 292.379 1.251 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000858120773 775917134 /nfs/dbraw/zinc/91/71/34/775917134.db2.gz LZMPRYXIWYQSQO-AWEZNQCLSA-N 1 0 291.395 1.984 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1F ZINC000839196124 775954423 /nfs/dbraw/zinc/95/44/23/775954423.db2.gz RJHNVIBNBNWLLA-LBPRGKRZSA-N 1 0 279.359 1.508 20 10 CDCDRO CSC[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832274587 775990489 /nfs/dbraw/zinc/99/04/89/775990489.db2.gz WBCFGSBHODQTTH-SMDDNHRTSA-N 1 0 295.452 1.868 20 10 CDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922165317 776039348 /nfs/dbraw/zinc/03/93/48/776039348.db2.gz FDRFWXNRVZXSJK-KGLIPLIRSA-N 1 0 274.364 1.755 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCSC1 ZINC000877082640 776056354 /nfs/dbraw/zinc/05/63/54/776056354.db2.gz ZWJIXHUDCUTLFC-ZDUSSCGKSA-N 1 0 253.367 1.658 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](CO)OC[C@H]2C)c1 ZINC000305746834 776086556 /nfs/dbraw/zinc/08/65/56/776086556.db2.gz QWEXIQPSDVUXKJ-YPMHNXCESA-N 1 0 251.326 1.282 20 10 CDCDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000809765901 776102964 /nfs/dbraw/zinc/10/29/64/776102964.db2.gz RPKJHEGOPVDXJP-DGCLKSJQSA-N 1 0 292.379 1.893 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1O ZINC000775137041 776218978 /nfs/dbraw/zinc/21/89/78/776218978.db2.gz QOYDMRARHJJPFB-YPMHNXCESA-N 1 0 265.353 1.830 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834697986 776239564 /nfs/dbraw/zinc/23/95/64/776239564.db2.gz SNWLPWCCYAABQT-UPJWGTAASA-N 1 0 274.364 1.884 20 10 CDCDRO COCC(COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000388410820 776368132 /nfs/dbraw/zinc/36/81/32/776368132.db2.gz XQVNJZMGZZMDAC-UHFFFAOYSA-N 1 0 253.342 1.755 20 10 CDCDRO CCOc1ccc(CN2CCN(C(C)C)C(=O)C2)c(O)c1 ZINC000780793590 776625387 /nfs/dbraw/zinc/62/53/87/776625387.db2.gz RZYKVBWEZBJTFN-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO Oc1c(F)cccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054521 776798369 /nfs/dbraw/zinc/79/83/69/776798369.db2.gz QBUNRDNIZGIOJX-NEPJUHHUSA-N 1 0 250.317 1.858 20 10 CDCDRO CCN1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1=O ZINC000722360884 776848500 /nfs/dbraw/zinc/84/85/00/776848500.db2.gz CJLMQWOKVYNVMX-HNNXBMFYSA-N 1 0 275.396 1.853 20 10 CDCDRO CC(C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109771713 776880157 /nfs/dbraw/zinc/88/01/57/776880157.db2.gz SGTCZEBYZWKYTR-GFCCVEGCSA-N 1 0 264.369 1.985 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000323076467 776939562 /nfs/dbraw/zinc/93/95/62/776939562.db2.gz XUJGZYQZDYNCPR-RYUDHWBXSA-N 1 0 263.385 1.928 20 10 CDCDRO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)c(O)c1O ZINC000780940512 777000542 /nfs/dbraw/zinc/00/05/42/777000542.db2.gz OTYWLXXRKGQICZ-GFCCVEGCSA-N 1 0 280.368 1.722 20 10 CDCDRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000886228580 777186214 /nfs/dbraw/zinc/18/62/14/777186214.db2.gz BOYHBBPQZKFKEE-RYUDHWBXSA-N 1 0 295.335 1.141 20 10 CDCDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(N)cc1 ZINC000841301086 777199785 /nfs/dbraw/zinc/19/97/85/777199785.db2.gz ZPNJCTKROIAVNM-AWEZNQCLSA-N 1 0 294.399 1.747 20 10 CDCDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000704516274 777253982 /nfs/dbraw/zinc/25/39/82/777253982.db2.gz PWHUPSCVUQBCOA-LBPRGKRZSA-N 1 0 250.342 1.772 20 10 CDCDRO CS[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840112510 777287411 /nfs/dbraw/zinc/28/74/11/777287411.db2.gz DFGRXBSKPGWQLY-MFKMUULPSA-N 1 0 281.377 1.755 20 10 CDCDRO C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000841882337 777353352 /nfs/dbraw/zinc/35/33/52/777353352.db2.gz JKGCNLYWPDAJSK-TZMCWYRMSA-N 1 0 290.411 1.817 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H]1CN(C)CCO1 ZINC000840935878 777513179 /nfs/dbraw/zinc/51/31/79/777513179.db2.gz DIRFJLWZPQIGMD-WMLDXEAASA-N 1 0 291.439 1.870 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2C(=O)CCC2=O)c1 ZINC000182366125 777615404 /nfs/dbraw/zinc/61/54/04/777615404.db2.gz FMRSYNNMVREQHC-JTQLQIEISA-N 1 0 292.335 1.200 20 10 CDCDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817945031 777636782 /nfs/dbraw/zinc/63/67/82/777636782.db2.gz RVLRFOLBVMWWNU-GXTWGEPZSA-N 1 0 293.386 1.675 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC3=[NH+]C[C@@H](C)N3)C2)cc1 ZINC000849043366 777688937 /nfs/dbraw/zinc/68/89/37/777688937.db2.gz ANRCTXHGFJLBPT-CHWSQXEVSA-N 1 0 288.395 1.459 20 10 CDCDRO O=C1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CN1C1CC1 ZINC000846205496 777711139 /nfs/dbraw/zinc/71/11/39/777711139.db2.gz HPIDBMVZIILMPG-SMDDNHRTSA-N 1 0 286.375 1.980 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000840932924 777810722 /nfs/dbraw/zinc/81/07/22/777810722.db2.gz WOFOHKWDSOFXQP-KRWDZBQOSA-N 1 0 292.423 1.938 20 10 CDCDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1F ZINC000862211387 777863535 /nfs/dbraw/zinc/86/35/35/777863535.db2.gz IERQQCOVJVYMSO-SECBINFHSA-N 1 0 283.322 1.338 20 10 CDCDRO CCS(=O)(=O)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000840973033 778015334 /nfs/dbraw/zinc/01/53/34/778015334.db2.gz CAGLQTZWWKEVBK-UHFFFAOYSA-N 1 0 284.425 1.667 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CCc2c[nH]nn2)cc1 ZINC000852212053 778041802 /nfs/dbraw/zinc/04/18/02/778041802.db2.gz SMWLCZDASLGKQX-UHFFFAOYSA-N 1 0 289.383 1.424 20 10 CDCDRO CCOc1cccc(C[NH2+]CCN2CCC2)c1O ZINC000700097538 778089540 /nfs/dbraw/zinc/08/95/40/778089540.db2.gz OMOAHQLOOYIGKA-UHFFFAOYSA-N 1 0 250.342 1.586 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)CN2CCCC2=O)c(O)c1 ZINC000876949880 778165656 /nfs/dbraw/zinc/16/56/56/778165656.db2.gz BQOLXKCZQTXPJQ-GFCCVEGCSA-N 1 0 262.353 1.801 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000818977069 778243127 /nfs/dbraw/zinc/24/31/27/778243127.db2.gz AALUMWVWKOQIEY-SCXUMTSISA-N 1 0 290.363 1.664 20 10 CDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(OC)c(OC)cc1O ZINC000843122262 778290261 /nfs/dbraw/zinc/29/02/61/778290261.db2.gz PUBCPJLJNYGUKG-RYUDHWBXSA-N 1 0 298.358 1.541 20 10 CDCDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnccn1 ZINC000817938538 778312903 /nfs/dbraw/zinc/31/29/03/778312903.db2.gz MRAQUXNDJLLKPD-SWLSCSKDSA-N 1 0 285.395 1.893 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c(O)c1 ZINC000832178881 778324912 /nfs/dbraw/zinc/32/49/12/778324912.db2.gz YSXBOOQKIZZABT-XJKSGUPXSA-N 1 0 292.379 1.925 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846157963 778333046 /nfs/dbraw/zinc/33/30/46/778333046.db2.gz QKJBBOFLAWJORN-MNOVXSKESA-N 1 0 269.341 1.449 20 10 CDCDRO CN(C)c1ccc(CN2CCO[C@H](C[NH3+])C2)cc1F ZINC000843071280 778344349 /nfs/dbraw/zinc/34/43/49/778344349.db2.gz ZYIDHNGGSXBYKA-GFCCVEGCSA-N 1 0 267.348 1.051 20 10 CDCDRO C[C@@H]1COCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000398948056 778383365 /nfs/dbraw/zinc/38/33/65/778383365.db2.gz QMEIWCQKASNFDZ-SNVBAGLBSA-N 1 0 265.309 1.732 20 10 CDCDRO CC[C@@H](C(=O)N[C@H](C)c1ccccc1O)[NH+](C)C ZINC000827937438 778402836 /nfs/dbraw/zinc/40/28/36/778402836.db2.gz WTLPLAVKDLSMPN-PWSUYJOCSA-N 1 0 250.342 1.910 20 10 CDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000126920241 778408552 /nfs/dbraw/zinc/40/85/52/778408552.db2.gz QASAFGSDUBTUJW-SWLSCSKDSA-N 1 0 275.396 1.757 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1Cl ZINC000825186090 778411415 /nfs/dbraw/zinc/41/14/15/778411415.db2.gz VYKIRQLKPMKPHK-SNVBAGLBSA-N 1 0 268.744 1.674 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C2(CO)CCC2)c1 ZINC000827903197 778592359 /nfs/dbraw/zinc/59/23/59/778592359.db2.gz FIZNKIWAUQIDSI-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000832750111 778652195 /nfs/dbraw/zinc/65/21/95/778652195.db2.gz JREKUJULAVBIBA-DGCLKSJQSA-N 1 0 261.369 1.397 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1C ZINC000704343258 778811098 /nfs/dbraw/zinc/81/10/98/778811098.db2.gz SWVAXEUDWZGQTQ-CYBMUJFWSA-N 1 0 262.353 1.714 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000169104239 778826237 /nfs/dbraw/zinc/82/62/37/778826237.db2.gz LYHRRKZVVFZCCO-CQSZACIVSA-N 1 0 275.396 1.819 20 10 CDCDRO Nc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237857133 778836397 /nfs/dbraw/zinc/83/63/97/778836397.db2.gz GYMGSAKDFCXCLX-LLVKDONJSA-N 1 0 251.355 1.302 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)c1O ZINC000866679715 778882010 /nfs/dbraw/zinc/88/20/10/778882010.db2.gz VRWRGSWQYBRHGQ-RYUDHWBXSA-N 1 0 264.300 1.280 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000310917339 778892666 /nfs/dbraw/zinc/89/26/66/778892666.db2.gz FIEMYFPAFLTCCY-CQSZACIVSA-N 1 0 251.326 1.651 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2([S@@](C)=O)CC2)cc1 ZINC000380263200 778903394 /nfs/dbraw/zinc/90/33/94/778903394.db2.gz YCUYGAFIBLGARX-GOSISDBHSA-N 1 0 266.410 1.753 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(F)cc1[O-] ZINC000062746649 778935909 /nfs/dbraw/zinc/93/59/09/778935909.db2.gz AUHOKNXOYCVGFZ-BXKDBHETSA-N 1 0 266.316 1.851 20 10 CDCDRO Cc1cccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC000783723997 779012237 /nfs/dbraw/zinc/01/22/37/779012237.db2.gz SIYXMMRVIXVZEY-UHFFFAOYSA-N 1 0 276.336 1.775 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1 ZINC000817413269 779319699 /nfs/dbraw/zinc/31/96/99/779319699.db2.gz VKJSBPCBLQYBAY-NEPJUHHUSA-N 1 0 265.353 1.851 20 10 CDCDRO COc1cccc(O)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000787307361 779320598 /nfs/dbraw/zinc/32/05/98/779320598.db2.gz VEHOZCZOBTXZQB-TXEJJXNPSA-N 1 0 262.353 1.394 20 10 CDCDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000817942450 779340847 /nfs/dbraw/zinc/34/08/47/779340847.db2.gz OXKQUZFLSZGXHP-LRDDRELGSA-N 1 0 287.411 1.837 20 10 CDCDRO C[NH2+][C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955713 779377248 /nfs/dbraw/zinc/37/72/48/779377248.db2.gz KZUKJAMCHRHYFT-CQSZACIVSA-N 1 0 276.384 1.205 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000876595770 779626052 /nfs/dbraw/zinc/62/60/52/779626052.db2.gz KOTVJCSMKMJZMT-AWEZNQCLSA-N 1 0 274.364 1.944 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccco2)cc1 ZINC000832285214 779660989 /nfs/dbraw/zinc/66/09/89/779660989.db2.gz PSTMSHKCDAEMOO-CYBMUJFWSA-N 1 0 273.336 1.775 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2ccc(C)cc2O)cn1 ZINC000877498220 779729263 /nfs/dbraw/zinc/72/92/63/779729263.db2.gz OAEZUGIJTFYWCG-UHFFFAOYSA-N 1 0 275.352 1.833 20 10 CDCDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C)c(O)c1O ZINC000836947835 779755909 /nfs/dbraw/zinc/75/59/09/779755909.db2.gz MIHIDDCLWHIVLG-LBPRGKRZSA-N 1 0 292.379 1.963 20 10 CDCDRO Cc1ccc(C[NH2+]CCOC[C@H]2CCCO2)c(O)c1 ZINC000877045096 779814275 /nfs/dbraw/zinc/81/42/75/779814275.db2.gz PNIJIUZFVQCZTH-CQSZACIVSA-N 1 0 265.353 1.986 20 10 CDCDRO CCCOc1ccc(C[NH2+]CC2(CO)COC2)cc1C ZINC000873093526 779856079 /nfs/dbraw/zinc/85/60/79/779856079.db2.gz SQPAITSKZHABPW-UHFFFAOYSA-N 1 0 279.380 1.882 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1OC ZINC000827700631 780066823 /nfs/dbraw/zinc/06/68/23/780066823.db2.gz WAQAESVXLMTRCN-MEDUHNTESA-N 1 0 295.379 1.860 20 10 CDCDRO Cc1ccc(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(O)c1 ZINC000877458264 780072023 /nfs/dbraw/zinc/07/20/23/780072023.db2.gz NVIRSQKNLFSHEU-CQSZACIVSA-N 1 0 292.423 1.978 20 10 CDCDRO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000399412548 780084121 /nfs/dbraw/zinc/08/41/21/780084121.db2.gz WUXWUOIRHJKQNC-WFASDCNBSA-N 1 0 277.412 1.988 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)NCCCSc1nccs1 ZINC000876662685 780125946 /nfs/dbraw/zinc/12/59/46/780125946.db2.gz QIFIJHXICVMDHL-SECBINFHSA-N 1 0 273.427 1.740 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)c1ccccc1O ZINC000877256003 780155566 /nfs/dbraw/zinc/15/55/66/780155566.db2.gz MEOUMXIBEFTPNY-ZWNOBZJWSA-N 1 0 262.353 1.958 20 10 CDCDRO CC[N@@H+]1CC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173357340 912471017 /nfs/dbraw/zinc/47/10/17/912471017.db2.gz OQTUWAUKKLULBX-INIZCTEOSA-N 1 0 289.423 1.911 20 10 CDCDRO Oc1ccc(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)c(O)c1 ZINC001173741310 912773619 /nfs/dbraw/zinc/77/36/19/912773619.db2.gz WLQFBCKWHZXANJ-NEPJUHHUSA-N 1 0 289.339 1.358 20 10 CDCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173769537 912833527 /nfs/dbraw/zinc/83/35/27/912833527.db2.gz NBGYLACBUMDKLX-UONOGXRCSA-N 1 0 287.367 1.994 20 10 CDCDRO CCOC[C@H]1CN(Cc2ccc(N)cc2)CCO1 ZINC000705863831 894803805 /nfs/dbraw/zinc/80/38/05/894803805.db2.gz MPVPHCKHDVFYRL-CQSZACIVSA-N 1 0 250.342 1.506 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1O ZINC001140741667 898157308 /nfs/dbraw/zinc/15/73/08/898157308.db2.gz ACQCFFQGXBZMMR-PWSUYJOCSA-N 1 0 269.316 1.559 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@]23CCN(C)C3=O)c1O ZINC001272660407 914501019 /nfs/dbraw/zinc/50/10/19/914501019.db2.gz QWPLPQCVCKJMEY-MRXNPFEDSA-N 1 0 290.363 1.603 20 10 CDCDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001270069535 904324303 /nfs/dbraw/zinc/32/43/03/904324303.db2.gz MZFVDKLHOCAFKF-FGWVZKOKSA-N 1 0 292.335 1.158 20 10 CDCDRO CC1([NH3+])CN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001204993657 905759926 /nfs/dbraw/zinc/75/99/26/905759926.db2.gz LEXWZNDBABSOEQ-UHFFFAOYSA-N 1 0 295.814 1.710 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206432438 916622801 /nfs/dbraw/zinc/62/28/01/916622801.db2.gz BWNAIYSSRYCZJS-NWDGAFQWSA-N 1 0 267.348 1.329 20 10 CDCDRO C[C@]1(O)COCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137832840 936417756 /nfs/dbraw/zinc/41/77/56/936417756.db2.gz JWHMEPWXNFWCAI-CYBMUJFWSA-N 1 0 255.289 1.115 20 10 CDCDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c2ccccc2n1C ZINC001138252855 936501728 /nfs/dbraw/zinc/50/17/28/936501728.db2.gz WYXYYKDDLRBYLW-CXAGYDPISA-N 1 0 288.391 1.662 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)N(C)CC2)c1O ZINC001140178909 936684461 /nfs/dbraw/zinc/68/44/61/936684461.db2.gz BYZPYEUUJOENQD-UHFFFAOYSA-N 1 0 262.353 1.673 20 10 CDCDRO COC(=O)[C@H]1CCCN1Cc1c(O)cc(OC)cc1OC ZINC001141026312 936794431 /nfs/dbraw/zinc/79/44/31/936794431.db2.gz LEDGVDYJHNCDSL-GFCCVEGCSA-N 1 0 295.335 1.547 20 10 CDCDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(O)ccc1O ZINC001141160310 936822512 /nfs/dbraw/zinc/82/25/12/936822512.db2.gz VBHQFLCJZJOMPJ-CHWSQXEVSA-N 1 0 276.336 1.293 20 10 CDCDRO CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(O)ccc1O ZINC001141157026 936821235 /nfs/dbraw/zinc/82/12/35/936821235.db2.gz ASJODVMVFGXFNT-ABAIWWIYSA-N 1 0 277.320 1.625 20 10 CDCDRO CC[NH+](CC)CCN(C)Cc1cc(O)ccc1O ZINC001141156075 936821610 /nfs/dbraw/zinc/82/16/10/936821610.db2.gz PJYYOYCXKDDKLR-UHFFFAOYSA-N 1 0 252.358 1.871 20 10 CDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140882 936818735 /nfs/dbraw/zinc/81/87/35/936818735.db2.gz QPIYLSOCDNUVIJ-JSGCOSHPSA-N 1 0 276.380 1.718 20 10 CDCDRO C[C@@H]1COCC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140892 936818760 /nfs/dbraw/zinc/81/87/60/936818760.db2.gz RCGJXUFYNIBBBG-ZDUSSCGKSA-N 1 0 276.380 1.984 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H]12 ZINC001141162849 936824054 /nfs/dbraw/zinc/82/40/54/936824054.db2.gz HOFWVPJBNGONLB-MFKMUULPSA-N 1 0 261.321 1.899 20 10 CDCDRO CCOCCOCC[NH2+]Cc1cc(C)ccc1O 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COC(=O)C1(O)CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231595333 942938212 /nfs/dbraw/zinc/93/82/12/942938212.db2.gz WZORDLUOFKFCNW-UHFFFAOYSA-N 1 0 279.336 1.201 20 10 CDCDRO CNC(=O)NC1CC[NH+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231851071 943029119 /nfs/dbraw/zinc/02/91/19/943029119.db2.gz YYUOJMPUNMOYAN-UHFFFAOYSA-N 1 0 291.395 1.902 20 10 CDCDRO Oc1cc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)cc1Cl ZINC001232266237 943194317 /nfs/dbraw/zinc/19/43/17/943194317.db2.gz SFPMIWUPEUFQOS-SNVBAGLBSA-N 1 0 268.744 1.641 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c(O)c1 ZINC001232835507 943414240 /nfs/dbraw/zinc/41/42/40/943414240.db2.gz DFRISPWBBCYROS-CQSZACIVSA-N 1 0 264.369 1.805 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c(O)c1 ZINC001232836615 943414604 /nfs/dbraw/zinc/41/46/04/943414604.db2.gz RLEKSSPKUDUKNU-LSDHHAIUSA-N 1 0 282.359 1.753 20 10 CDCDRO Oc1cc(C[N@@H+]2CCC[C@@]23CCOC3)cc(O)c1O ZINC001233017462 943464973 /nfs/dbraw/zinc/46/49/73/943464973.db2.gz WQNGBWQDOALZEU-AWEZNQCLSA-N 1 0 265.309 1.558 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC001233074740 943485510 /nfs/dbraw/zinc/48/55/10/943485510.db2.gz VMVXUOPKNULJHK-LDYMZIIASA-N 1 0 257.280 1.873 20 10 CDCDRO [O-]c1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001233335498 943547958 /nfs/dbraw/zinc/54/79/58/943547958.db2.gz YDCOQEAPOFLLCH-QPUJVOFHSA-N 1 0 255.264 1.891 20 10 CDCDRO Oc1cc(Cl)ccc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235075960 944044595 /nfs/dbraw/zinc/04/45/95/944044595.db2.gz QRRBZIGEFVLHJQ-VXGBXAGGSA-N 1 0 252.745 1.982 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+][C@@H](CO)C2)cc1 ZINC001235753072 944267115 /nfs/dbraw/zinc/26/71/15/944267115.db2.gz YBIAKYQPVMGCDD-QGZVFWFLSA-N 1 0 299.418 1.860 20 10 CDCDRO CCOc1cccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235983374 944347113 /nfs/dbraw/zinc/34/71/13/944347113.db2.gz ZNHPIUFZDKPCJT-DOMZBBRYSA-N 1 0 262.353 1.714 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235994785 944360877 /nfs/dbraw/zinc/36/08/77/944360877.db2.gz UMGWELCEWPGATQ-QMTHXVAHSA-N 1 0 282.771 1.977 20 10 CDCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CNC(C)(C)O1 ZINC001236044558 944387924 /nfs/dbraw/zinc/38/79/24/944387924.db2.gz NZFVXNKJBOOMEM-ZDUSSCGKSA-N 1 0 264.369 1.939 20 10 CDCDRO COC(=O)c1c(CN2C[C@@H]3C[NH2+]C[C@H]32)c2ccccc2n1C ZINC001236290449 944448302 /nfs/dbraw/zinc/44/83/02/944448302.db2.gz MBAHCJKJZKZDDX-XHDPSFHLSA-N 1 0 299.374 1.369 20 10 CDCDRO COc1cc(O)c(CN2CC(C)([NH+](C)C)C2)cc1OC ZINC001236752803 944558211 /nfs/dbraw/zinc/55/82/11/944558211.db2.gz VIYMQEDAYPEQOA-UHFFFAOYSA-N 1 0 280.368 1.545 20 10 CDCDRO CCc1ccc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c(O)c1 ZINC001236794233 944570543 /nfs/dbraw/zinc/57/05/43/944570543.db2.gz JYHLCCWTBWZNQE-OAHLLOKOSA-N 1 0 290.407 1.860 20 10 CDCDRO Oc1ccc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1O ZINC001237379916 944737555 /nfs/dbraw/zinc/73/75/55/944737555.db2.gz DRYBHDUTUNKAKG-CHWSQXEVSA-N 1 0 262.353 1.672 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001237484314 944810765 /nfs/dbraw/zinc/81/07/65/944810765.db2.gz BHPBCZDJYOLVBQ-DUVNUKRYSA-N 1 0 277.364 1.672 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001237494458 944818231 /nfs/dbraw/zinc/81/82/31/944818231.db2.gz JBYSTKKXFPTZHE-UHFFFAOYSA-N 1 0 274.364 1.945 20 10 CDCDRO COc1cc(CN2CC[NH+]3CCC2CC3)c(O)c(OC)c1 ZINC001237672734 944918839 /nfs/dbraw/zinc/91/88/39/944918839.db2.gz AEDDUFJIOWAEHP-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c(OC)c1 ZINC001237675100 944920938 /nfs/dbraw/zinc/92/09/38/944920938.db2.gz TXZUADAPPFLOBM-LLVKDONJSA-N 1 0 281.352 1.614 20 10 CDCDRO C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC001261424575 946112554 /nfs/dbraw/zinc/11/25/54/946112554.db2.gz XYBLHXLNGXNJPO-GHMZBOCLSA-N 1 0 280.368 1.827 20 10 CDCDRO C[N@@H+]1CCC[C@@H](NCC(=O)c2ccc(O)c(O)c2)CC1 ZINC001254507548 947468705 /nfs/dbraw/zinc/46/87/05/947468705.db2.gz MMLOTZSJCPMZLG-GFCCVEGCSA-N 1 0 278.352 1.354 20 10 CDCDRO C[C@@H]1CC[C@@H](N2CCCc3cc(O)c(O)cc3C2)C[NH2+]1 ZINC001246875924 948497875 /nfs/dbraw/zinc/49/78/75/948497875.db2.gz JOLOFYMCYYGTKV-BXUZGUMPSA-N 1 0 276.380 1.987 20 10 CDCDRO CCOC(=O)CC[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC001258481316 948874379 /nfs/dbraw/zinc/87/43/79/948874379.db2.gz JOSLAVNVBNRJII-SNVBAGLBSA-N 1 0 267.325 1.919 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001249173704 949444091 /nfs/dbraw/zinc/44/40/91/949444091.db2.gz VKFQXBGHWXNKKK-BXUZGUMPSA-N 1 0 293.363 1.310 20 10 CDCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001325843757 954101118 /nfs/dbraw/zinc/10/11/18/954101118.db2.gz HDCCMMQYNYVKRQ-NWDGAFQWSA-N 1 0 296.386 1.646 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCOC[C@H]1O ZINC001330697723 956573086 /nfs/dbraw/zinc/57/30/86/956573086.db2.gz LEIJAVVZKPJLEM-HKUMRIAESA-N 1 0 277.364 1.988 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1OC ZINC001308805621 956581914 /nfs/dbraw/zinc/58/19/14/956581914.db2.gz ZFPLJWZSLOKNMO-OAHLLOKOSA-N 1 0 294.351 1.168 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CNCCO1 ZINC001331835583 957290657 /nfs/dbraw/zinc/29/06/57/957290657.db2.gz RIBGSHBEUZESPV-UPJWGTAASA-N 1 0 276.380 1.827 20 10 CDCDRO COc1ccc(C[NH2+]Cc2snnc2C)c(O)c1OC ZINC001333778119 958588998 /nfs/dbraw/zinc/58/89/98/958588998.db2.gz ZVHLVZGVBQZGJM-UHFFFAOYSA-N 1 0 295.364 1.859 20 10 CDCDRO CCOc1ccc(N2CC[NH+](CCC(=O)NC)CC2)cc1 ZINC001319846394 958752297 /nfs/dbraw/zinc/75/22/97/958752297.db2.gz AYHPRCMJSZSCFF-UHFFFAOYSA-N 1 0 291.395 1.343 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1ccccc1O ZINC001320137182 958964696 /nfs/dbraw/zinc/96/46/96/958964696.db2.gz LMTOSMVLHCIQRZ-CYBMUJFWSA-N 1 0 278.396 1.747 20 10 CDCDRO CCOCCOCC[N@H+](C)Cc1ccc(N)cc1 ZINC001335289994 959685613 /nfs/dbraw/zinc/68/56/13/959685613.db2.gz QWJFMDIZEXGUHM-UHFFFAOYSA-N 1 0 252.358 1.754 20 10 CDCDRO C[C@@H](CNC(=O)NCc1ccc(N)cc1)C[NH+]1CCCC1 ZINC001335400740 959777273 /nfs/dbraw/zinc/77/72/73/959777273.db2.gz SKKJZXQPIKFGDG-ZDUSSCGKSA-N 1 0 290.411 1.800 20 10 CDCDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001343567883 964042501 /nfs/dbraw/zinc/04/25/01/964042501.db2.gz UIXBJIYUVXYQNV-UKRRQHHQSA-N 1 0 261.369 1.793 20 10 CDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001344820653 964444877 /nfs/dbraw/zinc/44/48/77/964444877.db2.gz BHDSMHSUNNPGQF-SKDRFNHKSA-N 1 0 266.316 1.536 20 10 CDCDRO CN1CCN(c2ccc(C[NH2+]C/C=C\CO)cc2F)CC1 ZINC001347357693 965486544 /nfs/dbraw/zinc/48/65/44/965486544.db2.gz SLCSHLHDMGBXSI-IHWYPQMZSA-N 1 0 293.386 1.216 20 10 CDCDRO Nc1ccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC001356228060 969361849 /nfs/dbraw/zinc/36/18/49/969361849.db2.gz NKMYEYAOEJYJND-GOSISDBHSA-N 1 0 295.386 1.816 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC001573786569 1170775731 /nfs/dbraw/zinc/77/57/31/1170775731.db2.gz VRTRVDHIWCRFQO-CQSZACIVSA-N 1 0 287.331 1.196 20 10 CDCDRO C[NH2+]C1CCN(Cc2c(C)cc(OC)cc2O)CC1 ZINC001578607336 1171962101 /nfs/dbraw/zinc/96/21/01/1171962101.db2.gz YVBKOOLZNSJNLM-UHFFFAOYSA-N 1 0 264.369 1.893 20 10 CDCDRO C[C@H]([NH2+]C1CC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294878023 363468298 /nfs/dbraw/zinc/46/82/98/363468298.db2.gz XEHNVYSSHCHYKI-LBPRGKRZSA-N 1 0 275.396 1.852 20 10 CDCDRO Cc1cccc(C[NH2+]CCCN2CCOCC2)c1O ZINC000083478843 357100321 /nfs/dbraw/zinc/10/03/21/357100321.db2.gz DPDKKWUEEGPUQM-UHFFFAOYSA-N 1 0 264.369 1.513 20 10 CDCDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179937747 357231951 /nfs/dbraw/zinc/23/19/51/357231951.db2.gz FLSYOMYGVWVCDY-CYBMUJFWSA-N 1 0 278.327 1.774 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)C2)cc1OC ZINC000180377337 357265717 /nfs/dbraw/zinc/26/57/17/357265717.db2.gz SGTAFGLHBGYORT-OAHLLOKOSA-N 1 0 281.352 1.756 20 10 CDCDRO Cc1cccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c1O ZINC000180528572 357274704 /nfs/dbraw/zinc/27/47/04/357274704.db2.gz VOCDGVMXOJOAHO-UHFFFAOYSA-N 1 0 285.347 1.353 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000188046419 357838758 /nfs/dbraw/zinc/83/87/58/357838758.db2.gz MDABJXNPXKNPQK-SECBINFHSA-N 1 0 254.305 1.488 20 10 CDCDRO C[N@H+](Cc1cc(F)ccc1O)CC1(O)CCOCC1 ZINC000188841670 357943182 /nfs/dbraw/zinc/94/31/82/357943182.db2.gz SEIPVQJWPSOHMX-UHFFFAOYSA-N 1 0 269.316 1.505 20 10 CDCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(F)ccc1O ZINC000226615452 359705168 /nfs/dbraw/zinc/70/51/68/359705168.db2.gz JLXAOZBMJIHEPA-HUTHGQBESA-N 1 0 259.346 1.778 20 10 CDCDRO C[NH+](C)CC1(NC(=O)c2cccc(O)c2O)CCC1 ZINC000281647970 363824808 /nfs/dbraw/zinc/82/48/08/363824808.db2.gz HXRSYVCEFPSGIV-UHFFFAOYSA-N 1 0 264.325 1.312 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000168867893 365008734 /nfs/dbraw/zinc/00/87/34/365008734.db2.gz CRCXFTRKWGOHBI-AUSHCKSDSA-N 1 0 271.382 1.818 20 10 CDCDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272247677 365150773 /nfs/dbraw/zinc/15/07/73/365150773.db2.gz HRUIFLZJBPWCQP-JTQLQIEISA-N 1 0 252.289 1.229 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000272830986 365414721 /nfs/dbraw/zinc/41/47/21/365414721.db2.gz HWTBDOWGEPSCBE-STQMWFEESA-N 1 0 264.369 1.764 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000282247314 367794160 /nfs/dbraw/zinc/79/41/60/367794160.db2.gz OJUWEFRXHHFKEG-CYBMUJFWSA-N 1 0 253.342 1.491 20 10 CDCDRO Oc1cc2c(cc1CN1CCOC[C@@]13CCOC3)OCO2 ZINC000282445786 367889582 /nfs/dbraw/zinc/88/95/82/367889582.db2.gz UTMHNZASHAJPQO-HNNXBMFYSA-N 1 0 293.319 1.112 20 10 CDCDRO Cc1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)ccc1N(C)C ZINC000294502490 371066854 /nfs/dbraw/zinc/06/68/54/371066854.db2.gz IHOCTSUZNDHIGA-UHFFFAOYSA-N 1 0 298.390 1.703 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Cl)ccc1O ZINC000295815212 378708893 /nfs/dbraw/zinc/70/88/93/378708893.db2.gz BIPSRAFOOAGPEZ-HNBZJPLGSA-N 1 0 257.717 1.456 20 10 CDCDRO C[N@H+](CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000109769838 390648427 /nfs/dbraw/zinc/64/84/27/390648427.db2.gz STCCBSUCQNRNOE-UHFFFAOYSA-N 1 0 262.353 1.837 20 10 CDCDRO Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c(O)c1O ZINC000177672348 391173845 /nfs/dbraw/zinc/17/38/45/391173845.db2.gz FUPZCZHSXWDPJF-NSHDSACASA-N 1 0 292.379 1.868 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296584766 397638164 /nfs/dbraw/zinc/63/81/64/397638164.db2.gz UPXCAMUMQGCSLQ-NEPJUHHUSA-N 1 0 298.408 1.297 20 10 CDCDRO COc1cc(O)c(C[NH+]2CCC(C)(O)CC2)cc1OC ZINC000179447246 397892955 /nfs/dbraw/zinc/89/29/55/397892955.db2.gz ZBEWGIOOJFQKMS-UHFFFAOYSA-N 1 0 281.352 1.756 20 10 CDCDRO CC1CC[NH+](CC(=O)N(C)c2ccc(N)cc2)CC1 ZINC000037271951 173082966 /nfs/dbraw/zinc/08/29/66/173082966.db2.gz KVDZKLNLKPNOAV-UHFFFAOYSA-N 1 0 261.369 1.964 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)COC)cc1F ZINC000152278053 261062771 /nfs/dbraw/zinc/06/27/71/261062771.db2.gz XHGPCYULMPUXAZ-CYBMUJFWSA-N 1 0 284.375 1.769 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CCOC2)cc1OC ZINC000160362965 261212080 /nfs/dbraw/zinc/21/20/80/261212080.db2.gz YCMDDCPVMURFIC-LLVKDONJSA-N 1 0 281.352 1.878 20 10 CDCDRO CN1CCCc2cc(CNC(=O)CCC[NH3+])ccc21 ZINC000166478460 261390440 /nfs/dbraw/zinc/39/04/40/261390440.db2.gz RIOKJDVEEIUVHC-UHFFFAOYSA-N 1 0 261.369 1.424 20 10 CDCDRO CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1O ZINC000183330107 261484453 /nfs/dbraw/zinc/48/44/53/261484453.db2.gz GVVINHOHRMFQBU-CYBMUJFWSA-N 1 0 262.353 1.959 20 10 CDCDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1O ZINC000183460819 261492340 /nfs/dbraw/zinc/49/23/40/261492340.db2.gz YVLSSQDPXIGBMH-LLVKDONJSA-N 1 0 250.342 1.911 20 10 CDCDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1cc(Cl)ccc1O ZINC000185200988 262046179 /nfs/dbraw/zinc/04/61/79/262046179.db2.gz SBQNVAKPPFFDEK-QMMMGPOBSA-N 1 0 297.742 1.248 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000185781155 262070832 /nfs/dbraw/zinc/07/08/32/262070832.db2.gz UFRWNLINKPPRSO-LBPRGKRZSA-N 1 0 264.325 1.713 20 10 CDCDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cc(Cl)ccc1O ZINC000186235198 262085055 /nfs/dbraw/zinc/08/50/55/262085055.db2.gz FEMDBVUHRHWVRS-JTQLQIEISA-N 1 0 298.770 1.555 20 10 CDCDRO C[C@@H]([NH2+]CCCOCCO)c1cc(F)ccc1O ZINC000186514608 262096500 /nfs/dbraw/zinc/09/65/00/262096500.db2.gz HPQLQOURCLZFLW-SNVBAGLBSA-N 1 0 257.305 1.581 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000271164456 262994222 /nfs/dbraw/zinc/99/42/22/262994222.db2.gz BRSZIMIYZXACOG-LBPRGKRZSA-N 1 0 278.352 1.453 20 10 CDCDRO Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)c(O)c1O ZINC000272835965 263009290 /nfs/dbraw/zinc/00/92/90/263009290.db2.gz QPVUGHAYECMOOF-VIFPVBQESA-N 1 0 252.314 1.086 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000368971715 267215446 /nfs/dbraw/zinc/21/54/46/267215446.db2.gz CUWPPFYGUKTQIS-ZKYQVNSYSA-N 1 0 290.363 1.487 20 10 CDCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCNC1=O ZINC000281833646 276354214 /nfs/dbraw/zinc/35/42/14/276354214.db2.gz SHASPZRFYNNITD-NSHDSACASA-N 1 0 264.325 1.111 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000278575966 520368206 /nfs/dbraw/zinc/36/82/06/520368206.db2.gz FEAJQRIOXLPWMG-MLGOLLRUSA-N 1 0 295.379 1.811 20 10 CDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000234898764 522305612 /nfs/dbraw/zinc/30/56/12/522305612.db2.gz SBQGNBPUBUKLFP-NXEZZACHSA-N 1 0 255.314 1.059 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000040855890 522325732 /nfs/dbraw/zinc/32/57/32/522325732.db2.gz YXJXPCBFSHCJRK-HNNXBMFYSA-N 1 0 291.395 1.219 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000234915183 522537031 /nfs/dbraw/zinc/53/70/31/522537031.db2.gz IYPWABMOQZDZKB-CQSZACIVSA-N 1 0 298.770 1.752 20 10 CDCDRO COC[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000234786862 522684964 /nfs/dbraw/zinc/68/49/64/522684964.db2.gz JZWSCKHUYUQJOK-JTQLQIEISA-N 1 0 275.732 1.151 20 10 CDCDRO CC[C@]1(C(=O)N(C)Cc2ccccc2O)CCC[NH2+]1 ZINC000128941619 523534062 /nfs/dbraw/zinc/53/40/62/523534062.db2.gz IAZGHIUEOBYXFD-OAHLLOKOSA-N 1 0 262.353 1.883 20 10 CDCDRO C[NH+]1CCC(CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000157217130 523757271 /nfs/dbraw/zinc/75/72/71/523757271.db2.gz FAWFDQKFAHEPRJ-UHFFFAOYSA-N 1 0 275.396 1.659 20 10 CDCDRO COCCO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000275627310 524032976 /nfs/dbraw/zinc/03/29/76/524032976.db2.gz SSRUISICRREGPW-GFCCVEGCSA-N 1 0 295.335 1.358 20 10 CDCDRO CNC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299218819 524066802 /nfs/dbraw/zinc/06/68/02/524066802.db2.gz YLBRIGJPIAOBMW-UHFFFAOYSA-N 1 0 275.396 1.853 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000290215375 524437381 /nfs/dbraw/zinc/43/73/81/524437381.db2.gz QZRGHWBJCBYLGL-CMPLNLGQSA-N 1 0 269.366 1.223 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000281010306 524753603 /nfs/dbraw/zinc/75/36/03/524753603.db2.gz YMEILJIZRUDXHW-YPMHNXCESA-N 1 0 281.352 1.135 20 10 CDCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1O ZINC000228094872 525057181 /nfs/dbraw/zinc/05/71/81/525057181.db2.gz KLRHJCUOFNMSKH-RNCFNFMXSA-N 1 0 255.289 1.161 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(F)ccc1O ZINC000094617126 525588174 /nfs/dbraw/zinc/58/81/74/525588174.db2.gz IUXPEGPWHQWBRY-BDAKNGLRSA-N 1 0 254.305 1.659 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000364839496 525958729 /nfs/dbraw/zinc/95/87/29/525958729.db2.gz BUYOEKVPWOMZPZ-QWRGUYRKSA-N 1 0 255.289 1.306 20 10 CDCDRO [NH3+]CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000370777704 527157117 /nfs/dbraw/zinc/15/71/17/527157117.db2.gz ALEXPCSGHLIQKJ-UHFFFAOYSA-N 1 0 299.321 1.332 20 10 CDCDRO Nc1ccc(CC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000037816792 527475601 /nfs/dbraw/zinc/47/56/01/527475601.db2.gz PJDFBQZPHKXPKZ-UHFFFAOYSA-N 1 0 273.380 1.366 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=S)NCC[NH+](C)C)c1 ZINC000728792664 574647678 /nfs/dbraw/zinc/64/76/78/574647678.db2.gz MIZRUUAEXUUVQD-JTQLQIEISA-N 1 0 297.424 1.488 20 10 CDCDRO C[C@H](NC(=S)NCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000774252914 575191461 /nfs/dbraw/zinc/19/14/61/575191461.db2.gz XPJGUGQARBNDNT-LBPRGKRZSA-N 1 0 294.468 1.839 20 10 CDCDRO CC(C)(CO)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000770511079 575458405 /nfs/dbraw/zinc/45/84/05/575458405.db2.gz YXTDHVSIHMTQAW-UHFFFAOYSA-N 1 0 264.369 1.281 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000770751726 575495237 /nfs/dbraw/zinc/49/52/37/575495237.db2.gz AOYONOIIEPLJEZ-LRDDRELGSA-N 1 0 293.363 1.829 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765797232 576056965 /nfs/dbraw/zinc/05/69/65/576056965.db2.gz QXHOGQAVJAMONY-GXTWGEPZSA-N 1 0 293.386 1.896 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000768842892 576312360 /nfs/dbraw/zinc/31/23/60/576312360.db2.gz ZBDUAKMZBYWRLS-LBPRGKRZSA-N 1 0 291.347 1.935 20 10 CDCDRO COc1cccc(O)c1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000769302234 576343853 /nfs/dbraw/zinc/34/38/53/576343853.db2.gz QDPLQVOKRYXPLR-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO OCCC[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000769404780 576352151 /nfs/dbraw/zinc/35/21/51/576352151.db2.gz PQDJHSIEVKRJSV-UHFFFAOYSA-N 1 0 265.309 1.468 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCN(C)C2)c2c1c(F)ccc2O ZINC000762787614 576672262 /nfs/dbraw/zinc/67/22/62/576672262.db2.gz MXKLMPVKGIOCSM-RSAASHCRSA-N 1 0 294.370 1.736 20 10 CDCDRO CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000762790185 576672638 /nfs/dbraw/zinc/67/26/38/576672638.db2.gz XZZJBQCTCSUADW-IRXDYDNUSA-N 1 0 291.439 1.860 20 10 CDCDRO C[NH+](C)CCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000756327977 576986142 /nfs/dbraw/zinc/98/61/42/576986142.db2.gz XXXUMGOJQOGWGK-HNNXBMFYSA-N 1 0 278.396 1.935 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)c2c1c(F)ccc2O ZINC000756524599 576993784 /nfs/dbraw/zinc/99/37/84/576993784.db2.gz HOPRLCIFOBKOBH-KKZNHRDASA-N 1 0 278.327 1.900 20 10 CDCDRO [NH3+]C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000892025449 617421046 /nfs/dbraw/zinc/42/10/46/617421046.db2.gz XHXSCAUSBPMHJM-GFCCVEGCSA-N 1 0 261.325 1.155 20 10 CDCDRO C[NH2+]C[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000892038148 617430409 /nfs/dbraw/zinc/43/04/09/617430409.db2.gz ALICBGFBTVLYNO-OAHLLOKOSA-N 1 0 290.411 1.595 20 10 CDCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccccc1O ZINC000892527862 617478146 /nfs/dbraw/zinc/47/81/46/617478146.db2.gz ZIRKBKGKKXBIHC-LBPRGKRZSA-N 1 0 277.368 1.676 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1O ZINC000892546700 617494210 /nfs/dbraw/zinc/49/42/10/617494210.db2.gz JXUPZNMZJRNMJH-MXWKQRLJSA-N 1 0 263.341 1.490 20 10 CDCDRO COc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(O)c1OC ZINC000892251617 617579181 /nfs/dbraw/zinc/57/91/81/617579181.db2.gz JRIHNQTZZXFBEG-RYUDHWBXSA-N 1 0 278.352 1.061 20 10 CDCDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000044539897 617582771 /nfs/dbraw/zinc/58/27/71/617582771.db2.gz NRTQLYOCEHVZRV-NSHDSACASA-N 1 0 262.357 1.732 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1OC ZINC000893712257 617929417 /nfs/dbraw/zinc/92/94/17/617929417.db2.gz QOSRSVFXYZHLQX-ZYHUDNBSSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1ccc(C[NH2+]CC[C@H](C)O)c(O)c1OC ZINC000894030161 618271431 /nfs/dbraw/zinc/27/14/31/618271431.db2.gz OEOGHZFVKHYRIE-VIFPVBQESA-N 1 0 255.314 1.270 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCCc2cnn(C)n2)cc1 ZINC000815143584 618470375 /nfs/dbraw/zinc/47/03/75/618470375.db2.gz AYARCXLCICDWTK-UHFFFAOYSA-N 1 0 273.384 1.604 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccccn2)cc1 ZINC000841042327 618677636 /nfs/dbraw/zinc/67/76/36/618677636.db2.gz IEEQIPCDDVWDAF-INIZCTEOSA-N 1 0 270.380 1.937 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1cc(OCC)ccc1O ZINC000841064247 618679226 /nfs/dbraw/zinc/67/92/26/618679226.db2.gz AFSVFZHAWPCIHQ-LLVKDONJSA-N 1 0 252.358 1.879 20 10 CDCDRO COc1cccc(O)c1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000841065894 618680065 /nfs/dbraw/zinc/68/00/65/618680065.db2.gz UULGWIRFGQTVCZ-ZYHUDNBSSA-N 1 0 250.342 1.631 20 10 CDCDRO CC[C@@](C)(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894385676 618841488 /nfs/dbraw/zinc/84/14/88/618841488.db2.gz VZMQMUIOQVCUPL-AWEZNQCLSA-N 1 0 253.342 1.960 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C)c(O)c1OC ZINC000894444738 618889592 /nfs/dbraw/zinc/88/95/92/618889592.db2.gz GKOFRIIRJKUQGG-JTQLQIEISA-N 1 0 268.357 1.449 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCO[C@@H]1CCCCO1)OCO2 ZINC000894798780 619063530 /nfs/dbraw/zinc/06/35/30/619063530.db2.gz IDTQDNNINKLSCJ-OAHLLOKOSA-N 1 0 295.335 1.754 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCCC[C@H]1O ZINC000895436306 619665033 /nfs/dbraw/zinc/66/50/33/619665033.db2.gz BHVQRXCZBQFQSS-VXGBXAGGSA-N 1 0 279.336 1.856 20 10 CDCDRO COc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1OC ZINC000897679583 621066451 /nfs/dbraw/zinc/06/64/51/621066451.db2.gz BGXMECJXTJOHHW-CABZTGNLSA-N 1 0 267.325 1.222 20 10 CDCDRO Cc1nn(C)cc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046284 621589818 /nfs/dbraw/zinc/58/98/18/621589818.db2.gz ZBUBQYOKDZFULP-INIZCTEOSA-N 1 0 287.411 1.584 20 10 CDCDRO COc1c(O)c(CN[C@@H]2CCC[NH2+][C@@H]2C)ccc1[N+](=O)[O-] ZINC000841062753 621612040 /nfs/dbraw/zinc/61/20/40/621612040.db2.gz DHGKETSQVKEZAX-MWLCHTKSSA-N 1 0 295.339 1.539 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCO[C@H]2CCOC2)c1O ZINC000927083283 621693421 /nfs/dbraw/zinc/69/34/21/621693421.db2.gz KJYDYKRSTGBAHG-RYUDHWBXSA-N 1 0 281.352 1.857 20 10 CDCDRO Cc1c[nH]nc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911667694 629386892 /nfs/dbraw/zinc/38/68/92/629386892.db2.gz QNZVRKCLJRDCIA-ZDUSSCGKSA-N 1 0 287.367 1.214 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000152955355 631432984 /nfs/dbraw/zinc/43/29/84/631432984.db2.gz MOZBNLFOWBELAZ-CYBMUJFWSA-N 1 0 279.359 1.602 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)cc1F ZINC000915365475 631708186 /nfs/dbraw/zinc/70/81/86/631708186.db2.gz GDLZMTLITMDHFX-LBPRGKRZSA-N 1 0 294.374 1.395 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)CCC1C[NH2+]C1 ZINC001577939820 1171774235 /nfs/dbraw/zinc/77/42/35/1171774235.db2.gz RYIQQTYXEBJKLG-UHFFFAOYSA-N 1 0 283.368 1.494 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001579617335 1172226487 /nfs/dbraw/zinc/22/64/87/1172226487.db2.gz NUAJHXFCDRVNCY-CABCVRRESA-N 1 0 288.395 1.317 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC001579723468 1172247433 /nfs/dbraw/zinc/24/74/33/1172247433.db2.gz BTWHWZCARPEGDX-CYBMUJFWSA-N 1 0 277.368 1.642 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](C)C2)c1 ZINC000133893616 1175809028 /nfs/dbraw/zinc/80/90/28/1175809028.db2.gz GZIUNBGEWFJWDM-LLVKDONJSA-N 1 0 250.342 1.537 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@H](CO)C2)cc1F ZINC000923005898 782276554 /nfs/dbraw/zinc/27/65/54/782276554.db2.gz XBCVECIZYHJYCZ-HOMQSWHASA-N 1 0 270.323 1.891 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c1 ZINC000838913646 782324199 /nfs/dbraw/zinc/32/41/99/782324199.db2.gz WBGZLFZJNVAYCM-QWRGUYRKSA-N 1 0 278.352 1.578 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccn2C)cc1 ZINC000832284633 782325781 /nfs/dbraw/zinc/32/57/81/782325781.db2.gz LGDMVLGBBDMGSL-AWEZNQCLSA-N 1 0 286.379 1.521 20 10 CDCDRO C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841048076 782484928 /nfs/dbraw/zinc/48/49/28/782484928.db2.gz GQAZJANILKHCLD-ZDUSSCGKSA-N 1 0 263.385 1.208 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1O ZINC000848903517 782498609 /nfs/dbraw/zinc/49/86/09/782498609.db2.gz VDADJXZTWUVVJZ-ZDUSSCGKSA-N 1 0 298.408 1.208 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2C)c1 ZINC000123645734 1165304977 /nfs/dbraw/zinc/30/49/77/1165304977.db2.gz FZJKOUAERNXEQU-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO COC(=O)C1(C)C[NH+](Cc2c(O)cccc2OC)C1 ZINC000822534245 782674475 /nfs/dbraw/zinc/67/44/75/782674475.db2.gz AUDFWUZMNIBLQJ-UHFFFAOYSA-N 1 0 265.309 1.396 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877029142 782678353 /nfs/dbraw/zinc/67/83/53/782678353.db2.gz SYAMYDHMPHPWPQ-NSHDSACASA-N 1 0 271.382 1.613 20 10 CDCDRO CC(=O)NCC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000843427444 782689143 /nfs/dbraw/zinc/68/91/43/782689143.db2.gz AZVHUMNIWKABJJ-UHFFFAOYSA-N 1 0 263.385 1.629 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826121550 782724105 /nfs/dbraw/zinc/72/41/05/782724105.db2.gz QZUDAFILLJIBMR-WCQYABFASA-N 1 0 271.744 1.857 20 10 CDCDRO CCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC[NH2+]C1 ZINC000886856083 782738272 /nfs/dbraw/zinc/73/82/72/782738272.db2.gz FPRXIFFBBMJFCG-ZDUSSCGKSA-N 1 0 280.343 1.918 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000790937166 782881344 /nfs/dbraw/zinc/88/13/44/782881344.db2.gz GVRUNDLQTSSGNT-ZDUSSCGKSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000852883440 782947189 /nfs/dbraw/zinc/94/71/89/782947189.db2.gz DVYNVRQCMTZNPJ-OPRDCNLKSA-N 1 0 264.325 1.315 20 10 CDCDRO COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2CCC[NH2+]2)c1 ZINC000817952615 783025558 /nfs/dbraw/zinc/02/55/58/783025558.db2.gz RWIMDHOHGIXWFU-CMPLNLGQSA-N 1 0 278.352 1.581 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](C)[NH3+])cc1 ZINC000846173788 783032443 /nfs/dbraw/zinc/03/24/43/783032443.db2.gz KLJDDQSPDLNKRH-GFCCVEGCSA-N 1 0 294.399 1.120 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCN2CCCO)c(O)c1 ZINC000877559601 1166057615 /nfs/dbraw/zinc/05/76/15/1166057615.db2.gz POXQUPOJGHYBGU-HNNXBMFYSA-N 1 0 278.396 1.637 20 10 CDCDRO CCOCC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649568 780287661 /nfs/dbraw/zinc/28/76/61/780287661.db2.gz WHIBZYLZOQGGRX-NEPJUHHUSA-N 1 0 253.342 1.830 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H](C)CN1CCOCC1 ZINC000921531950 780288846 /nfs/dbraw/zinc/28/88/46/780288846.db2.gz GUDBBEBBWOGJRA-LBPRGKRZSA-N 1 0 280.368 1.211 20 10 CDCDRO COC(=O)C[C@@H]1COCCN1Cc1ccc(C)cc1O ZINC000877530122 780490803 /nfs/dbraw/zinc/49/08/03/780490803.db2.gz QXQICMIWMGBKJN-CYBMUJFWSA-N 1 0 279.336 1.465 20 10 CDCDRO CC(C)(CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000135225029 780705428 /nfs/dbraw/zinc/70/54/28/780705428.db2.gz VONMEIDLJCKUOA-UHFFFAOYSA-N 1 0 278.396 1.774 20 10 CDCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000788269001 780824158 /nfs/dbraw/zinc/82/41/58/780824158.db2.gz JZQBNJSQLOMDLY-WCBMZHEXSA-N 1 0 251.282 1.076 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(CO)(OC)CC2)c(O)c1 ZINC000775204774 780843732 /nfs/dbraw/zinc/84/37/32/780843732.db2.gz QYKJSTPNRKPSHP-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO c1cc(C[NH2+]CCO[C@H]2CCOC2)cc2c1OCC2 ZINC000922938662 780895762 /nfs/dbraw/zinc/89/57/62/780895762.db2.gz HTXYEWPPOXMZBK-AWEZNQCLSA-N 1 0 263.337 1.517 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1O ZINC000886229677 781023633 /nfs/dbraw/zinc/02/36/33/781023633.db2.gz UMORFLDFYAQKFW-KGLIPLIRSA-N 1 0 295.379 1.811 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1 ZINC000862428141 781236153 /nfs/dbraw/zinc/23/61/53/781236153.db2.gz LQIUCTJIIYDBQB-ZDUSSCGKSA-N 1 0 292.379 1.844 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1COCCO1 ZINC000037997918 781281647 /nfs/dbraw/zinc/28/16/47/781281647.db2.gz GQYVOOYMVGZOKA-MRXNPFEDSA-N 1 0 292.379 1.028 20 10 CDCDRO OCC[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000922067391 781330311 /nfs/dbraw/zinc/33/03/11/781330311.db2.gz CSKZXIMTWPGIDO-MRXNPFEDSA-N 1 0 277.364 1.643 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846074578 781385187 /nfs/dbraw/zinc/38/51/87/781385187.db2.gz DHNSBORNDNYDQZ-GFCCVEGCSA-N 1 0 274.364 1.801 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c(O)c1 ZINC000776522006 781491782 /nfs/dbraw/zinc/49/17/82/781491782.db2.gz YFCAVZXPEKNSOY-JEOXALJRSA-N 1 0 285.409 1.990 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CNCCO2)c(O)c1 ZINC000817982528 781568323 /nfs/dbraw/zinc/56/83/23/781568323.db2.gz DUHKMIMRXAONCC-STQMWFEESA-N 1 0 264.369 1.648 20 10 CDCDRO CCOC(=O)CN(Cc1ccccc1O)C[C@@H](C)O ZINC000823576039 781582380 /nfs/dbraw/zinc/58/23/80/781582380.db2.gz HDPVQBOXZKLHMB-LLVKDONJSA-N 1 0 267.325 1.138 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cc(OC)ccc1O ZINC000310936821 781748432 /nfs/dbraw/zinc/74/84/32/781748432.db2.gz IREYFNRDPZMJJN-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230153859 781825493 /nfs/dbraw/zinc/82/54/93/781825493.db2.gz XXXHQIKWNHYHDA-OTYXRUKQSA-N 1 0 265.309 1.778 20 10 CDCDRO COc1cc(C[NH2+]C2(C(N)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825501859 781829967 /nfs/dbraw/zinc/82/99/67/781829967.db2.gz SHVLENIPQLTBEG-UHFFFAOYSA-N 1 0 292.379 1.806 20 10 CDCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C)cc1O ZINC000877563763 781847236 /nfs/dbraw/zinc/84/72/36/781847236.db2.gz PHGNIZAYXKGNCA-HIFRSBDPSA-N 1 0 265.353 1.842 20 10 CDCDRO C[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC(=O)N1 ZINC000835062204 781862338 /nfs/dbraw/zinc/86/23/38/781862338.db2.gz ZAUQIDSDYDCRQP-OAHLLOKOSA-N 1 0 260.337 1.380 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1OC ZINC000841079710 781890002 /nfs/dbraw/zinc/89/00/02/781890002.db2.gz PUMXRDHRSHWFKX-QWRGUYRKSA-N 1 0 284.331 1.199 20 10 CDCDRO Nc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000818556241 783427291 /nfs/dbraw/zinc/42/72/91/783427291.db2.gz DJJBESXWLJSHCY-SNVBAGLBSA-N 1 0 255.268 1.452 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000724872520 783505170 /nfs/dbraw/zinc/50/51/70/783505170.db2.gz MKAJCEIFAKRLHJ-YRGRVCCFSA-N 1 0 263.337 1.773 20 10 CDCDRO CCSC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001173283960 912412360 /nfs/dbraw/zinc/41/23/60/912412360.db2.gz AXNYOTGMWNYEAI-RNCFNFMXSA-N 1 0 271.382 1.862 20 10 CDCDRO COc1cccc(CN2CC[NH2+]CC2(C)C)c1O ZINC000088138129 912618634 /nfs/dbraw/zinc/61/86/34/912618634.db2.gz ALZWLHMLXKLRBF-UHFFFAOYSA-N 1 0 250.342 1.585 20 10 CDCDRO COC(=O)CO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342251 895826280 /nfs/dbraw/zinc/82/62/80/895826280.db2.gz ABJUHAKYTFEZEO-JTQLQIEISA-N 1 0 299.754 1.810 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCO2)cc1C ZINC001123127891 914201961 /nfs/dbraw/zinc/20/19/61/914201961.db2.gz RBVULMZNGDRBRP-OAHLLOKOSA-N 1 0 292.379 1.388 20 10 CDCDRO Cc1ccc(CN2CCOC[C@H]2C[NH+](C)C)c(O)c1 ZINC001140958158 899058120 /nfs/dbraw/zinc/05/81/20/899058120.db2.gz SRSNAMXVUOMOQG-CQSZACIVSA-N 1 0 264.369 1.463 20 10 CDCDRO COC1(C[NH2+]Cc2cccc(C)c2O)CCOCC1 ZINC000182654952 899599285 /nfs/dbraw/zinc/59/92/85/899599285.db2.gz GSHFQSFPQVQAFF-UHFFFAOYSA-N 1 0 265.353 1.986 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(Cl)c1 ZINC001235995609 914515168 /nfs/dbraw/zinc/51/51/68/914515168.db2.gz VKGAVGHBMSSVBK-YMTOWFKASA-N 1 0 282.771 1.977 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236033624 914605320 /nfs/dbraw/zinc/60/53/20/914605320.db2.gz XBLJDOUHMBCRNW-WFASDCNBSA-N 1 0 261.369 1.294 20 10 CDCDRO COC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840103989 905880806 /nfs/dbraw/zinc/88/08/06/905880806.db2.gz JBGBAZJXCSLYTJ-HOCLYGCPSA-N 1 0 293.363 1.676 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CN)C(C)(C)C)c1O ZINC000841087636 906927715 /nfs/dbraw/zinc/92/77/15/906927715.db2.gz OOKNIZCFLQPIDY-GFCCVEGCSA-N 1 0 252.358 1.864 20 10 CDCDRO COc1ccc(CNC(=O)NC[C@H]([NH3+])C(C)C)c(O)c1 ZINC000841943895 908830393 /nfs/dbraw/zinc/83/03/93/908830393.db2.gz PYNJYZCYCALGQB-LBPRGKRZSA-N 1 0 281.356 1.183 20 10 CDCDRO O=C1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CCN1C1CC1 ZINC001172010218 911094530 /nfs/dbraw/zinc/09/45/30/911094530.db2.gz WZNPCFKIXHKHCD-NSHDSACASA-N 1 0 276.336 1.341 20 10 CDCDRO COCCCN1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC001172247527 911516083 /nfs/dbraw/zinc/51/60/83/911516083.db2.gz LNDSWTXBXWWESX-UHFFFAOYSA-N 1 0 294.395 1.688 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263207 912072704 /nfs/dbraw/zinc/07/27/04/912072704.db2.gz JYFCTPDUQQVFTC-SNVBAGLBSA-N 1 0 284.743 1.462 20 10 CDCDRO Cc1cc(CN2C[C@H]([NH3+])C[C@H](F)C2)ccc1N(C)C ZINC001206424064 916473337 /nfs/dbraw/zinc/47/33/37/916473337.db2.gz NKCRMZZZEDTUPO-UONOGXRCSA-N 1 0 265.376 1.932 20 10 CDCDRO Cc1ccc(C)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1O ZINC001206425180 916535997 /nfs/dbraw/zinc/53/59/97/916535997.db2.gz UZXALHBURWAJPJ-RYUDHWBXSA-N 1 0 252.333 1.880 20 10 CDCDRO COc1cccc(CN2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000070175480 917202254 /nfs/dbraw/zinc/20/22/54/917202254.db2.gz BILZQOTXMNOBLR-WCQYABFASA-N 1 0 264.369 1.960 20 10 CDCDRO COCCOCCN1CCCc2cc(C[NH3+])ccc21 ZINC000070481011 917326368 /nfs/dbraw/zinc/32/63/68/917326368.db2.gz LKOOQLGCSMYNSS-UHFFFAOYSA-N 1 0 264.369 1.561 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000829528014 936421392 /nfs/dbraw/zinc/42/13/92/936421392.db2.gz JBICZLLWQCTRDE-ZJUUUORDSA-N 1 0 285.438 1.740 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000829764749 936431078 /nfs/dbraw/zinc/43/10/78/936431078.db2.gz WGKVJJBIMHMODO-WBVHZDCISA-N 1 0 287.407 1.677 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237806293 917630252 /nfs/dbraw/zinc/63/02/52/917630252.db2.gz SWXZWEJMWMNYOM-LLVKDONJSA-N 1 0 286.734 1.895 20 10 CDCDRO COc1cc(C[N@H+](C)CCC2OCCO2)cc(O)c1O ZINC001204346793 917972727 /nfs/dbraw/zinc/97/27/27/917972727.db2.gz ZHADEVPTEAILJS-UHFFFAOYSA-N 1 0 283.324 1.301 20 10 CDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004323 936472861 /nfs/dbraw/zinc/47/28/61/936472861.db2.gz FFCVNCJGBRQLSD-CJNGLKHVSA-N 1 0 287.407 1.901 20 10 CDCDRO COc1cccc(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1O ZINC000831212894 936497384 /nfs/dbraw/zinc/49/73/84/936497384.db2.gz XVUCLDGRKXQTHB-UWVGGRQHSA-N 1 0 281.356 1.326 20 10 CDCDRO Cc1c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c2ccccc2n1C ZINC001138252437 936501663 /nfs/dbraw/zinc/50/16/63/936501663.db2.gz HIVRVBBPANRMEG-BLLLJJGKSA-N 1 0 274.364 1.272 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001138499235 936543170 /nfs/dbraw/zinc/54/31/70/936543170.db2.gz FXZAEXWIAAQZBX-DOTOQJQBSA-N 1 0 288.391 1.744 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccn2)cc1 ZINC000832285427 936572098 /nfs/dbraw/zinc/57/20/98/936572098.db2.gz QMGGGVCIWFAWAC-AWEZNQCLSA-N 1 0 284.363 1.577 20 10 CDCDRO COc1cccc(C[N@H+](C)Cc2ccncn2)c1O ZINC001203601635 919331240 /nfs/dbraw/zinc/33/12/40/919331240.db2.gz DKQYBCJHHFGJLH-UHFFFAOYSA-N 1 0 259.309 1.823 20 10 CDCDRO CCOc1cccc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000827580155 936600340 /nfs/dbraw/zinc/60/03/40/936600340.db2.gz QGHCKWVVFBHWNE-SNVBAGLBSA-N 1 0 251.326 1.794 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1ccccc1O ZINC000827930659 936615245 /nfs/dbraw/zinc/61/52/45/936615245.db2.gz OONDMYIRISXGGG-LLVKDONJSA-N 1 0 250.342 1.910 20 10 CDCDRO COc1cc(CN2CCCC(=O)C2)cc(C[NH+](C)C)c1O ZINC001139258065 936611720 /nfs/dbraw/zinc/61/17/20/936611720.db2.gz LHOISGCEWKERPN-UHFFFAOYSA-N 1 0 292.379 1.627 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2c(O)ccc3ccccc32)C[C@H]1O ZINC001205358247 920098246 /nfs/dbraw/zinc/09/82/46/920098246.db2.gz UXFRZFMBBNDMQV-UKRRQHHQSA-N 1 0 258.321 1.049 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC001140179452 936684384 /nfs/dbraw/zinc/68/43/84/936684384.db2.gz CXDLGXSUUBERIZ-CABCVRRESA-N 1 0 276.380 1.524 20 10 CDCDRO CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC000834646324 936698790 /nfs/dbraw/zinc/69/87/90/936698790.db2.gz CLIBLNRAESCSNU-JSGCOSHPSA-N 1 0 261.369 1.397 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834697983 936700388 /nfs/dbraw/zinc/70/03/88/936700388.db2.gz SNWLPWCCYAABQT-AGIUHOORSA-N 1 0 274.364 1.884 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccccc1O ZINC000834851298 936708958 /nfs/dbraw/zinc/70/89/58/936708958.db2.gz WPRVBAMOLFVRGZ-UONOGXRCSA-N 1 0 278.396 1.890 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000835075124 936717253 /nfs/dbraw/zinc/71/72/53/936717253.db2.gz VTSQJZXWEINURO-OLZOCXBDSA-N 1 0 290.363 1.644 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000086683751 922108139 /nfs/dbraw/zinc/10/81/39/922108139.db2.gz PVSCAIIAVFMLAU-NSHDSACASA-N 1 0 267.325 1.882 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1 ZINC001140617257 936731224 /nfs/dbraw/zinc/73/12/24/936731224.db2.gz JASBTUXNRQIGRK-JSGCOSHPSA-N 1 0 253.317 1.995 20 10 CDCDRO CO[C@@H](C)C1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749520 936749764 /nfs/dbraw/zinc/74/97/64/936749764.db2.gz COIREGMIRNVJGM-JTQLQIEISA-N 1 0 251.326 1.873 20 10 CDCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(C)cc3O)C[C@@H]21 ZINC001140958307 936784114 /nfs/dbraw/zinc/78/41/14/936784114.db2.gz XGIPRYASGOSPFP-NHAGDIPZSA-N 1 0 275.348 1.942 20 10 CDCDRO COc1cc(O)c(CN2CCn3cncc3C2)c(OC)c1 ZINC001141029204 936794818 /nfs/dbraw/zinc/79/48/18/936794818.db2.gz LYNXSNYYIOAMRG-UHFFFAOYSA-N 1 0 289.335 1.622 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(OC)c1 ZINC001141032158 936795438 /nfs/dbraw/zinc/79/54/38/936795438.db2.gz UKJDEZQWTOMHAG-DGCLKSJQSA-N 1 0 285.315 1.314 20 10 CDCDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C)c(O)c1O ZINC000836947832 936812197 /nfs/dbraw/zinc/81/21/97/936812197.db2.gz MIHIDDCLWHIVLG-GFCCVEGCSA-N 1 0 292.379 1.963 20 10 CDCDRO CNC(=O)C1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839142895 936906281 /nfs/dbraw/zinc/90/62/81/936906281.db2.gz JUHPECHBCMGPDN-UHFFFAOYSA-N 1 0 254.717 1.223 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000840963083 936970033 /nfs/dbraw/zinc/97/00/33/936970033.db2.gz PZNIGEUGKTZXJK-SWLSCSKDSA-N 1 0 295.379 1.668 20 10 CDCDRO COc1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1C ZINC000841087243 936975422 /nfs/dbraw/zinc/97/54/22/936975422.db2.gz SCDZGERXHRBCBL-CQSZACIVSA-N 1 0 264.369 1.472 20 10 CDCDRO COc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1C ZINC000841080696 936974516 /nfs/dbraw/zinc/97/45/16/936974516.db2.gz XPFFZMBNQWTKMM-STQMWFEESA-N 1 0 252.333 1.793 20 10 CDCDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841758889 937013582 /nfs/dbraw/zinc/01/35/82/937013582.db2.gz KUJCNJKTBALROG-RYUDHWBXSA-N 1 0 290.411 1.604 20 10 CDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(Cl)cc1O ZINC000841751518 937013786 /nfs/dbraw/zinc/01/37/86/937013786.db2.gz NLOVPJVGZBKWMD-RNCFNFMXSA-N 1 0 271.744 1.848 20 10 CDCDRO CCC[NH2+]CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759764 937013891 /nfs/dbraw/zinc/01/38/91/937013891.db2.gz IGHBAFDFPATANU-UHFFFAOYSA-N 1 0 296.390 1.691 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841884181 937020436 /nfs/dbraw/zinc/02/04/36/937020436.db2.gz YNEFGHQLTUSXRH-OCCSQVGLSA-N 1 0 290.411 1.865 20 10 CDCDRO C[C@@H](NC(=O)NCC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000841883279 937020700 /nfs/dbraw/zinc/02/07/00/937020700.db2.gz VEOPUQVLJMNREQ-LLVKDONJSA-N 1 0 278.400 1.850 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841825247 937016537 /nfs/dbraw/zinc/01/65/37/937016537.db2.gz ZWOOHECVKWITNW-CQSZACIVSA-N 1 0 290.411 1.612 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000841965480 937025940 /nfs/dbraw/zinc/02/59/40/937025940.db2.gz GPUQZVDQBZFMHK-LBPRGKRZSA-N 1 0 263.341 1.271 20 10 CDCDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001273284775 925744833 /nfs/dbraw/zinc/74/48/33/925744833.db2.gz LKDFHELAHHHGLM-CYBMUJFWSA-N 1 0 292.354 1.879 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c1O ZINC000846143089 926405430 /nfs/dbraw/zinc/40/54/30/926405430.db2.gz APNCLPQWPMRRLV-MFKMUULPSA-N 1 0 291.351 1.519 20 10 CDCDRO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)[NH2+]1 ZINC000843051485 937107131 /nfs/dbraw/zinc/10/71/31/937107131.db2.gz JHXCKTILCNECPQ-GJZGRUSLSA-N 1 0 289.423 1.705 20 10 CDCDRO COc1c([O-])c(C[N@H+](C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000843124411 937115093 /nfs/dbraw/zinc/11/50/93/937115093.db2.gz ALVDWRSVFZTDID-UHFFFAOYSA-N 1 0 281.312 1.231 20 10 CDCDRO C[NH2+]CCc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000843288832 937130829 /nfs/dbraw/zinc/13/08/29/937130829.db2.gz JCKFEHVQOYSBEY-UHFFFAOYSA-N 1 0 250.323 1.983 20 10 CDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000852786327 927870257 /nfs/dbraw/zinc/87/02/57/927870257.db2.gz VKFVKMXEILNPMB-OAHLLOKOSA-N 1 0 275.396 1.901 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)CO1 ZINC001169335030 927958691 /nfs/dbraw/zinc/95/86/91/927958691.db2.gz PIHOCKBRMKRKTD-SMDDNHRTSA-N 1 0 295.335 1.298 20 10 CDCDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2COCCO2)cc1C ZINC000853560899 928045935 /nfs/dbraw/zinc/04/59/35/928045935.db2.gz ZXLLNVVBGDZQIV-CQSZACIVSA-N 1 0 265.353 1.856 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1F ZINC000858174600 928815770 /nfs/dbraw/zinc/81/57/70/928815770.db2.gz UZQHAOVOGLGDRI-GXSJLCMTSA-N 1 0 297.349 1.774 20 10 CDCDRO CCc1cccc(C[NH2+]CC(C)(C)S(C)(=O)=O)c1O ZINC000691454523 928873402 /nfs/dbraw/zinc/87/34/02/928873402.db2.gz PHKFQNHSJBUUOZ-UHFFFAOYSA-N 1 0 285.409 1.867 20 10 CDCDRO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000858601361 928894956 /nfs/dbraw/zinc/89/49/56/928894956.db2.gz FRCKROOACIRWLX-JQWIXIFHSA-N 1 0 284.787 1.763 20 10 CDCDRO CCOC(=O)C[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000859188966 928981237 /nfs/dbraw/zinc/98/12/37/928981237.db2.gz IJALTOXQYILIMN-LBPRGKRZSA-N 1 0 267.325 1.138 20 10 CDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000788268999 929500754 /nfs/dbraw/zinc/50/07/54/929500754.db2.gz JZQBNJSQLOMDLY-SCZZXKLOSA-N 1 0 251.282 1.076 20 10 CDCDRO C[N@H+](CCOCC[NH3+])Cc1cc(Cl)cc(F)c1[O-] ZINC000863651572 929584678 /nfs/dbraw/zinc/58/46/78/929584678.db2.gz LEPQUALEEXFEMS-UHFFFAOYSA-N 1 0 276.739 1.592 20 10 CDCDRO CC(=O)c1cc(Cl)cc(Cn2cc(CC[NH3+])nn2)c1O ZINC000880999075 929773165 /nfs/dbraw/zinc/77/31/65/929773165.db2.gz FRNYFXXBZVZMNG-UHFFFAOYSA-N 1 0 294.742 1.389 20 10 CDCDRO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2C)ccc1N(C)C ZINC000815078597 929936246 /nfs/dbraw/zinc/93/62/46/929936246.db2.gz CMHLKIKNVPBTFY-ZDUSSCGKSA-N 1 0 275.396 1.771 20 10 CDCDRO C[N@@H+]1CCN(CCNC(=O)C2=CC(=O)CS2)CC1(C)C ZINC000799853727 937398408 /nfs/dbraw/zinc/39/84/08/937398408.db2.gz ZSTZWVQQRXUHCF-UHFFFAOYSA-N 1 0 297.424 1.210 20 10 CDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817709131 930594974 /nfs/dbraw/zinc/59/49/74/930594974.db2.gz LLVPWUOEUONEAZ-CYBMUJFWSA-N 1 0 282.359 1.523 20 10 CDCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccn(C)n1 ZINC000817940119 930638588 /nfs/dbraw/zinc/63/85/88/930638588.db2.gz 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CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925403074 932881359 /nfs/dbraw/zinc/88/13/59/932881359.db2.gz JYWQZBOOOJYJRL-LBPRGKRZSA-N 1 0 263.341 1.238 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001118577580 937643215 /nfs/dbraw/zinc/64/32/15/937643215.db2.gz QZUDAFILLJIBMR-DGCLKSJQSA-N 1 0 271.744 1.857 20 10 CDCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)[C@H](C)O ZINC000929294344 933222900 /nfs/dbraw/zinc/22/29/00/933222900.db2.gz CLIXTYOBBYLTTA-BBRMVZONSA-N 1 0 280.412 1.705 20 10 CDCDRO Cc1c(C[N@@H+]2CCOC[C@@H](O)C2)c2ccccc2n1C ZINC001138252761 933264402 /nfs/dbraw/zinc/26/44/02/933264402.db2.gz SYBUSFDBYNESAJ-ZDUSSCGKSA-N 1 0 274.364 1.680 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000778189669 933850094 /nfs/dbraw/zinc/85/00/94/933850094.db2.gz SUWKUGYWPBJUSD-GFCCVEGCSA-N 1 0 273.336 1.702 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCCOC2)c(O)c1 ZINC000040906816 934181403 /nfs/dbraw/zinc/18/14/03/934181403.db2.gz WPPZVHKAIBNZJT-NSHDSACASA-N 1 0 251.326 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COc1cc(C)c(C[NH+]2CC3(CCN3C)C2)c(O)c1 ZINC001276807021 941378253 /nfs/dbraw/zinc/37/82/53/941378253.db2.gz XOHVRWMVBIUHJE-UHFFFAOYSA-N 1 0 262.353 1.599 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2C[NH2+]Cc3ccsc32)cc1 ZINC001219826552 941389955 /nfs/dbraw/zinc/38/99/55/941389955.db2.gz TWFJKDXMTYEVSH-CYBMUJFWSA-N 1 0 287.388 1.834 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502843 941604316 /nfs/dbraw/zinc/60/43/16/941604316.db2.gz UOPXRHCTJGCHHL-KBPBESRZSA-N 1 0 297.349 1.196 20 10 CDCDRO Oc1ccc(CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1O ZINC001222669935 941623798 /nfs/dbraw/zinc/62/37/98/941623798.db2.gz YVXDQZQNOHQVEW-INIZCTEOSA-N 1 0 291.395 1.015 20 10 CDCDRO NC(=O)[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]2CCCO[C@H]21 ZINC001277440472 942574850 /nfs/dbraw/zinc/57/48/50/942574850.db2.gz ACDLVXHSWGNIPR-VNHYZAJKSA-N 1 0 290.363 1.105 20 10 CDCDRO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1O ZINC001277442526 942579728 /nfs/dbraw/zinc/57/97/28/942579728.db2.gz WYKLWBFBUJYZDV-SWLSCSKDSA-N 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ZINC001308780058 956577808 /nfs/dbraw/zinc/57/78/08/956577808.db2.gz GLBJJPGNZYMGBA-HIFRSBDPSA-N 1 0 296.798 1.951 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001308828457 956585863 /nfs/dbraw/zinc/58/58/63/956585863.db2.gz DZTZIKDMNIJHKT-UHFFFAOYSA-N 1 0 258.705 1.155 20 10 CDCDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(N)cc1 ZINC001336905305 960727554 /nfs/dbraw/zinc/72/75/54/960727554.db2.gz DKJIEARMMRXNQU-UHFFFAOYSA-N 1 0 264.373 1.586 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001338793758 962000948 /nfs/dbraw/zinc/00/09/48/962000948.db2.gz UVOUVBWIVOCEDP-PWSUYJOCSA-N 1 0 262.357 1.148 20 10 CDCDRO COc1ccc(C[NH2+]Cc2ccc[nH]c2=O)c(O)c1OC ZINC001343226695 963932473 /nfs/dbraw/zinc/93/24/73/963932473.db2.gz XJOPCBQYIFGQFS-UHFFFAOYSA-N 1 0 290.319 1.800 20 10 CDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N)cc2)CCC1 ZINC001357351170 969573531 /nfs/dbraw/zinc/57/35/31/969573531.db2.gz NUSPDTYFTTXUBU-UHFFFAOYSA-N 1 0 276.384 1.552 20 10 CDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001576744426 1171505913 /nfs/dbraw/zinc/50/59/13/1171505913.db2.gz JAOAFGRGZPMFCL-ZWNOBZJWSA-N 1 0 260.337 1.623 20 10 CDCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+](CC)CC)cc2=O ZINC000051880248 345206357 /nfs/dbraw/zinc/20/63/57/345206357.db2.gz OYCGIOXELVRWSB-UHFFFAOYSA-N 1 0 292.339 1.453 20 10 CDCDRO C[C@H](O)CC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000072713869 345355937 /nfs/dbraw/zinc/35/59/37/345355937.db2.gz FZNOIJGYXZEYHR-ZDUSSCGKSA-N 1 0 293.411 1.072 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CC)CO)c1 ZINC000295190913 199397537 /nfs/dbraw/zinc/39/75/37/199397537.db2.gz XGIJDZQOSYFMIF-GFCCVEGCSA-N 1 0 253.342 1.994 20 10 CDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000294852774 363409771 /nfs/dbraw/zinc/40/97/71/363409771.db2.gz VCNRILGFLZNNSR-NSHDSACASA-N 1 0 261.369 1.509 20 10 CDCDRO CC[C@@H]([NH2+]CCS(C)(=O)=O)c1ccccc1O ZINC000037740458 356921558 /nfs/dbraw/zinc/92/15/58/356921558.db2.gz NUWYVWYBPPOXDL-LLVKDONJSA-N 1 0 257.355 1.478 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccccc1O ZINC000179874837 357228854 /nfs/dbraw/zinc/22/88/54/357228854.db2.gz YILNYFRESKHEFO-LLVKDONJSA-N 1 0 264.325 1.885 20 10 CDCDRO O=C(NCC[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000295938978 357585671 /nfs/dbraw/zinc/58/56/71/357585671.db2.gz KTITVKIWQDNUMH-LBPRGKRZSA-N 1 0 260.337 1.495 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000188046274 357838693 /nfs/dbraw/zinc/83/86/93/357838693.db2.gz WUJCOBRTVSXWJR-JTQLQIEISA-N 1 0 296.367 1.366 20 10 CDCDRO CCC[C@@]1(C)C(=O)NCCN1Cc1cccc(OC)c1O ZINC000189038636 357965161 /nfs/dbraw/zinc/96/51/61/357965161.db2.gz YYHPNYPIWWCKAD-INIZCTEOSA-N 1 0 292.379 1.891 20 10 CDCDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000193107770 358264986 /nfs/dbraw/zinc/26/49/86/358264986.db2.gz CMILDOFPBYEWJC-LBPRGKRZSA-N 1 0 292.379 1.902 20 10 CDCDRO COc1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1O ZINC000365565140 359543420 /nfs/dbraw/zinc/54/34/20/359543420.db2.gz XTNKSXNCTMTESY-LBPRGKRZSA-N 1 0 263.337 1.869 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@H](OC)C2CC2)cc1OC ZINC000293562536 370689609 /nfs/dbraw/zinc/68/96/09/370689609.db2.gz GFFLQHDSCQVCHH-HNNXBMFYSA-N 1 0 281.352 1.924 20 10 CDCDRO Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)c(O)c1O ZINC000293667972 370738175 /nfs/dbraw/zinc/73/81/75/370738175.db2.gz GHHIRHCBRSUHAI-SECBINFHSA-N 1 0 266.341 1.334 20 10 CDCDRO COC(=O)CN(Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000271078361 364910309 /nfs/dbraw/zinc/91/03/09/364910309.db2.gz HSPKGSQKDRRIDM-UHFFFAOYSA-N 1 0 295.335 1.547 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000271124484 364935479 /nfs/dbraw/zinc/93/54/79/364935479.db2.gz ZFVUARXRTOYJLK-LLVKDONJSA-N 1 0 265.309 1.396 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)CN(C)C)c1O ZINC000168753387 365003021 /nfs/dbraw/zinc/00/30/21/365003021.db2.gz XQUPDKYZCIOZAE-NSHDSACASA-N 1 0 252.358 1.831 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1ccccc1O ZINC000272872627 365427185 /nfs/dbraw/zinc/42/71/85/365427185.db2.gz OYQFVJOKDYIGBA-TZMCWYRMSA-N 1 0 291.395 1.383 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1 ZINC000273396517 365491687 /nfs/dbraw/zinc/49/16/87/365491687.db2.gz LEPCIOCWSFOWGG-GJZGRUSLSA-N 1 0 275.396 1.886 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273585230 365510695 /nfs/dbraw/zinc/51/06/95/365510695.db2.gz NRPXBRLNWNMIOJ-WPRPVWTQSA-N 1 0 259.733 1.704 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c(O)c1 ZINC000293885076 370841561 /nfs/dbraw/zinc/84/15/61/370841561.db2.gz VPQHRFMSVLOQLZ-HUUCEWRRSA-N 1 0 291.439 1.905 20 10 CDCDRO OCCOC1(C[NH2+]Cc2ccccc2O)CCOCC1 ZINC000282677231 367987263 /nfs/dbraw/zinc/98/72/63/367987263.db2.gz NEDFSGMVHUCJDT-UHFFFAOYSA-N 1 0 281.352 1.040 20 10 CDCDRO CCCOc1ccc(C[NH2+]Cc2cnnn2C)c(O)c1 ZINC000288421155 369446654 /nfs/dbraw/zinc/44/66/54/369446654.db2.gz JRXKYLNPIJZGQF-UHFFFAOYSA-N 1 0 276.340 1.599 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295209909 378662374 /nfs/dbraw/zinc/66/23/74/378662374.db2.gz ZXEARSCRODZPOX-HNNXBMFYSA-N 1 0 278.396 1.637 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)CCCO)c1 ZINC000395038243 781983539 /nfs/dbraw/zinc/98/35/39/781983539.db2.gz CLABPACUHRYLGX-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO C[N@H+](CC(=O)NC1CCCC1)Cc1ccccc1O ZINC000109769615 390648309 /nfs/dbraw/zinc/64/83/09/390648309.db2.gz QPFGLBUTQXNJRZ-UHFFFAOYSA-N 1 0 262.353 1.883 20 10 CDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093361051 390901898 /nfs/dbraw/zinc/90/18/98/390901898.db2.gz ZQCVVQONVROWEN-LBPRGKRZSA-N 1 0 278.352 1.359 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CC2 ZINC000295778150 285396760 /nfs/dbraw/zinc/39/67/60/285396760.db2.gz ARMIHTQVEFOXOY-WPRPVWTQSA-N 1 0 261.243 1.892 20 10 CDCDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1O ZINC000183441855 391264419 /nfs/dbraw/zinc/26/44/19/391264419.db2.gz RZNRXFBVEDCCJT-CYBMUJFWSA-N 1 0 278.396 1.890 20 10 CDCDRO OC[C@]1([NH2+]Cc2ccccc2O)COc2ccccc2C1 ZINC000527769950 392990657 /nfs/dbraw/zinc/99/06/57/392990657.db2.gz TZUDDXWQCZGNIO-KRWDZBQOSA-N 1 0 285.343 1.848 20 10 CDCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1O ZINC000783518214 782010460 /nfs/dbraw/zinc/01/04/60/782010460.db2.gz KBIQTDFWIBNHSG-HUBLWGQQSA-N 1 0 264.369 1.762 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000021952412 171340202 /nfs/dbraw/zinc/34/02/02/171340202.db2.gz LQVSXWDAZZEIHO-UHFFFAOYSA-N 1 0 261.369 1.368 20 10 CDCDRO c1cn(CCC[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000037362991 173151784 /nfs/dbraw/zinc/15/17/84/173151784.db2.gz NNMCYYKHZSGYKO-UHFFFAOYSA-N 1 0 257.337 1.998 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2ccccc2O)CCOCC1 ZINC000152556680 261065856 /nfs/dbraw/zinc/06/58/56/261065856.db2.gz KCQPLKRNWMFBKZ-UHFFFAOYSA-N 1 0 279.336 1.594 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000129639638 264329394 /nfs/dbraw/zinc/32/93/94/264329394.db2.gz HCCBTFYDJBENHY-CHWSQXEVSA-N 1 0 251.326 1.650 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295874842 278265535 /nfs/dbraw/zinc/26/55/35/278265535.db2.gz HFVONIMKGIZYBP-GXTWGEPZSA-N 1 0 276.380 1.690 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000271811184 328197575 /nfs/dbraw/zinc/19/75/75/328197575.db2.gz KUBNBDIFRWDNJB-WDEREUQCSA-N 1 0 281.352 1.924 20 10 CDCDRO Cc1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)[nH]1 ZINC000274230884 328210032 /nfs/dbraw/zinc/21/00/32/328210032.db2.gz RYVPARXGUFHCCX-MRVPVSSYSA-N 1 0 275.308 1.490 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC000378344843 329046988 /nfs/dbraw/zinc/04/69/88/329046988.db2.gz DCRAAYPKCHLQGD-GFCCVEGCSA-N 1 0 262.309 1.337 20 10 CDCDRO CC(C)OCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000168959868 329062306 /nfs/dbraw/zinc/06/23/06/329062306.db2.gz LSDKQMCQAIKONG-UHFFFAOYSA-N 1 0 253.298 1.636 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(c3cnn(C)c3)CC2)c1O ZINC000180240606 329218760 /nfs/dbraw/zinc/21/87/60/329218760.db2.gz BLPPPOWZZJBJQN-UHFFFAOYSA-N 1 0 286.379 1.756 20 10 CDCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000078640507 330327101 /nfs/dbraw/zinc/32/71/01/330327101.db2.gz ZTXGQHQMSIRUBI-LLVKDONJSA-N 1 0 270.398 1.275 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccccc1O ZINC000252546040 334382446 /nfs/dbraw/zinc/38/24/46/334382446.db2.gz KBGZFIYNAOOLAH-IHRRRGAJSA-N 1 0 276.380 1.906 20 10 CDCDRO CC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCNC1=O ZINC000799737318 782100730 /nfs/dbraw/zinc/10/07/30/782100730.db2.gz BCOGNXLNEBXNDB-LLVKDONJSA-N 1 0 268.744 1.756 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000250984833 1159353861 /nfs/dbraw/zinc/35/38/61/1159353861.db2.gz RFABNIUYMMAQQK-QJPTWQEYSA-N 1 0 265.353 1.846 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000083551509 521745475 /nfs/dbraw/zinc/74/54/75/521745475.db2.gz XTIWPHJBLGZFEL-QMMMGPOBSA-N 1 0 256.733 1.660 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000229051965 522540437 /nfs/dbraw/zinc/54/04/37/522540437.db2.gz JEWAGOYVLHMIHN-NSHDSACASA-N 1 0 271.744 1.915 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000279707330 524747825 /nfs/dbraw/zinc/74/78/25/524747825.db2.gz SAORYAXVCDDRJQ-BLLLJJGKSA-N 1 0 293.363 1.781 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c1 ZINC000036977199 524765702 /nfs/dbraw/zinc/76/57/02/524765702.db2.gz PEDRWSPSDWCGJH-MFKMUULPSA-N 1 0 278.352 1.720 20 10 CDCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(F)ccc1O ZINC000130871720 524875998 /nfs/dbraw/zinc/87/59/98/524875998.db2.gz SDDNZXWSWPBPCH-HUTHGQBESA-N 1 0 259.346 1.730 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@]2(CCO)CCOC2)cc1C ZINC000278501806 525321932 /nfs/dbraw/zinc/32/19/32/525321932.db2.gz OBZWALVBFPIURF-OAHLLOKOSA-N 1 0 265.353 1.640 20 10 CDCDRO CSCC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000083399600 525584512 /nfs/dbraw/zinc/58/45/12/525584512.db2.gz RGFJMZSFWHGKES-JTQLQIEISA-N 1 0 254.355 1.089 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c(O)c1 ZINC000280933032 525723195 /nfs/dbraw/zinc/72/31/95/525723195.db2.gz IGJJYXXIYKPYOF-LLVKDONJSA-N 1 0 283.393 1.928 20 10 CDCDRO COc1cccc(C[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000125567607 526036758 /nfs/dbraw/zinc/03/67/58/526036758.db2.gz BWWNHYUNIYSYAO-MLCYQJTMSA-N 1 0 271.382 1.648 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCOC1 ZINC000280216199 527578979 /nfs/dbraw/zinc/57/89/79/527578979.db2.gz GAWWQDKCPOSIQQ-HUUCEWRRSA-N 1 0 277.364 1.356 20 10 CDCDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1=CC(=O)CS1 ZINC000731878854 575068141 /nfs/dbraw/zinc/06/81/41/575068141.db2.gz OHORBSRHMORCDO-KOLCDFICSA-N 1 0 282.365 1.047 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000732284306 575086819 /nfs/dbraw/zinc/08/68/19/575086819.db2.gz ODWADEPMUYTGRQ-JTQLQIEISA-N 1 0 266.366 1.764 20 10 CDCDRO C[N@@H+]1CCC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000732290439 575087368 /nfs/dbraw/zinc/08/73/68/575087368.db2.gz PQDHIXZRGLLQTN-SECBINFHSA-N 1 0 254.355 1.525 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)cc1 ZINC000773888745 575843273 /nfs/dbraw/zinc/84/32/73/575843273.db2.gz NHADEFAQFVBAQW-IYBDPMFKSA-N 1 0 278.396 1.988 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1C3CCC1CC3)[C@H](O)CO2 ZINC000768442440 576283677 /nfs/dbraw/zinc/28/36/77/576283677.db2.gz WEZKPFUVWUHCOY-QIMFLAQGSA-N 1 0 261.321 1.945 20 10 CDCDRO COc1cc(C[N@H+](C)[C@@H]2CCNC2=O)c(O)cc1C ZINC000768464590 576287410 /nfs/dbraw/zinc/28/74/10/576287410.db2.gz CLXCERXVVKPBPN-LLVKDONJSA-N 1 0 264.325 1.030 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c(O)c1C ZINC000762784852 576671373 /nfs/dbraw/zinc/67/13/73/576671373.db2.gz ALRURKXCGZFVJB-CJNGLKHVSA-N 1 0 278.396 1.726 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@]2(CO)CCOC2)cc1F ZINC000757978604 577064708 /nfs/dbraw/zinc/06/47/08/577064708.db2.gz NRKPDUTYMBBHLW-AWEZNQCLSA-N 1 0 268.332 1.133 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C2COC(C)(C)OC2)c1 ZINC000758012768 577067455 /nfs/dbraw/zinc/06/74/55/577067455.db2.gz VZQZBARFWTZYKZ-UHFFFAOYSA-N 1 0 267.325 1.642 20 10 CDCDRO O=C(N[C@H]1CC12CC[NH2+]CC2)N1Cc2cccc(O)c2C1 ZINC000892268354 617628799 /nfs/dbraw/zinc/62/87/99/617628799.db2.gz UROQNKDLIKRZOV-AWEZNQCLSA-N 1 0 287.363 1.560 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)c(O)c1OC ZINC000893932923 618192295 /nfs/dbraw/zinc/19/22/95/618192295.db2.gz LEZDBBMMJOXGGV-UWVGGRQHSA-N 1 0 269.341 1.922 20 10 CDCDRO COc1cc(C)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000894032974 618251133 /nfs/dbraw/zinc/25/11/33/618251133.db2.gz VQVYYDLMDSZBSS-GXTWGEPZSA-N 1 0 276.380 1.893 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(O)CSC)c1O ZINC000894288007 618491701 /nfs/dbraw/zinc/49/17/01/618491701.db2.gz NQMXCRHPVCUTNP-CQSZACIVSA-N 1 0 285.409 1.913 20 10 CDCDRO [NH3+]CC[C@H](NCc1ccc(N2CCOCC2)cc1)C(F)F ZINC000841071937 618681426 /nfs/dbraw/zinc/68/14/26/618681426.db2.gz JYIDDYBCMJLWRP-AWEZNQCLSA-N 1 0 299.365 1.595 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843057112 618691255 /nfs/dbraw/zinc/69/12/55/618691255.db2.gz BEYFKKPAIHRKSQ-ZJUUUORDSA-N 1 0 295.339 1.478 20 10 CDCDRO Cc1ccc(C[NH+]2CCC(O)(CO)CC2)c(O)c1 ZINC000877629197 618697580 /nfs/dbraw/zinc/69/75/80/618697580.db2.gz RPRMQYKJRVGDGZ-UHFFFAOYSA-N 1 0 251.326 1.020 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCO[C@@H]2CCOC2)c1O ZINC000894331298 618783038 /nfs/dbraw/zinc/78/30/38/618783038.db2.gz DOBCRNZLNQHBRI-CQSZACIVSA-N 1 0 295.379 1.994 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000894665658 619008468 /nfs/dbraw/zinc/00/84/68/619008468.db2.gz CLZGKWKEGYFRHM-JTQLQIEISA-N 1 0 284.331 1.273 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)c(O)c1 ZINC000895329872 619574917 /nfs/dbraw/zinc/57/49/17/619574917.db2.gz KGJHJXTUHJSXBG-IUODEOHRSA-N 1 0 281.352 1.109 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)c(O)c1OC ZINC000895344587 619589146 /nfs/dbraw/zinc/58/91/46/619589146.db2.gz RMJYCFXDHZIXRM-JTQLQIEISA-N 1 0 281.352 1.660 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c(O)c1 ZINC000895749389 619821468 /nfs/dbraw/zinc/82/14/68/619821468.db2.gz QSKIHHPCBGPFBR-KGLIPLIRSA-N 1 0 265.353 1.720 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1c(C)cccc1O ZINC000896618230 620167732 /nfs/dbraw/zinc/16/77/32/620167732.db2.gz NVVAJZNMLIVARY-CQSZACIVSA-N 1 0 278.396 1.901 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897052973 620360147 /nfs/dbraw/zinc/36/01/47/620360147.db2.gz PEHSBVWHWPRQAM-NSHDSACASA-N 1 0 298.408 1.065 20 10 CDCDRO COc1c([O-])c(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000841036456 621184102 /nfs/dbraw/zinc/18/41/02/621184102.db2.gz ODTLZDMCYQSFHI-SNVBAGLBSA-N 1 0 295.339 1.398 20 10 CDCDRO COC(=O)N1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841038671 621530864 /nfs/dbraw/zinc/53/08/64/621530864.db2.gz NMHQXIJDDOICCG-UHFFFAOYSA-N 1 0 277.368 1.632 20 10 CDCDRO C[C@H](O)[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000929185631 621563443 /nfs/dbraw/zinc/56/34/43/621563443.db2.gz WFJWGUSJQUSOOS-YOEHRIQHSA-N 1 0 292.423 1.850 20 10 CDCDRO CC(C)[NH2+]C1(CO)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000908610369 628293030 /nfs/dbraw/zinc/29/30/30/628293030.db2.gz YOWFOPQRYZVZFI-UHFFFAOYSA-N 1 0 298.408 1.419 20 10 CDCDRO CC[N@@H+]1CCCN(C(=O)c2ccc(C)c(O)c2O)[C@H](C)C1 ZINC000910285708 628960749 /nfs/dbraw/zinc/96/07/49/628960749.db2.gz ZNLDGYRGLSSPRS-GFCCVEGCSA-N 1 0 292.379 1.963 20 10 CDCDRO CCOc1cccc(C[NH+]2CC(C)(C(=O)OC)C2)c1O ZINC000822534427 782188376 /nfs/dbraw/zinc/18/83/76/782188376.db2.gz GGQLDJHXCXQLEI-UHFFFAOYSA-N 1 0 279.336 1.786 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])C2)c1O ZINC000050242547 1158682459 /nfs/dbraw/zinc/68/24/59/1158682459.db2.gz DCBPVBDPHQXUJH-LLVKDONJSA-N 1 0 252.289 1.267 20 10 CDCDRO CC1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179724033 1159403563 /nfs/dbraw/zinc/40/35/63/1159403563.db2.gz CFVBJZBVHJEEBF-UHFFFAOYSA-N 1 0 290.407 1.870 20 10 CDCDRO C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)C[NH+](C)C ZINC001604183827 1163119132 /nfs/dbraw/zinc/11/91/32/1163119132.db2.gz FUEQVVXKSCSZKL-MNOVXSKESA-N 1 0 280.368 1.939 20 10 CDCDRO COc1ccc(CNC(=O)CC2CC[NH+](C)CC2)c(O)c1 ZINC000813554992 1163907647 /nfs/dbraw/zinc/90/76/47/1163907647.db2.gz WTZNXBNWBBXZLZ-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccccn1 ZINC000851840885 1164448125 /nfs/dbraw/zinc/44/81/25/1164448125.db2.gz KUGLAAWMYLQSCG-OAHLLOKOSA-N 1 0 258.321 1.953 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000876556309 1165870181 /nfs/dbraw/zinc/87/01/81/1165870181.db2.gz PBLUEBLCLOWIKV-UHFFFAOYSA-N 1 0 298.408 1.214 20 10 CDCDRO Cc1cccc(O)c1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000876688703 1165894980 /nfs/dbraw/zinc/89/49/80/1165894980.db2.gz VYOASUSSSKUQLJ-WBVHZDCISA-N 1 0 290.407 1.732 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877046388 1165965214 /nfs/dbraw/zinc/96/52/14/1165965214.db2.gz MVNDQITYCDFELZ-ZDUSSCGKSA-N 1 0 264.369 1.511 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1ccccc1O ZINC000879648302 1166391897 /nfs/dbraw/zinc/39/18/97/1166391897.db2.gz JFKVURYSWUDBKK-CHWSQXEVSA-N 1 0 295.379 1.599 20 10 CDCDRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccncc1)c1ccccc1O ZINC001579482586 1172194225 /nfs/dbraw/zinc/19/42/25/1172194225.db2.gz KPNXIDNCLYMFIK-FZMZJTMJSA-N 1 0 285.347 1.534 20 10 CDCDRO Nc1ccc(C[NH2+]Cc2ccc(-c3nncnn3)cc2)cc1 ZINC001580446837 1172437970 /nfs/dbraw/zinc/43/79/70/1172437970.db2.gz IMNWVXRRYBLDRR-UHFFFAOYSA-N 1 0 292.346 1.806 20 10 CDCDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000228693417 1175794376 /nfs/dbraw/zinc/79/43/76/1175794376.db2.gz MIUXIIGGHJMVFP-SNVBAGLBSA-N 1 0 268.332 1.954 20 10 CDCDRO CCC[N@H+](CC(N)=O)Cc1cc(OCC)ccc1O ZINC000814177827 1164058498 /nfs/dbraw/zinc/05/84/98/1164058498.db2.gz QEAPUTMYFBGYSQ-UHFFFAOYSA-N 1 0 266.341 1.488 20 10 CDCDRO CC[NH2+]CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610011320 1165183857 /nfs/dbraw/zinc/18/38/57/1165183857.db2.gz PREANFUZEFHMGD-JTQLQIEISA-N 1 0 266.341 1.741 20 10 CDCDRO C[N@H+](CCS(N)(=O)=O)Cc1c(O)ccc2ccccc21 ZINC000872822881 1165483978 /nfs/dbraw/zinc/48/39/78/1165483978.db2.gz MHHCYVFZLNXAIP-UHFFFAOYSA-N 1 0 294.376 1.266 20 10 CDCDRO CCN1CCC[C@H]1C[NH2+]Cc1cccc(OC)c1O ZINC000019960074 1165569453 /nfs/dbraw/zinc/56/94/53/1165569453.db2.gz YUVCBDQMOKMXPO-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000020092418 1165589419 /nfs/dbraw/zinc/58/94/19/1165589419.db2.gz QBQMMJMEPQYOHU-MRXNPFEDSA-N 1 0 276.380 1.792 20 10 CDCDRO O=C(C[NH2+]Cc1ccc(N2CCCC2)cc1)NC1CC1 ZINC000037262890 1165762825 /nfs/dbraw/zinc/76/28/25/1165762825.db2.gz XRLKGTQPQDROEO-UHFFFAOYSA-N 1 0 273.380 1.655 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c(O)c1 ZINC000876974422 1165952140 /nfs/dbraw/zinc/95/21/40/1165952140.db2.gz HBGQFWLIVHAHDK-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@@](C)(CO)COC)cc1 ZINC000879161905 1166306600 /nfs/dbraw/zinc/30/66/00/1166306600.db2.gz FTOLTDGQCRDLFI-HNNXBMFYSA-N 1 0 266.385 1.630 20 10 CDCDRO Oc1cccc(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)c1O ZINC001173759892 912805108 /nfs/dbraw/zinc/80/51/08/912805108.db2.gz VJZVJCQLDFDOCC-NEPJUHHUSA-N 1 0 289.339 1.358 20 10 CDCDRO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001205082513 913097940 /nfs/dbraw/zinc/09/79/40/913097940.db2.gz GEZOHBCRNIABPS-FZMZJTMJSA-N 1 0 263.385 1.770 20 10 CDCDRO COc1c[nH+]ccc1Nc1cc(NC(C)=O)ccc1O ZINC001211264141 895654712 /nfs/dbraw/zinc/65/47/12/895654712.db2.gz COOQQYZPHYSNIQ-UHFFFAOYSA-N 1 0 273.292 1.920 20 10 CDCDRO CN1CCOc2cc(CN3CCC[N@H+](C)CC3)ccc21 ZINC001141139115 899773882 /nfs/dbraw/zinc/77/38/82/899773882.db2.gz JNJGZJBITLECPB-UHFFFAOYSA-N 1 0 275.396 1.653 20 10 CDCDRO [NH3+]CC1(F)CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001222548365 900227215 /nfs/dbraw/zinc/22/72/15/900227215.db2.gz IMUXGUMSUGWADB-UHFFFAOYSA-N 1 0 274.286 1.933 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066969674 901127779 /nfs/dbraw/zinc/12/77/79/901127779.db2.gz YCPTXLHQLKCEIA-ZDUSSCGKSA-N 1 0 282.359 1.523 20 10 CDCDRO C[NH2+][C@@]12CC[C@@](NC(=O)c3ccc(O)c(O)c3)(C1)CCC2 ZINC001270036084 904296379 /nfs/dbraw/zinc/29/63/79/904296379.db2.gz BZRHEDOUADVHEC-JKSUJKDBSA-N 1 0 290.363 1.892 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@](C)([NH3+])C2)cc1OC ZINC001204800883 906846778 /nfs/dbraw/zinc/84/67/78/906846778.db2.gz HYDLRKPWPGTMEO-CQSZACIVSA-N 1 0 266.341 1.333 20 10 CDCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841651778 907737241 /nfs/dbraw/zinc/73/72/41/907737241.db2.gz AUPWFCQLQDGDQA-NSHDSACASA-N 1 0 264.373 1.147 20 10 CDCDRO CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1ccccc1O ZINC000323032895 909041406 /nfs/dbraw/zinc/04/14/06/909041406.db2.gz MSXRYVBJQAFVHM-ZYHUDNBSSA-N 1 0 250.342 1.958 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000036795179 909760022 /nfs/dbraw/zinc/76/00/22/909760022.db2.gz CNPYFGZHKJJLDX-MRVPVSSYSA-N 1 0 256.733 1.660 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000228356316 911889539 /nfs/dbraw/zinc/88/95/39/911889539.db2.gz RAZDHUFKNFCEHG-LLVKDONJSA-N 1 0 268.744 1.756 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000228930498 912013834 /nfs/dbraw/zinc/01/38/34/912013834.db2.gz KRPPZWDGRYQSGC-NSHDSACASA-N 1 0 250.342 1.703 20 10 CDCDRO CO[C@@H]1CCC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001172918901 912059102 /nfs/dbraw/zinc/05/91/02/912059102.db2.gz MCBDWTSRMZJDBT-NWDGAFQWSA-N 1 0 279.336 1.828 20 10 CDCDRO COc1cc(Cl)cc(CN(C)C2C[NH2+]C2)c1O ZINC000229104188 912065446 /nfs/dbraw/zinc/06/54/46/912065446.db2.gz PPKBXYYGWDTUQU-UHFFFAOYSA-N 1 0 256.733 1.458 20 10 CDCDRO Cc1cc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)cc1Br ZINC001236289830 914884989 /nfs/dbraw/zinc/88/49/89/914884989.db2.gz IYAWIDHTKWZICG-ZYHUDNBSSA-N 1 0 297.196 1.867 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000828667134 936383112 /nfs/dbraw/zinc/38/31/12/936383112.db2.gz MWQVZAVVJYAZHJ-GHMZBOCLSA-N 1 0 278.352 1.720 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000829764746 936431091 /nfs/dbraw/zinc/43/10/91/936431091.db2.gz WGKVJJBIMHMODO-DOTOQJQBSA-N 1 0 287.407 1.677 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CN(C(C)=O)C[C@@H]2C)cc1C ZINC001054305896 936449520 /nfs/dbraw/zinc/44/95/20/936449520.db2.gz PQLKWRXRNJEORN-SWLSCSKDSA-N 1 0 276.380 1.960 20 10 CDCDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(N2CCOCC2)cc1 ZINC000269011203 918242946 /nfs/dbraw/zinc/24/29/46/918242946.db2.gz MXZOMBMMPKSTRY-UONOGXRCSA-N 1 0 278.396 1.945 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000827141807 936493032 /nfs/dbraw/zinc/49/30/32/936493032.db2.gz YCSDTELEKDGMIF-DGCLKSJQSA-N 1 0 290.363 1.501 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000827141808 936493605 /nfs/dbraw/zinc/49/36/05/936493605.db2.gz YCSDTELEKDGMIF-WCQYABFASA-N 1 0 290.363 1.501 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CC[C@@]4(CCNC4=O)C3)ccc21 ZINC001138355224 936525189 /nfs/dbraw/zinc/52/51/89/936525189.db2.gz LRHBEHYQKGPBNT-SFHVURJKSA-N 1 0 299.418 1.781 20 10 CDCDRO CCO[C@@H](CC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279858 936571793 /nfs/dbraw/zinc/57/17/93/936571793.db2.gz MAAIJOIRBIZEOT-CABCVRRESA-N 1 0 293.411 1.684 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCCCO2)cc1 ZINC000832284580 936572092 /nfs/dbraw/zinc/57/20/92/936572092.db2.gz KUKSVHQXKDEVFR-GJZGRUSLSA-N 1 0 291.395 1.438 20 10 CDCDRO COC(=O)N(C)CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000827371142 936589409 /nfs/dbraw/zinc/58/94/09/936589409.db2.gz PLDFFPJGNHOGKT-UHFFFAOYSA-N 1 0 298.339 1.197 20 10 CDCDRO [O-]c1c(Cl)cccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843125138 919750975 /nfs/dbraw/zinc/75/09/75/919750975.db2.gz XBYQBYNAXKOBKN-ZDUSSCGKSA-N 1 0 295.814 1.525 20 10 CDCDRO COc1cc(CN2CCOC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253063 936611890 /nfs/dbraw/zinc/61/18/90/936611890.db2.gz KJQYMQFQUJYOHR-GFCCVEGCSA-N 1 0 294.395 1.683 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@](C)(CO)[C@@H](O)C2)ccc1N(C)C ZINC001139669952 936634526 /nfs/dbraw/zinc/63/45/26/936634526.db2.gz RDQWFJGVPSZXBX-IRXDYDNUSA-N 1 0 292.423 1.626 20 10 CDCDRO Cc1cnn(C)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000394086175 936674247 /nfs/dbraw/zinc/67/42/47/936674247.db2.gz NANLGKGLUGMXFA-UHFFFAOYSA-N 1 0 257.337 1.953 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001140178436 936684327 /nfs/dbraw/zinc/68/43/27/936684327.db2.gz LQJXMWOZQUJXPA-CHWSQXEVSA-N 1 0 253.317 1.914 20 10 CDCDRO CCOc1cccc(C[NH2+]CC2(N(C)C)CC2)c1O ZINC000397957949 936709036 /nfs/dbraw/zinc/70/90/36/936709036.db2.gz CONGCQICHNICJS-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)[NH3+] ZINC000399618734 936715632 /nfs/dbraw/zinc/71/56/32/936715632.db2.gz YJJUDVJCUSYODX-SMDDNHRTSA-N 1 0 264.369 1.970 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1 ZINC000835060738 936715708 /nfs/dbraw/zinc/71/57/08/936715708.db2.gz MWCRNEDZHCUVBP-OAHLLOKOSA-N 1 0 278.352 1.549 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000835076020 936716724 /nfs/dbraw/zinc/71/67/24/936716724.db2.gz GUDOJDMGVYFCJW-UHFFFAOYSA-N 1 0 281.375 1.896 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000775374484 921963097 /nfs/dbraw/zinc/96/30/97/921963097.db2.gz CDJHVMJTEOUXBU-WCQYABFASA-N 1 0 295.379 1.839 20 10 CDCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(O)c(C)c3O)C[C@@H]21 ZINC001140747459 936748754 /nfs/dbraw/zinc/74/87/54/936748754.db2.gz AFCWGAKCAFFKOB-IMRBUKKESA-N 1 0 291.347 1.647 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001140947731 936782205 /nfs/dbraw/zinc/78/22/05/936782205.db2.gz CTRDKLBOQSZWAD-HNNXBMFYSA-N 1 0 260.337 1.413 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c(OC)c1 ZINC001141028968 936793987 /nfs/dbraw/zinc/79/39/87/936793987.db2.gz FTIAQOYOXNPTPE-WDEREUQCSA-N 1 0 281.352 1.755 20 10 CDCDRO C[S@@](=O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706834341 923101629 /nfs/dbraw/zinc/10/16/29/923101629.db2.gz XOXZOHLOXBQICB-OAHLLOKOSA-N 1 0 292.198 1.623 20 10 CDCDRO CN(Cc1ccc2c(c1)OCCN2C)[C@H]1CC[N@H+](C)C1 ZINC001141143655 936819388 /nfs/dbraw/zinc/81/93/88/936819388.db2.gz FERYCKGEQXLDHJ-AWEZNQCLSA-N 1 0 275.396 1.651 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1ccc2c(c1)OCCN2C ZINC001141144820 936819553 /nfs/dbraw/zinc/81/95/53/936819553.db2.gz LVQIFWGBTGOBBL-UHFFFAOYSA-N 1 0 292.379 1.900 20 10 CDCDRO CN1CCOc2cc(CN3CC([NH+]4CCCC4)C3)ccc21 ZINC001141143317 936819586 /nfs/dbraw/zinc/81/95/86/936819586.db2.gz UUXBCZSOEBDVGA-UHFFFAOYSA-N 1 0 287.407 1.795 20 10 CDCDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1O ZINC001141157683 936822497 /nfs/dbraw/zinc/82/24/97/936822497.db2.gz MHQHXEQFMLLPHN-INIZCTEOSA-N 1 0 290.363 1.685 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000709510077 923217621 /nfs/dbraw/zinc/21/76/21/923217621.db2.gz QRZPRZMYYFLNPC-ZDUSSCGKSA-N 1 0 278.396 1.765 20 10 CDCDRO Fc1cc(C[NH2+][C@H]2CCOC2)cc(F)c1N1CCOCC1 ZINC000839146715 936906982 /nfs/dbraw/zinc/90/69/82/936906982.db2.gz RWVHJCSSJJFKJP-LBPRGKRZSA-N 1 0 298.333 1.680 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@H]2COC[C@H]2OC)c1O ZINC000839191821 936908629 /nfs/dbraw/zinc/90/86/29/936908629.db2.gz GDPBOLZNXUHSDG-CMPLNLGQSA-N 1 0 287.743 1.558 20 10 CDCDRO CNC(=O)NC(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000839564504 936915722 /nfs/dbraw/zinc/91/57/22/936915722.db2.gz VHZBFYRPDGPIGC-LLVKDONJSA-N 1 0 292.383 1.249 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)Cn2ccnn2)c(O)c1 ZINC000840804109 936961613 /nfs/dbraw/zinc/96/16/13/936961613.db2.gz ZXYUQIVVPWBHJC-STQMWFEESA-N 1 0 290.367 1.312 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1C ZINC000840974882 936970029 /nfs/dbraw/zinc/97/00/29/936970029.db2.gz JAGLFJHEMQUCME-ZIAGYGMSSA-N 1 0 265.353 1.184 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1F ZINC000840963671 936970076 /nfs/dbraw/zinc/97/00/76/936970076.db2.gz SGNYJZNDOHNCSX-DZGCQCFKSA-N 1 0 296.386 1.769 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000841028504 936971498 /nfs/dbraw/zinc/97/14/98/936971498.db2.gz HSLAVKQFEZQAKA-CYBMUJFWSA-N 1 0 252.358 1.864 20 10 CDCDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc(O)c(O)cc2O)C1 ZINC001205842196 925440560 /nfs/dbraw/zinc/44/05/60/925440560.db2.gz NBKQPAKPDCQIID-ONGXEEELSA-N 1 0 266.341 1.363 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841762034 937014083 /nfs/dbraw/zinc/01/40/83/937014083.db2.gz UFTOHELUEZBPEJ-UHFFFAOYSA-N 1 0 282.363 1.300 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841987768 937026224 /nfs/dbraw/zinc/02/62/24/937026224.db2.gz NSTYFKIPJBNUKQ-SNVBAGLBSA-N 1 0 277.368 1.417 20 10 CDCDRO C[C@@H]1CN(Cc2cc(F)c(F)cc2O)CC[N@@H+]1C ZINC001142524729 937027806 /nfs/dbraw/zinc/02/78/06/937027806.db2.gz IJWDOFJGOLCFOF-SECBINFHSA-N 1 0 256.296 1.806 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1O ZINC000842474588 937058040 /nfs/dbraw/zinc/05/80/40/937058040.db2.gz VRNQDCXRTLIQSH-UWVGGRQHSA-N 1 0 280.343 1.916 20 10 CDCDRO CCCC[C@H](O)C[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001252077104 926298937 /nfs/dbraw/zinc/29/89/37/926298937.db2.gz DFRVNOIKBBGABE-FZMZJTMJSA-N 1 0 269.341 1.272 20 10 CDCDRO CC(C)N(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784977 937079319 /nfs/dbraw/zinc/07/93/19/937079319.db2.gz JIBQBACSKPRPJP-CQSZACIVSA-N 1 0 278.400 1.802 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CC(N)=O)c1 ZINC000776250319 926483895 /nfs/dbraw/zinc/48/38/95/926483895.db2.gz GKZTVHDQRZLTQM-SECBINFHSA-N 1 0 252.314 1.144 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000842913305 937091610 /nfs/dbraw/zinc/09/16/10/937091610.db2.gz ZEMAVTXOHHCWRO-ZKYQVNSYSA-N 1 0 251.326 1.765 20 10 CDCDRO C[NH2+][C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843045558 937106576 /nfs/dbraw/zinc/10/65/76/937106576.db2.gz VCJQVAONYPEREB-SNVBAGLBSA-N 1 0 281.312 1.103 20 10 CDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000843119667 937114562 /nfs/dbraw/zinc/11/45/62/937114562.db2.gz BDRTWUBBPYQKCH-LSDHHAIUSA-N 1 0 289.423 1.705 20 10 CDCDRO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC([NH3+])C1 ZINC000843124817 937115303 /nfs/dbraw/zinc/11/53/03/937115303.db2.gz HWNGANOAYPGWOQ-UHFFFAOYSA-N 1 0 285.731 1.875 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC000843434041 937149328 /nfs/dbraw/zinc/14/93/28/937149328.db2.gz GYWKOMBIHCKWRI-CHWSQXEVSA-N 1 0 279.336 1.056 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000843488994 937155995 /nfs/dbraw/zinc/15/59/95/937155995.db2.gz AFLIQFPPDFGDRQ-TVQRCGJNSA-N 1 0 280.368 1.951 20 10 CDCDRO C[NH2+]C[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000851658961 927598978 /nfs/dbraw/zinc/59/89/78/927598978.db2.gz JFIFHBCACMXUGV-NWDGAFQWSA-N 1 0 278.400 1.721 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(O)c1O ZINC000780938451 937206961 /nfs/dbraw/zinc/20/69/61/937206961.db2.gz LXQNXKKSXBYZFH-LLVKDONJSA-N 1 0 278.352 1.430 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)c(O)c1 ZINC000852889099 927908649 /nfs/dbraw/zinc/90/86/49/927908649.db2.gz BRBOMSCPQIIRDG-CYBMUJFWSA-N 1 0 278.352 1.405 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)CO1 ZINC001169349820 927954289 /nfs/dbraw/zinc/95/42/89/927954289.db2.gz RGXRDKFTGZHYSD-YPMHNXCESA-N 1 0 295.335 1.298 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCCOCCO)cc1F ZINC000858157582 928812671 /nfs/dbraw/zinc/81/26/71/928812671.db2.gz ICDDAKIWKCUICC-UHFFFAOYSA-N 1 0 288.338 1.519 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C/C=C\CO)cc1F ZINC000858188607 928818579 /nfs/dbraw/zinc/81/85/79/928818579.db2.gz VUCMKHHFLBGFGM-ARJAWSKDSA-N 1 0 256.296 1.669 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000783721765 937278800 /nfs/dbraw/zinc/27/88/00/937278800.db2.gz NFBLLTRXIDEBNY-UHFFFAOYSA-N 1 0 292.335 1.475 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)c1nc(N)[nH+]c(N)n1 ZINC000858450670 928864618 /nfs/dbraw/zinc/86/46/18/928864618.db2.gz HHYUPQCVYBQKNH-UHFFFAOYSA-N 1 0 287.371 1.129 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H](C)S(C)(=O)=O)c1O ZINC000697615204 937284886 /nfs/dbraw/zinc/28/48/86/937284886.db2.gz YLBBRAQMBSZHMX-JTQLQIEISA-N 1 0 287.381 1.314 20 10 CDCDRO Cc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1N1CCCCC1 ZINC000859455101 929016668 /nfs/dbraw/zinc/01/66/68/929016668.db2.gz VTWKRVDBLRZACT-IRXDYDNUSA-N 1 0 290.407 1.523 20 10 CDCDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000784548894 937303175 /nfs/dbraw/zinc/30/31/75/937303175.db2.gz KUEJQSZQLJKIHE-MRXNPFEDSA-N 1 0 291.439 1.871 20 10 CDCDRO COC(=O)c1cc(OC)ccc1N(C)C(C)(C)C[NH3+] ZINC001170059212 929236448 /nfs/dbraw/zinc/23/64/48/929236448.db2.gz PZAOHXRJGDJLGZ-UHFFFAOYSA-N 1 0 266.341 1.655 20 10 CDCDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000861549093 929304223 /nfs/dbraw/zinc/30/42/23/929304223.db2.gz FSPSAPPOOQOMJS-NSHDSACASA-N 1 0 264.373 1.241 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000815101384 929946481 /nfs/dbraw/zinc/94/64/81/929946481.db2.gz XTTMHBPKLQKUFE-ZBFHGGJFSA-N 1 0 278.396 1.318 20 10 CDCDRO CON(C)CC[NH2+]Cc1c(O)cccc1Br ZINC000883171112 930156228 /nfs/dbraw/zinc/15/62/28/930156228.db2.gz ORWOKLLDEWKZKG-UHFFFAOYSA-N 1 0 289.173 1.738 20 10 CDCDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000883898294 930314330 /nfs/dbraw/zinc/31/43/30/930314330.db2.gz WZCNQEJQPFGUNU-LBPRGKRZSA-N 1 0 293.367 1.294 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1cccc(OC)c1O ZINC000133210602 930333221 /nfs/dbraw/zinc/33/32/21/930333221.db2.gz YGVOIDLTUUGBAE-UHFFFAOYSA-N 1 0 266.341 1.311 20 10 CDCDRO COC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000884483857 930582071 /nfs/dbraw/zinc/58/20/71/930582071.db2.gz AIPVBUJNQMJQMJ-LBPRGKRZSA-N 1 0 294.351 1.640 20 10 CDCDRO C[NH2+]CCN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000817954474 930643513 /nfs/dbraw/zinc/64/35/13/930643513.db2.gz ZIJKSIANZCKBBU-VIFPVBQESA-N 1 0 252.314 1.049 20 10 CDCDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817955223 930643872 /nfs/dbraw/zinc/64/38/72/930643872.db2.gz SVFLWUDVEUJKET-WDEREUQCSA-N 1 0 279.340 1.951 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817959944 930646743 /nfs/dbraw/zinc/64/67/43/930646743.db2.gz IBEVZPDGMJYLLT-VIFPVBQESA-N 1 0 266.341 1.567 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000817969586 930652587 /nfs/dbraw/zinc/65/25/87/930652587.db2.gz XVNCDPZIMIPTTI-AAEUAGOBSA-N 1 0 292.379 1.972 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CNCCO2)c1 ZINC000817983585 930658187 /nfs/dbraw/zinc/65/81/87/930658187.db2.gz OMOJXNAITSHTFS-CMPLNLGQSA-N 1 0 266.341 1.040 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000817983134 930658846 /nfs/dbraw/zinc/65/88/46/930658846.db2.gz YSUYMGJJQROBHO-GVXVVHGQSA-N 1 0 292.379 1.957 20 10 CDCDRO Cc1ccc(O)c(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000818431994 930708137 /nfs/dbraw/zinc/70/81/37/930708137.db2.gz ZXLZDJDLDHONIM-LSDHHAIUSA-N 1 0 286.379 1.361 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)C[NH3+])C2)cc1 ZINC000818613593 930728323 /nfs/dbraw/zinc/72/83/23/930728323.db2.gz UMADWTCFPOJPLW-STQMWFEESA-N 1 0 291.395 1.233 20 10 CDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819095836 930757834 /nfs/dbraw/zinc/75/78/34/930757834.db2.gz ILXSFJCHGDNARU-KRWDZBQOSA-N 1 0 290.407 1.940 20 10 CDCDRO C[C@@H](NC[C@H](O)C[NH+](C)C)c1c(O)cccc1F ZINC000886524338 930900748 /nfs/dbraw/zinc/90/07/48/930900748.db2.gz ISLXPONXEYVKGQ-ZJUUUORDSA-N 1 0 256.321 1.104 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000139745398 931008043 /nfs/dbraw/zinc/00/80/43/931008043.db2.gz OXZUTWPIUXUTEE-OAHLLOKOSA-N 1 0 294.370 1.828 20 10 CDCDRO CCOc1cccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000300083012 931082522 /nfs/dbraw/zinc/08/25/22/931082522.db2.gz FMRZQGQZNJYLHH-ZYHUDNBSSA-N 1 0 250.342 1.570 20 10 CDCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC001116770501 937470926 /nfs/dbraw/zinc/47/09/26/937470926.db2.gz GCTHBYBXNGEXDD-RYUDHWBXSA-N 1 0 267.300 1.963 20 10 CDCDRO O=C(NCc1cc(O)ccc1O)C1CC[NH+](C2CC2)CC1 ZINC001153886161 937481084 /nfs/dbraw/zinc/48/10/84/937481084.db2.gz YUDPZBNOBPICJQ-UHFFFAOYSA-N 1 0 290.363 1.588 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000824559592 931460552 /nfs/dbraw/zinc/46/05/52/931460552.db2.gz VWXMDBREDRUJFZ-ZDUSSCGKSA-N 1 0 294.395 1.337 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C(COC)COC)c1 ZINC000824921395 931486199 /nfs/dbraw/zinc/48/61/99/931486199.db2.gz KWTWGPRBIMCEPA-UHFFFAOYSA-N 1 0 269.341 1.542 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)F)cc1 ZINC000844162416 931557570 /nfs/dbraw/zinc/55/75/70/931557570.db2.gz BFWBCFIKLFJKFY-LBPRGKRZSA-N 1 0 267.348 1.617 20 10 CDCDRO CC[C@@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398715 931594955 /nfs/dbraw/zinc/59/49/55/931594955.db2.gz ACHMTZXNEYYKSE-CQSZACIVSA-N 1 0 266.385 1.834 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500304 931860447 /nfs/dbraw/zinc/86/04/47/931860447.db2.gz RENANFJOQQJNBE-ZDUSSCGKSA-N 1 0 253.298 1.008 20 10 CDCDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514518 931878136 /nfs/dbraw/zinc/87/81/36/931878136.db2.gz IWVZCGLBKIPZSZ-OAHLLOKOSA-N 1 0 295.335 1.579 20 10 CDCDRO OC[C@H](CCF)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000846097188 931979144 /nfs/dbraw/zinc/97/91/44/931979144.db2.gz NIMMNBNBXGFUBD-AWEZNQCLSA-N 1 0 282.359 1.333 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)CCF ZINC000846096408 931979980 /nfs/dbraw/zinc/97/99/80/931979980.db2.gz HMACNOFPGZSFBU-CYBMUJFWSA-N 1 0 254.349 1.871 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846145177 931986235 /nfs/dbraw/zinc/98/62/35/931986235.db2.gz LVGVCPSQQDNOHB-CHWSQXEVSA-N 1 0 294.395 1.772 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1O ZINC000846143919 931986633 /nfs/dbraw/zinc/98/66/33/931986633.db2.gz AVKOVUZQBIUHTI-DTWKUNHWSA-N 1 0 252.314 1.315 20 10 CDCDRO CCCNC(=O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846147657 931987302 /nfs/dbraw/zinc/98/73/02/931987302.db2.gz WZJLZAMSHPQZQB-LLVKDONJSA-N 1 0 280.368 1.968 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000846960204 932172299 /nfs/dbraw/zinc/17/22/99/932172299.db2.gz MVFOSGNPWAMLRL-QWHCGFSZSA-N 1 0 281.327 1.983 20 10 CDCDRO C[S@@](=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000134742198 937577949 /nfs/dbraw/zinc/57/79/49/937577949.db2.gz XAWQJFPJNMTTKY-SFHVURJKSA-N 1 0 266.410 1.755 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]1(CO)CCOC1 ZINC001118012529 937579849 /nfs/dbraw/zinc/57/98/49/937579849.db2.gz OKCBCOBKVJWFPB-HNNXBMFYSA-N 1 0 264.369 1.302 20 10 CDCDRO CC[C@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC[NH2+]C1 ZINC001118196942 937601537 /nfs/dbraw/zinc/60/15/37/937601537.db2.gz GKAFLXZPXINMSQ-ZBEGNZNMSA-N 1 0 292.379 1.968 20 10 CDCDRO Nc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000128859389 932739863 /nfs/dbraw/zinc/73/98/63/932739863.db2.gz OFNRAKGYBGJDNA-OCCSQVGLSA-N 1 0 259.353 1.369 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000686591886 934177682 /nfs/dbraw/zinc/17/76/82/934177682.db2.gz CPIAJXLUGVXQAU-JSGCOSHPSA-N 1 0 251.326 1.676 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000281371191 935718255 /nfs/dbraw/zinc/71/82/55/935718255.db2.gz VPOWXXSTFOJHGT-MFKMUULPSA-N 1 0 292.335 1.331 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCn2cncn2)c1 ZINC000381822582 935770299 /nfs/dbraw/zinc/77/02/99/935770299.db2.gz VBDCMKGLMAUWPK-LLVKDONJSA-N 1 0 276.340 1.733 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1C ZINC000800891054 935947415 /nfs/dbraw/zinc/94/74/15/935947415.db2.gz FBEDMCIBURMPMF-UHFFFAOYSA-N 1 0 298.408 1.179 20 10 CDCDRO COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000802310475 936036051 /nfs/dbraw/zinc/03/60/51/936036051.db2.gz VYIXYZHNQVHVBZ-FXPVBKGRSA-N 1 0 269.316 1.677 20 10 CDCDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC001122064810 937902633 /nfs/dbraw/zinc/90/26/33/937902633.db2.gz JEZIZDOKMNRPMN-ZWNOBZJWSA-N 1 0 280.368 1.781 20 10 CDCDRO CCN(C(=O)c1cc(O)c(O)c(O)c1)[C@H]1CCC[NH2+]C1 ZINC001161344713 938893322 /nfs/dbraw/zinc/89/33/22/938893322.db2.gz AYUUXRSUJODODO-JTQLQIEISA-N 1 0 280.324 1.018 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1O ZINC001203589790 939695017 /nfs/dbraw/zinc/69/50/17/939695017.db2.gz ONEYLSBHVRULSY-UXIGCNINSA-N 1 0 293.363 1.373 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c(O)c1 ZINC001203620635 939697230 /nfs/dbraw/zinc/69/72/30/939697230.db2.gz GQXGNBIEGLIFJV-NHYWBVRUSA-N 1 0 265.353 1.994 20 10 CDCDRO CCO[C@@H]1C[C@H]2CN(Cc3ccc(O)c(O)c3)CC[N@@H+]2C1 ZINC001203876368 939710293 /nfs/dbraw/zinc/71/02/93/939710293.db2.gz BTLOBXUUEGYILZ-UONOGXRCSA-N 1 0 292.379 1.393 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)[C@H]1C ZINC001203882503 939711396 /nfs/dbraw/zinc/71/13/96/939711396.db2.gz JTAFSIMSWOVIRP-CMPLNLGQSA-N 1 0 279.336 1.871 20 10 CDCDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(O)c(O)c3)C2)C1 ZINC001203880775 939711422 /nfs/dbraw/zinc/71/14/22/939711422.db2.gz ZIHHAHXEMQMPQN-HNNXBMFYSA-N 1 0 262.353 1.625 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203881428 939711510 /nfs/dbraw/zinc/71/15/10/939711510.db2.gz PYBMEVZZGLMHOM-CHWSQXEVSA-N 1 0 262.353 1.624 20 10 CDCDRO CN(C)c1ccc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)cc1 ZINC001203937901 939715407 /nfs/dbraw/zinc/71/54/07/939715407.db2.gz YHQWOTNGSYKEHV-MRXNPFEDSA-N 1 0 289.423 1.658 20 10 CDCDRO CC[N@@H+]1CCCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204343447 939757075 /nfs/dbraw/zinc/75/70/75/939757075.db2.gz QQDUZOPPULKDAL-UHFFFAOYSA-N 1 0 280.368 1.634 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)cc(O)c1O ZINC001204343445 939757368 /nfs/dbraw/zinc/75/73/68/939757368.db2.gz QQDLTEZZXHILNR-HNNXBMFYSA-N 1 0 299.342 1.793 20 10 CDCDRO COc1cc(CN2CC[NH+](C3CCC3)CC2)cc(O)c1O ZINC001204343407 939757806 /nfs/dbraw/zinc/75/78/06/939757806.db2.gz PLGFTZCRDODODH-UHFFFAOYSA-N 1 0 292.379 1.777 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c(OC)c1 ZINC001206064817 939973075 /nfs/dbraw/zinc/97/30/75/939973075.db2.gz FPNPSKDMCXMGRF-BXKDBHETSA-N 1 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COc1ccc(C[NH2+]C[C@](C)(O)C2CC2)c(O)c1OC ZINC001262360398 946608258 /nfs/dbraw/zinc/60/82/58/946608258.db2.gz FPQGAWWKFCFBTD-HNNXBMFYSA-N 1 0 281.352 1.660 20 10 CDCDRO COc1cc(N2CC[NH2+]CC2)ccc1/C(C)=C/C=C/N ZINC001244289224 947353778 /nfs/dbraw/zinc/35/37/78/947353778.db2.gz NZFMXJQTUZVXGR-MVXHYVOWSA-N 1 0 273.380 1.981 20 10 CDCDRO C[C@H]1C[C@@H](N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879492 948499055 /nfs/dbraw/zinc/49/90/55/948499055.db2.gz WDVWZXIZDXXJIT-FZMZJTMJSA-N 1 0 276.380 1.987 20 10 CDCDRO COC(=O)Cc1ccc(C[N@H+](C)C2CCOCC2)c(O)c1 ZINC001249172392 949439303 /nfs/dbraw/zinc/43/93/03/949439303.db2.gz LXLFKJHPRHLEIT-UHFFFAOYSA-N 1 0 293.363 1.719 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC001249178049 949440864 /nfs/dbraw/zinc/44/08/64/949440864.db2.gz ONASSGWRICMCSQ-LBPRGKRZSA-N 1 0 267.300 1.652 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c1 ZINC001249201147 949454506 /nfs/dbraw/zinc/45/45/06/949454506.db2.gz HMWJDCLRBSUFRJ-INIZCTEOSA-N 1 0 293.363 1.455 20 10 CDCDRO CCOC[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252049008 951099840 /nfs/dbraw/zinc/09/98/40/951099840.db2.gz INDQQPRHNVOTTL-LBPRGKRZSA-N 1 0 253.342 1.496 20 10 CDCDRO CN1C[C@H](C[N@H+](C)Cc2ccccc2O)OC1=O ZINC001327813289 955053270 /nfs/dbraw/zinc/05/32/70/955053270.db2.gz YSBOZSBRFZPXDT-NSHDSACASA-N 1 0 250.298 1.275 20 10 CDCDRO Oc1cc2c(cc1C[NH+]1CCC(F)CC1)[C@@H](O)CO2 ZINC001332135105 957446584 /nfs/dbraw/zinc/44/65/84/957446584.db2.gz KCBRTFDJAZDZDS-ZDUSSCGKSA-N 1 0 267.300 1.752 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2=O)c1 ZINC001320609730 959272677 /nfs/dbraw/zinc/27/26/77/959272677.db2.gz JXVMIYVTHZZUTC-HZMBPMFUSA-N 1 0 290.363 1.815 20 10 CDCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001321407761 959771046 /nfs/dbraw/zinc/77/10/46/959771046.db2.gz CORHGSATODTBLT-HOTGVXAUSA-N 1 0 276.380 1.214 20 10 CDCDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001337016711 960853310 /nfs/dbraw/zinc/85/33/10/960853310.db2.gz VIGNGNDGYOCXKU-OAHLLOKOSA-N 1 0 290.411 1.942 20 10 CDCDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC001349486085 966363450 /nfs/dbraw/zinc/36/34/50/966363450.db2.gz DCNMCASZTGYHBT-HUUCEWRRSA-N 1 0 275.396 1.800 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848394296 969061422 /nfs/dbraw/zinc/06/14/22/969061422.db2.gz JMAPSALUQLBWSE-GOEBONIOSA-N 1 0 273.380 1.317 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848567002 969178183 /nfs/dbraw/zinc/17/81/83/969178183.db2.gz NWOWBHOQCBAGGU-LLVKDONJSA-N 1 0 288.351 1.176 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(O)(COC)CC2)c1O ZINC000848886871 969337083 /nfs/dbraw/zinc/33/70/83/969337083.db2.gz JSUGAPNMZALSLB-UHFFFAOYSA-N 1 0 279.380 1.928 20 10 CDCDRO CC1(C)C[NH2+]C[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001576472285 1171430162 /nfs/dbraw/zinc/43/01/62/1171430162.db2.gz GOIPGWQCJBDZBA-RYWCDNDXSA-N 1 0 276.336 1.225 20 10 CDCDRO CCCN(Cc1cnc(N)cn1)c1ccc(C[NH3+])cc1 ZINC001577527414 1171690957 /nfs/dbraw/zinc/69/09/57/1171690957.db2.gz WTJVNRLKCQOPRE-UHFFFAOYSA-N 1 0 271.368 1.934 20 10 CDCDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000295120422 199355807 /nfs/dbraw/zinc/35/58/07/199355807.db2.gz WMSJPHAKWQMIQD-INIZCTEOSA-N 1 0 293.363 1.712 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)C(F)(F)F)CC2 ZINC000295778145 199660240 /nfs/dbraw/zinc/66/02/40/199660240.db2.gz ARMIHTQVEFOXOY-SCZZXKLOSA-N 1 0 261.243 1.892 20 10 CDCDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(F)ccc1O ZINC000188746396 357933065 /nfs/dbraw/zinc/93/30/65/357933065.db2.gz OOQIUTCLPQXJMF-GFCCVEGCSA-N 1 0 296.386 1.808 20 10 CDCDRO CC(C)CN1CCN(Cc2ccccc2O)CC1=O ZINC000190098113 358052364 /nfs/dbraw/zinc/05/23/64/358052364.db2.gz OEWSEQUWEOIBQT-UHFFFAOYSA-N 1 0 262.353 1.692 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCN1CCC(O)CC1 ZINC000294783116 199180944 /nfs/dbraw/zinc/18/09/44/199180944.db2.gz GXDJMMQYBDBAOI-UHFFFAOYSA-N 1 0 268.332 1.078 20 10 CDCDRO CO[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000267803622 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ZINC000368116202 369364372 /nfs/dbraw/zinc/36/43/72/369364372.db2.gz UCIHIBCNKGPOJK-UONOGXRCSA-N 1 0 259.353 1.843 20 10 CDCDRO C[N@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000271859124 371081781 /nfs/dbraw/zinc/08/17/81/371081781.db2.gz INIZAIUZXHUHGR-UHFFFAOYSA-N 1 0 258.365 1.973 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273579555 371168105 /nfs/dbraw/zinc/16/81/05/371168105.db2.gz MIIBRMUUGMCVBX-UWVGGRQHSA-N 1 0 264.325 1.282 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCCOCC1)OCO2 ZINC000052084587 375597402 /nfs/dbraw/zinc/59/74/02/375597402.db2.gz RAMRNDFIWMAGKV-UHFFFAOYSA-N 1 0 251.282 1.343 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245977725 376348059 /nfs/dbraw/zinc/34/80/59/376348059.db2.gz OYMUOCRLEWBXAC-ZDUSSCGKSA-N 1 0 250.317 1.811 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000293754884 378588525 /nfs/dbraw/zinc/58/85/25/378588525.db2.gz OLUCFPSKDUFODE-NWDGAFQWSA-N 1 0 262.353 1.890 20 10 CDCDRO 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/nfs/dbraw/zinc/52/31/93/617523193.db2.gz PYBNWPXADWDQIH-GRYCIOLGSA-N 1 0 277.368 1.880 20 10 CDCDRO O=C(NCCCSc1nccs1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891674421 617532707 /nfs/dbraw/zinc/53/27/07/617532707.db2.gz KPXVTMNEATVJSH-UWVGGRQHSA-N 1 0 298.437 1.381 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000840892559 617671404 /nfs/dbraw/zinc/67/14/04/617671404.db2.gz AXWWRZSLJPJUBM-OLZOCXBDSA-N 1 0 277.412 1.846 20 10 CDCDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)N1Cc2cccc(O)c2C1 ZINC000892268355 617629213 /nfs/dbraw/zinc/62/92/13/617629213.db2.gz UROQNKDLIKRZOV-CQSZACIVSA-N 1 0 287.363 1.560 20 10 CDCDRO O=S(=O)(CC[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000840965849 617863773 /nfs/dbraw/zinc/86/37/73/617863773.db2.gz ONVHRQZMPUWQGN-UHFFFAOYSA-N 1 0 273.329 1.198 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c(O)c1OC ZINC000893707116 617894280 /nfs/dbraw/zinc/89/42/80/617894280.db2.gz NNVXNFVDPVPCKL-NEPJUHHUSA-N 1 0 281.352 1.658 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c(O)c1OC ZINC000893009098 618050922 /nfs/dbraw/zinc/05/09/22/618050922.db2.gz PMWYVEGPZFSEHR-LLVKDONJSA-N 1 0 294.351 1.120 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c(O)c1OC ZINC000893070371 618121779 /nfs/dbraw/zinc/12/17/79/618121779.db2.gz HTJSRYSBTOXGTA-JQWIXIFHSA-N 1 0 281.352 1.924 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)C2CC2)c(O)c1OC ZINC000892441289 618206840 /nfs/dbraw/zinc/20/68/40/618206840.db2.gz MVCKXBDTCYSMLU-UHFFFAOYSA-N 1 0 294.351 1.025 20 10 CDCDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922588795 618270458 /nfs/dbraw/zinc/27/04/58/618270458.db2.gz BMSKJVYVJDQQLF-MRXNPFEDSA-N 1 0 290.407 1.822 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1F ZINC000818234219 618503278 /nfs/dbraw/zinc/50/32/78/618503278.db2.gz VKOXVXOZBJESHZ-LBPRGKRZSA-N 1 0 293.342 1.129 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCNC(=O)C(C)C)c1O ZINC000894148515 618634341 /nfs/dbraw/zinc/63/43/41/618634341.db2.gz ZHAIZSLMORVTST-UHFFFAOYSA-N 1 0 280.368 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COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000872126168 1165382203 /nfs/dbraw/zinc/38/22/03/1165382203.db2.gz JAEVMPDZCKQXCQ-DCAQKATOSA-N 1 0 251.326 1.822 20 10 CDCDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCOC[C@H]2O)c2c1c(F)ccc2O ZINC000872141220 1165383810 /nfs/dbraw/zinc/38/38/10/1165383810.db2.gz QYQDHCQDEOQGLF-UIMWLRQOSA-N 1 0 281.327 1.819 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000872792958 1165482811 /nfs/dbraw/zinc/48/28/11/1165482811.db2.gz GTEPZYZHVLWQBF-UHFFFAOYSA-N 1 0 292.379 1.899 20 10 CDCDRO Oc1ccc(F)cc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229927 1165528304 /nfs/dbraw/zinc/52/83/04/1165528304.db2.gz IYHONMDRUUPOFN-ZIAGYGMSSA-N 1 0 250.317 1.906 20 10 CDCDRO Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000876686945 1165895200 /nfs/dbraw/zinc/89/52/00/1165895200.db2.gz CDAGDVGROJKUER-HZPDHXFCSA-N 1 0 290.407 1.732 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(O)CCOCC1 ZINC000877014524 1165958437 /nfs/dbraw/zinc/95/84/37/1165958437.db2.gz 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CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000399107930 784006802 /nfs/dbraw/zinc/00/68/02/784006802.db2.gz JEJZSCMVHFJAQD-AWEZNQCLSA-N 1 0 261.369 1.496 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846073465 783610825 /nfs/dbraw/zinc/61/08/25/783610825.db2.gz VIFRVKGOYSYILM-LLVKDONJSA-N 1 0 290.363 1.501 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)cc1 ZINC000873779192 783755796 /nfs/dbraw/zinc/75/57/96/783755796.db2.gz QFXGJBBJLOSBBB-CYBMUJFWSA-N 1 0 291.395 1.294 20 10 CDCDRO CCOc1cccc(C[N@H+](C)[C@@]2(CO)CCOC2)c1O ZINC000862427147 783843441 /nfs/dbraw/zinc/84/34/41/783843441.db2.gz UVFPVMGTPZYANG-OAHLLOKOSA-N 1 0 281.352 1.374 20 10 CDCDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000818977071 783889580 /nfs/dbraw/zinc/88/95/80/783889580.db2.gz AALUMWVWKOQIEY-VUDGCMKMSA-N 1 0 290.363 1.664 20 10 CDCDRO CCN(C)C(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182415133 784022895 /nfs/dbraw/zinc/02/28/95/784022895.db2.gz CXADTNNLXNHRFX-LLVKDONJSA-N 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ZINC000930851813 785059301 /nfs/dbraw/zinc/05/93/01/785059301.db2.gz APAHOJIPDSIUTC-UHFFFAOYSA-N 1 0 296.411 1.725 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1F ZINC000858298474 785384575 /nfs/dbraw/zinc/38/45/75/785384575.db2.gz SHZJJPVJCKIHLL-CYBMUJFWSA-N 1 0 281.375 1.048 20 10 CDCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000832177784 785386032 /nfs/dbraw/zinc/38/60/32/785386032.db2.gz GMQNGZPIXWLQPU-SNVBAGLBSA-N 1 0 266.341 1.405 20 10 CDCDRO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000840959495 785391241 /nfs/dbraw/zinc/39/12/41/785391241.db2.gz WSACEUQDZDWIFU-AWEZNQCLSA-N 1 0 292.379 1.237 20 10 CDCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000884138009 785392989 /nfs/dbraw/zinc/39/29/89/785392989.db2.gz BISGYMXXZGHYEQ-SNVBAGLBSA-N 1 0 299.465 1.987 20 10 CDCDRO O=S1(=O)CCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000808427606 785436529 /nfs/dbraw/zinc/43/65/29/785436529.db2.gz YHOASCSWQVEVMA-LLVKDONJSA-N 1 0 269.366 1.307 20 10 CDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCNC2=O)c(O)c1 ZINC000886745041 785606839 /nfs/dbraw/zinc/60/68/39/785606839.db2.gz MNFLKUJVWKBMIE-LBPRGKRZSA-N 1 0 277.368 1.685 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069141378 785632475 /nfs/dbraw/zinc/63/24/75/785632475.db2.gz SDZDVCFVEXZGSS-WDEREUQCSA-N 1 0 299.392 1.629 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H](C)c2ncnn2C)c1O ZINC000848905626 785817255 /nfs/dbraw/zinc/81/72/55/785817255.db2.gz KNWOBLGGGAYXEP-JTQLQIEISA-N 1 0 260.341 1.934 20 10 CDCDRO c1cnn(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921579031 785841002 /nfs/dbraw/zinc/84/10/02/785841002.db2.gz OOFSGBXFGIPXCC-UHFFFAOYSA-N 1 0 257.337 1.998 20 10 CDCDRO COc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1C ZINC000391413639 786019746 /nfs/dbraw/zinc/01/97/46/786019746.db2.gz MZPNUPOAJHFQPV-UHFFFAOYSA-N 1 0 285.409 1.916 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000877618149 786049581 /nfs/dbraw/zinc/04/95/81/786049581.db2.gz JBYKBSWKIRDJGB-LBPRGKRZSA-N 1 0 272.352 1.476 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c1O ZINC000229121243 786117053 /nfs/dbraw/zinc/11/70/53/786117053.db2.gz BVPYWCOMENHHSO-GFCCVEGCSA-N 1 0 298.770 1.765 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000817894698 786159643 /nfs/dbraw/zinc/15/96/43/786159643.db2.gz PZDYOFWXVMGWPG-GDBMZVCRSA-N 1 0 291.439 1.918 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC000793286095 786161006 /nfs/dbraw/zinc/16/10/06/786161006.db2.gz OORNQOSNCHBHIN-CYBMUJFWSA-N 1 0 292.379 1.749 20 10 CDCDRO CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649122 786193268 /nfs/dbraw/zinc/19/32/68/786193268.db2.gz ISKDJPVHMMBDLT-VXGBXAGGSA-N 1 0 252.358 1.355 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840922166 786235152 /nfs/dbraw/zinc/23/51/52/786235152.db2.gz JMTHETFMYMHDOP-CYBMUJFWSA-N 1 0 277.412 1.875 20 10 CDCDRO CCOCCCNC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025137 786351551 /nfs/dbraw/zinc/35/15/51/786351551.db2.gz PDUSSTDXNFYSCQ-UHFFFAOYSA-N 1 0 281.356 1.441 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818997133 786368126 /nfs/dbraw/zinc/36/81/26/786368126.db2.gz SGGGQPKZHLXMMD-CQSZACIVSA-N 1 0 265.353 1.499 20 10 CDCDRO COc1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000832178610 786375108 /nfs/dbraw/zinc/37/51/08/786375108.db2.gz UBUCCXFWDOTKGH-LLVKDONJSA-N 1 0 278.352 1.407 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)C[NH3+])c1 ZINC000841961359 786377063 /nfs/dbraw/zinc/37/70/63/786377063.db2.gz AJDDOJYNNCFJJR-UWVGGRQHSA-N 1 0 281.356 1.356 20 10 CDCDRO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1c(O)cccc1F ZINC000886511448 786395821 /nfs/dbraw/zinc/39/58/21/786395821.db2.gz UHJDJKYGBABKAU-NEPJUHHUSA-N 1 0 282.359 1.639 20 10 CDCDRO Cc1ccc(C[NH2+]CCCN(C)S(C)(=O)=O)c(O)c1 ZINC000876928527 786462517 /nfs/dbraw/zinc/46/25/17/786462517.db2.gz IAOFAMFGJKEECQ-UHFFFAOYSA-N 1 0 286.397 1.072 20 10 CDCDRO CCOC(=O)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000859258304 786481103 /nfs/dbraw/zinc/48/11/03/786481103.db2.gz MHRJRNTWCZFRAZ-WFASDCNBSA-N 1 0 294.395 1.717 20 10 CDCDRO C[C@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000789556543 786499152 /nfs/dbraw/zinc/49/91/52/786499152.db2.gz BUOQCLOUPZMOJR-CQSZACIVSA-N 1 0 265.309 1.468 20 10 CDCDRO CN(C)c1ccc(CN[C@@H](C[NH3+])C2CC2)cc1F ZINC000841027682 786769305 /nfs/dbraw/zinc/76/93/05/786769305.db2.gz FFYSJLCFDRLRFF-ZDUSSCGKSA-N 1 0 251.349 1.719 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000776253513 786770505 /nfs/dbraw/zinc/77/05/05/786770505.db2.gz XDZLQDFDIMFEHI-OLZOCXBDSA-N 1 0 262.353 1.705 20 10 CDCDRO Cc1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c(O)c1 ZINC000877578400 786823580 /nfs/dbraw/zinc/82/35/80/786823580.db2.gz CJLFWYKJYPEBIS-KBPBESRZSA-N 1 0 274.364 1.944 20 10 CDCDRO CC[NH2+]CCNCc1ccc(N2CCOCC2)cc1 ZINC000841037201 786824152 /nfs/dbraw/zinc/82/41/52/786824152.db2.gz PYMBMFODHWGDKJ-UHFFFAOYSA-N 1 0 263.385 1.222 20 10 CDCDRO CCCNC(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311852386 786867915 /nfs/dbraw/zinc/86/79/15/786867915.db2.gz JGJHXGWCTHXLBH-GFCCVEGCSA-N 1 0 262.353 1.885 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@H](CO)CCF)CC2)cc1 ZINC000846098168 786888021 /nfs/dbraw/zinc/88/80/21/786888021.db2.gz NWWKHVFQKFMAFQ-AWEZNQCLSA-N 1 0 296.386 1.974 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCc2ccn(C)n2)c1 ZINC000230943483 786923031 /nfs/dbraw/zinc/92/30/31/786923031.db2.gz MWXSDXCTYSYGMK-UHFFFAOYSA-N 1 0 261.325 1.467 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])C2)c1O ZINC000050242546 787045032 /nfs/dbraw/zinc/04/50/32/787045032.db2.gz DCBPVBDPHQXUJH-NSHDSACASA-N 1 0 252.289 1.267 20 10 CDCDRO NC(=O)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000834882969 787094264 /nfs/dbraw/zinc/09/42/64/787094264.db2.gz WFHQUOSSQUSCEN-UHFFFAOYSA-N 1 0 285.347 1.638 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CN2CCOCC2)c1 ZINC000308640187 787314851 /nfs/dbraw/zinc/31/48/51/787314851.db2.gz RNCSXNYQRCCSAY-UHFFFAOYSA-N 1 0 294.395 1.601 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000846676999 787398846 /nfs/dbraw/zinc/39/88/46/787398846.db2.gz MARMSTJWCYWFMW-NWDGAFQWSA-N 1 0 292.379 1.968 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877494970 787523334 /nfs/dbraw/zinc/52/33/34/787523334.db2.gz QSAPXUPKTHZBSQ-HNNXBMFYSA-N 1 0 262.353 1.659 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877607394 787537852 /nfs/dbraw/zinc/53/78/52/787537852.db2.gz AFBYTGAUMAIYEL-CHWSQXEVSA-N 1 0 279.336 1.056 20 10 CDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000843119763 787588608 /nfs/dbraw/zinc/58/86/08/787588608.db2.gz IROLQJLTTCHIBW-VHSXEESVSA-N 1 0 264.325 1.303 20 10 CDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CNCCO2)c1O ZINC000817983001 787673130 /nfs/dbraw/zinc/67/31/30/787673130.db2.gz JKZUBDMPVPUDCP-CMPLNLGQSA-N 1 0 284.787 1.993 20 10 CDCDRO COC(=O)NC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000827928966 787804458 /nfs/dbraw/zinc/80/44/58/787804458.db2.gz DMZZXXAFBOJJJF-UHFFFAOYSA-N 1 0 294.351 1.721 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000878983903 787805250 /nfs/dbraw/zinc/80/52/50/787805250.db2.gz OEEXECLFYZPGNG-JKSUJKDBSA-N 1 0 278.396 1.460 20 10 CDCDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1c(F)ccc(O)c1O ZINC000825771650 787880938 /nfs/dbraw/zinc/88/09/38/787880938.db2.gz YUPVRTAHSJWSDO-JTQLQIEISA-N 1 0 294.326 1.451 20 10 CDCDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000398367307 787884367 /nfs/dbraw/zinc/88/43/67/787884367.db2.gz MZQCKGXFBBSSAP-LBPRGKRZSA-N 1 0 263.385 1.929 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000840938992 787898275 /nfs/dbraw/zinc/89/82/75/787898275.db2.gz IWQCNFKXBAXGQU-MRXNPFEDSA-N 1 0 277.412 1.217 20 10 CDCDRO Cn1cncc1CCn1cc(COc2ccc(N)cc2)nn1 ZINC000881369475 787930337 /nfs/dbraw/zinc/93/03/37/787930337.db2.gz OKQHPZXABXGVGN-UHFFFAOYSA-N 1 0 298.350 1.416 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCN2CCCO)cc1C ZINC000824559599 787962883 /nfs/dbraw/zinc/96/28/83/787962883.db2.gz WETWODYWGKDWFL-MRXNPFEDSA-N 1 0 292.423 1.945 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000827131780 788000143 /nfs/dbraw/zinc/00/01/43/788000143.db2.gz CFFULGLZQBHZPN-SMDDNHRTSA-N 1 0 290.363 1.501 20 10 CDCDRO C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841881631 788010054 /nfs/dbraw/zinc/01/00/54/788010054.db2.gz UAASDFMQIFYYDD-NEPJUHHUSA-N 1 0 278.400 1.802 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c(O)c1 ZINC000877466219 788076571 /nfs/dbraw/zinc/07/65/71/788076571.db2.gz FGYKVQZFJSJWHD-WCQYABFASA-N 1 0 251.326 1.282 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886229903 788097793 /nfs/dbraw/zinc/09/77/93/788097793.db2.gz XNRJZFOBIMKMAK-RYUDHWBXSA-N 1 0 281.352 1.420 20 10 CDCDRO COc1cccc(O)c1CNC[C@H]1CCCC[NH2+]1 ZINC000841032633 788242745 /nfs/dbraw/zinc/24/27/45/788242745.db2.gz IKSCPTMROVXYGY-LLVKDONJSA-N 1 0 250.342 1.633 20 10 CDCDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000930210520 788340937 /nfs/dbraw/zinc/34/09/37/788340937.db2.gz NEBBMKSCNHNQEK-LBPRGKRZSA-N 1 0 279.340 1.451 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCNC2=O)c1 ZINC000050394277 788373726 /nfs/dbraw/zinc/37/37/26/788373726.db2.gz XNLKMBWUAPFTLI-JOYOIKCWSA-N 1 0 264.325 1.330 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cncn2C)cc1 ZINC000844401384 788449985 /nfs/dbraw/zinc/44/99/85/788449985.db2.gz MWTQXBMYKDIURE-UHFFFAOYSA-N 1 0 288.395 1.997 20 10 CDCDRO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000817415681 788597523 /nfs/dbraw/zinc/59/75/23/788597523.db2.gz WQRNNPYTXBZCHK-ZDUSSCGKSA-N 1 0 279.359 1.602 20 10 CDCDRO CN1C(=O)[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2C1=O ZINC000877719823 788686195 /nfs/dbraw/zinc/68/61/95/788686195.db2.gz GHJZMOOUKVVVOM-PHIMTYICSA-N 1 0 294.738 1.092 20 10 CDCDRO OC[C@@H](CC(F)F)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000717812486 788720518 /nfs/dbraw/zinc/72/05/18/788720518.db2.gz VZONPIRCESFNJM-MRVPVSSYSA-N 1 0 275.251 1.227 20 10 CDCDRO CCN1C[C@@H](C[NH2+]Cc2ccc(C)cc2O)CC1=O ZINC000877613247 788806510 /nfs/dbraw/zinc/80/65/10/788806510.db2.gz BVHLAVWINBRVLQ-GFCCVEGCSA-N 1 0 262.353 1.659 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C(=O)NCCF ZINC000877500631 788857659 /nfs/dbraw/zinc/85/76/59/788857659.db2.gz WDYMOUPKEWBJSW-JTQLQIEISA-N 1 0 254.305 1.264 20 10 CDCDRO COCCC[N@H+](C)CCNC(=O)c1ccc(C)c(O)c1O ZINC000179516988 788879021 /nfs/dbraw/zinc/87/90/21/788879021.db2.gz CDLAYRAXHZALHY-UHFFFAOYSA-N 1 0 296.367 1.104 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226585867 789068994 /nfs/dbraw/zinc/06/89/94/789068994.db2.gz FTLCRAXIOUMGQP-UHFFFAOYSA-N 1 0 254.305 1.537 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1OC ZINC000857062306 789072377 /nfs/dbraw/zinc/07/23/77/789072377.db2.gz ZWGXQNQBCNUXFN-DGCLKSJQSA-N 1 0 295.379 1.860 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)C2CC2)cc1F ZINC000858136145 789075547 /nfs/dbraw/zinc/07/55/47/789075547.db2.gz LKUNSYXAJJSYTK-CQSZACIVSA-N 1 0 270.323 1.891 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1F ZINC000862426794 789098954 /nfs/dbraw/zinc/09/89/54/789098954.db2.gz OQFLOQPUCHJCKK-OAHLLOKOSA-N 1 0 282.359 1.475 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)ccc1N(C)C ZINC000815098660 789157133 /nfs/dbraw/zinc/15/71/33/789157133.db2.gz LMMPSTZGYAZQHZ-KBPBESRZSA-N 1 0 266.360 1.966 20 10 CDCDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@H]21 ZINC000861912854 789182074 /nfs/dbraw/zinc/18/20/74/789182074.db2.gz TYIJIRIXBJIRLT-BRLMCLPJSA-N 1 0 288.347 1.129 20 10 CDCDRO [NH3+]CCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000237926240 789331207 /nfs/dbraw/zinc/33/12/07/789331207.db2.gz GXFYYDMLYKFACL-UHFFFAOYSA-N 1 0 293.436 1.595 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000858298049 789483582 /nfs/dbraw/zinc/48/35/82/789483582.db2.gz JHNBCRCPHMQZHL-QGZVFWFLSA-N 1 0 291.439 1.689 20 10 CDCDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000848566633 789512513 /nfs/dbraw/zinc/51/25/13/789512513.db2.gz CTCFNWJVIKKIDG-NSHDSACASA-N 1 0 258.325 1.168 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]Cc2nccn2C)c1O ZINC000846147750 789539527 /nfs/dbraw/zinc/53/95/27/789539527.db2.gz VKPWFMUYMQTFAN-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299752 789587524 /nfs/dbraw/zinc/58/75/24/789587524.db2.gz NLGDSJNRELSAAP-ZDUSSCGKSA-N 1 0 262.357 1.827 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCCC1 ZINC000126497495 789656053 /nfs/dbraw/zinc/65/60/53/789656053.db2.gz GHNIEOMYGMGDTD-JTQLQIEISA-N 1 0 264.325 1.312 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000129866847 789745116 /nfs/dbraw/zinc/74/51/16/789745116.db2.gz JDUYGJBBVSWBRV-MRVPVSSYSA-N 1 0 259.400 1.479 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccnc2)cc1 ZINC000832283767 789849120 /nfs/dbraw/zinc/84/91/20/789849120.db2.gz BEWKZFTXWRLAMC-OAHLLOKOSA-N 1 0 284.363 1.577 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1ccccc1O ZINC000879648765 1166391961 /nfs/dbraw/zinc/39/19/61/1166391961.db2.gz CSQOIHCSMPWWDU-RDBSUJKOSA-N 1 0 295.379 1.599 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001206201631 912556492 /nfs/dbraw/zinc/55/64/92/912556492.db2.gz YSDBMLQPDDIYJJ-OLZOCXBDSA-N 1 0 298.358 1.671 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3cnnnc3)cc2)CC1 ZINC001167434924 895688315 /nfs/dbraw/zinc/68/83/15/895688315.db2.gz ZPTGUIMPYDVHKW-UHFFFAOYSA-N 1 0 284.367 1.236 20 10 CDCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000699833189 914331868 /nfs/dbraw/zinc/33/18/68/914331868.db2.gz FTUNHDZZUPZAEC-SCZZXKLOSA-N 1 0 251.282 1.245 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1O ZINC000699842008 914342608 /nfs/dbraw/zinc/34/26/08/914342608.db2.gz XLDVHUQBNZLYCR-PWSUYJOCSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1ccc(C[NH+]2CCC(NC(C)=O)CC2)c(O)c1 ZINC000092670386 901894865 /nfs/dbraw/zinc/89/48/65/901894865.db2.gz DCDXMPCGSOFUPR-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000167856651 911681341 /nfs/dbraw/zinc/68/13/41/911681341.db2.gz 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294.370 1.428 20 10 CDCDRO NC(=O)C1([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000191485159 934565913 /nfs/dbraw/zinc/56/59/13/934565913.db2.gz GAITURZIAHVAHA-UHFFFAOYSA-N 1 0 285.141 1.262 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001120591926 937814891 /nfs/dbraw/zinc/81/48/91/937814891.db2.gz MNRFVDVYYHXKCS-OAHLLOKOSA-N 1 0 288.395 1.649 20 10 CDCDRO CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1O ZINC000119123526 935726195 /nfs/dbraw/zinc/72/61/95/935726195.db2.gz VXUUGYCEFAWNFS-CYBMUJFWSA-N 1 0 262.353 1.959 20 10 CDCDRO [NH3+]C[C@]1(F)CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC001157765721 938543012 /nfs/dbraw/zinc/54/30/12/938543012.db2.gz UTAYBTARQRCSBS-AWEZNQCLSA-N 1 0 282.315 1.391 20 10 CDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCc3cccc(O)c3C2)C1 ZINC001160872599 938835373 /nfs/dbraw/zinc/83/53/73/938835373.db2.gz MPWRMBUBHMKZGD-BXUZGUMPSA-N 1 0 274.364 1.665 20 10 CDCDRO COC(=O)COc1ccc(N(CCC[NH3+])C(C)C)cc1 ZINC001164128982 939415521 /nfs/dbraw/zinc/41/55/21/939415521.db2.gz 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[NH3+][C@H]1CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205117755 939824724 /nfs/dbraw/zinc/82/47/24/939824724.db2.gz UIURPDMOGFQTGD-JTQLQIEISA-N 1 0 252.314 1.117 20 10 CDCDRO CC(C)(C)c1ccc(CN2CC[C@@H](O)[C@H]([NH3+])C2)c(O)c1 ZINC001206102237 939980950 /nfs/dbraw/zinc/98/09/50/939980950.db2.gz UPNXLUZBXVGSIA-ZIAGYGMSSA-N 1 0 278.396 1.584 20 10 CDCDRO Cc1cccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1O ZINC001206133188 939984581 /nfs/dbraw/zinc/98/45/81/939984581.db2.gz ZCLDUEIQDIJYNB-NSHDSACASA-N 1 0 256.296 1.869 20 10 CDCDRO COc1cc(O)c(CN2CC(C)(C[NH3+])C2)cc1OC ZINC001206738299 940083246 /nfs/dbraw/zinc/08/32/46/940083246.db2.gz ZHSZOBQGGXRTJH-UHFFFAOYSA-N 1 0 266.341 1.190 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(O)c1 ZINC000179470747 940826974 /nfs/dbraw/zinc/82/69/74/940826974.db2.gz NYXQOROPPYBVHU-ZDUSSCGKSA-N 1 0 288.351 1.829 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1C ZINC000400149484 940843354 /nfs/dbraw/zinc/84/33/54/940843354.db2.gz AUPPRQSYOKTQJK-CYBMUJFWSA-N 1 0 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ZINC001233284561 943531744 /nfs/dbraw/zinc/53/17/44/943531744.db2.gz ZJOQQMLPWHDTMJ-WFASDCNBSA-N 1 0 279.380 1.475 20 10 CDCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@H]12 ZINC001233335524 943548007 /nfs/dbraw/zinc/54/80/07/943548007.db2.gz ZFDIJYLBDCXVJC-IUCAKERBSA-N 1 0 282.290 1.238 20 10 CDCDRO COC(CN(C)Cc1c(O)ccc(F)c1F)OC ZINC001233335386 943548397 /nfs/dbraw/zinc/54/83/97/943548397.db2.gz SOFIAMFKUHNOER-UHFFFAOYSA-N 1 0 261.268 1.721 20 10 CDCDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N)cc2)C1(C)C ZINC001263303545 943821913 /nfs/dbraw/zinc/82/19/13/943821913.db2.gz ACMXVNCVGDJXQZ-CZUORRHYSA-N 1 0 291.395 1.418 20 10 CDCDRO Cn1cncc1C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC001263330918 943834086 /nfs/dbraw/zinc/83/40/86/943834086.db2.gz ZUIKTWQVYFTQSS-UHFFFAOYSA-N 1 0 298.390 1.951 20 10 CDCDRO COc1cc(CN2CCCC[C@]23CC[NH2+]C3)cc(O)c1O ZINC001235123452 944063972 /nfs/dbraw/zinc/06/39/72/944063972.db2.gz JXWFLZSORJUMSR-MRXNPFEDSA-N 1 0 292.379 1.824 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235175187 944079956 /nfs/dbraw/zinc/07/99/56/944079956.db2.gz YLQBGAGRRZILFH-XJKSGUPXSA-N 1 0 275.396 1.684 20 10 CDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1ccc(Cl)cc1O)C2 ZINC001235998694 944367390 /nfs/dbraw/zinc/36/73/90/944367390.db2.gz YZAIIOKUHAJEML-GWCFXTLKSA-N 1 0 252.745 1.969 20 10 CDCDRO C[C@H]1CN(Cc2ccc3c(c2)OCCN3C)[C@@H](C)C[NH2+]1 ZINC001236075134 944400760 /nfs/dbraw/zinc/40/07/60/944400760.db2.gz UQJFWQWQSVUPPT-STQMWFEESA-N 1 0 275.396 1.697 20 10 CDCDRO COC(=O)[C@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@H]1[NH3+] ZINC001236358082 944483218 /nfs/dbraw/zinc/48/32/18/944483218.db2.gz TYRKKJLNZONAIP-NWDGAFQWSA-N 1 0 298.770 1.286 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)cc1OC ZINC001236750360 944557275 /nfs/dbraw/zinc/55/72/75/944557275.db2.gz RHYTTYZLUAUOAX-JQWIXIFHSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@]23CCOC3)cc1OC ZINC001236755102 944558188 /nfs/dbraw/zinc/55/81/88/944558188.db2.gz YXAQBWYTLVOQCY-OAHLLOKOSA-N 1 0 279.336 1.774 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCOC[C@](C)(O)C2)c(O)c1 ZINC001236782530 944566052 /nfs/dbraw/zinc/56/60/52/944566052.db2.gz CABCXFBILYIHFU-OAHLLOKOSA-N 1 0 265.353 1.538 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CC(CO)C3)c(F)c2)CC1 ZINC001236934099 944618767 /nfs/dbraw/zinc/61/87/67/944618767.db2.gz CPBDZHKGWKPEON-UHFFFAOYSA-N 1 0 293.386 1.002 20 10 CDCDRO Nc1ccc(NS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC001237604889 944874509 /nfs/dbraw/zinc/87/45/09/944874509.db2.gz NTEZTCWJFHCLAO-UHFFFAOYSA-N 1 0 269.370 1.010 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(F)cc(C)c1O ZINC001238055701 945043175 /nfs/dbraw/zinc/04/31/75/945043175.db2.gz BXSOZOTYJMYOIH-UHFFFAOYSA-N 1 0 271.332 1.935 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CC3(C2)CCN(C)C3=O)c1O ZINC001238067383 945049217 /nfs/dbraw/zinc/04/92/17/945049217.db2.gz SWLBSRBDNIZTSQ-UHFFFAOYSA-N 1 0 278.327 1.504 20 10 CDCDRO C[C@H](Cc1ccccn1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001256395043 948300332 /nfs/dbraw/zinc/30/03/32/948300332.db2.gz CTPLEULLLVYQHR-BZNIZROVSA-N 1 0 288.347 1.747 20 10 CDCDRO C[C@H]1C[C@H](N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]1 ZINC001246879494 948499071 /nfs/dbraw/zinc/49/90/71/948499071.db2.gz WDVWZXIZDXXJIT-SMDDNHRTSA-N 1 0 276.380 1.987 20 10 CDCDRO COCC(COC)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001334775269 954274638 /nfs/dbraw/zinc/27/46/38/954274638.db2.gz URHSBTHNVKZNIK-UHFFFAOYSA-N 1 0 293.411 1.048 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2=O)c1 ZINC001320609732 959272934 /nfs/dbraw/zinc/27/29/34/959272934.db2.gz JXVMIYVTHZZUTC-QMTHXVAHSA-N 1 0 290.363 1.815 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)NCc1ccc(N)cc1 ZINC001335552007 959885339 /nfs/dbraw/zinc/88/53/39/959885339.db2.gz TYLZEDSQYSSNGX-JTQLQIEISA-N 1 0 250.346 1.066 20 10 CDCDRO CC[C@]1(C(=O)N[C@H](C)c2ccccc2O)CC[NH2+]C1 ZINC001335789813 960025320 /nfs/dbraw/zinc/02/53/20/960025320.db2.gz WOOCIVIMEUOQQB-ABAIWWIYSA-N 1 0 262.353 1.959 20 10 CDCDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(N)cc1 ZINC001337070839 960913038 /nfs/dbraw/zinc/91/30/38/960913038.db2.gz XVSXOQNDURETPY-AWEZNQCLSA-N 1 0 278.400 1.784 20 10 CDCDRO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001337834353 961455227 /nfs/dbraw/zinc/45/52/27/961455227.db2.gz QGIVAOVVADRMKL-CYBMUJFWSA-N 1 0 297.424 1.030 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC001337834094 961455914 /nfs/dbraw/zinc/45/59/14/961455914.db2.gz MUSGKVOSFLICOQ-CQSZACIVSA-N 1 0 259.353 1.512 20 10 CDCDRO C[C@]1(C[NH3+])CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001338792713 962000191 /nfs/dbraw/zinc/00/01/91/962000191.db2.gz HPKGLCFAEYERRE-CQSZACIVSA-N 1 0 262.357 1.149 20 10 CDCDRO Nc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001352789013 967481331 /nfs/dbraw/zinc/48/13/31/967481331.db2.gz UCOBWZUGFCOBQJ-OAHLLOKOSA-N 1 0 275.396 1.423 20 10 CDCDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N)cc1 ZINC001352788125 967481989 /nfs/dbraw/zinc/48/19/89/967481989.db2.gz CSVRJRPPMGCMGH-ZDUSSCGKSA-N 1 0 263.385 1.421 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483913 342429076 /nfs/dbraw/zinc/42/90/76/342429076.db2.gz ZVUCBPKWHATXGY-GASCZTMLSA-N 1 0 264.369 1.070 20 10 CDCDRO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000051993841 362187418 /nfs/dbraw/zinc/18/74/18/362187418.db2.gz QLRUPWMJSXQFLT-IRXDYDNUSA-N 1 0 290.407 1.916 20 10 CDCDRO CCOC(=O)[C@](C)(O)C[N@H+](C)Cc1ccccc1O ZINC000274660483 365754469 /nfs/dbraw/zinc/75/44/69/365754469.db2.gz PHNNBENVYYSOFI-CQSZACIVSA-N 1 0 267.325 1.138 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)[NH3+] ZINC000841824464 784137799 /nfs/dbraw/zinc/13/77/99/784137799.db2.gz PPYWECFGLCFPLM-LLVKDONJSA-N 1 0 264.373 1.207 20 10 CDCDRO C[C@@H]1C[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000072872250 345378667 /nfs/dbraw/zinc/37/86/67/345378667.db2.gz QWMXOJBFSPVVHO-ZIAGYGMSSA-N 1 0 289.423 1.957 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(C)(O)CC2)c1 ZINC000180285785 357258978 /nfs/dbraw/zinc/25/89/78/357258978.db2.gz XNMHULLMGUXKJO-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188729260 357931190 /nfs/dbraw/zinc/93/11/90/357931190.db2.gz FXEYXJHKFIVJCD-DZGCQCFKSA-N 1 0 293.386 1.849 20 10 CDCDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccccc1O ZINC000188747008 357933109 /nfs/dbraw/zinc/93/31/09/357933109.db2.gz ANFOQJPHSHPVCA-CYBMUJFWSA-N 1 0 278.396 1.669 20 10 CDCDRO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000188856647 357945666 /nfs/dbraw/zinc/94/56/66/357945666.db2.gz HGPVDNMOAGYZLO-JTQLQIEISA-N 1 0 255.314 1.270 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000367670558 358206202 /nfs/dbraw/zinc/20/62/02/358206202.db2.gz NMIDYMVRRYBOIC-LLVKDONJSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000192994953 358256281 /nfs/dbraw/zinc/25/62/81/358256281.db2.gz IHIJWOLEYFPOIR-JSGCOSHPSA-N 1 0 265.353 1.754 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O ZINC000294026601 358582182 /nfs/dbraw/zinc/58/21/82/358582182.db2.gz VIJMNQGBFFJLOT-ZDUSSCGKSA-N 1 0 297.420 1.957 20 10 CDCDRO C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2O)C[C@@H](C)O1 ZINC000111235101 359196963 /nfs/dbraw/zinc/19/69/63/359196963.db2.gz LSVJMRXALDOGIW-CHWSQXEVSA-N 1 0 292.379 1.460 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000227099551 359783856 /nfs/dbraw/zinc/78/38/56/359783856.db2.gz WJQSPKXAZRTNBZ-CQSZACIVSA-N 1 0 267.300 1.691 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1C ZINC000229638956 360106686 /nfs/dbraw/zinc/10/66/86/360106686.db2.gz DBVSEIZXFROAJY-CQSZACIVSA-N 1 0 251.326 1.245 20 10 CDCDRO C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)Cc1ccccc1O ZINC000269632237 364274286 /nfs/dbraw/zinc/27/42/86/364274286.db2.gz MCCAELYGLPFUNJ-SECBINFHSA-N 1 0 290.285 1.891 20 10 CDCDRO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccccc1O ZINC000269892506 364371658 /nfs/dbraw/zinc/37/16/58/364371658.db2.gz CQYRFCGLUQMLLN-RDJZCZTQSA-N 1 0 287.359 1.966 20 10 CDCDRO CN(C)c1ccc(CNc2cc[nH+]cc2C(N)=O)cc1F ZINC000302207865 364465871 /nfs/dbraw/zinc/46/58/71/364465871.db2.gz FIXDGQSGGIVLDE-UHFFFAOYSA-N 1 0 288.326 1.998 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000273577846 365507768 /nfs/dbraw/zinc/50/77/68/365507768.db2.gz MBBUUYQKYLQZNM-WPRPVWTQSA-N 1 0 268.744 1.927 20 10 CDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273558566 365508848 /nfs/dbraw/zinc/50/88/48/365508848.db2.gz HNCUWXHGSMCPAL-RYUDHWBXSA-N 1 0 253.342 1.667 20 10 CDCDRO CC[C@@H](C(N)=O)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000361597022 368926877 /nfs/dbraw/zinc/92/68/77/368926877.db2.gz JTZZAYOCNAUZFJ-HNNXBMFYSA-N 1 0 291.395 1.471 20 10 CDCDRO COCC[N@H+](CCO)Cc1cc(Cl)cc(OC)c1O ZINC000184687665 262025799 /nfs/dbraw/zinc/02/57/99/262025799.db2.gz XNNJKDSKDYJWOC-UHFFFAOYSA-N 1 0 289.759 1.495 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCNC(=O)C2)c(O)c1 ZINC000877494388 784317660 /nfs/dbraw/zinc/31/76/60/784317660.db2.gz VRMDMRJVQUVYDE-NSHDSACASA-N 1 0 264.325 1.159 20 10 CDCDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185467270 262305159 /nfs/dbraw/zinc/30/51/59/262305159.db2.gz KUIUMFHEWBPUMN-ABAIWWIYSA-N 1 0 283.368 1.839 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036933063 260052372 /nfs/dbraw/zinc/05/23/72/260052372.db2.gz PBIGFZKVTDMASS-QWHCGFSZSA-N 1 0 294.395 1.772 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1cccc(OC)c1O ZINC000105651068 390515911 /nfs/dbraw/zinc/51/59/11/390515911.db2.gz FFXPFMWZUVMCST-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CN(C)c1ccc(CN(C)CCS(C)(=O)=O)cc1 ZINC000122570393 390903754 /nfs/dbraw/zinc/90/37/54/390903754.db2.gz MFVPQLKEYHDMIR-UHFFFAOYSA-N 1 0 270.398 1.229 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCC[C@@H]1O)OCO2 ZINC000052002600 390965638 /nfs/dbraw/zinc/96/56/38/390965638.db2.gz ZKMZHYBDWOUEGQ-QWRGUYRKSA-N 1 0 265.309 1.514 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1C ZINC000193674532 391344007 /nfs/dbraw/zinc/34/40/07/391344007.db2.gz LVPQLTGFFHQNIK-OTYXRUKQSA-N 1 0 262.353 1.623 20 10 CDCDRO CCOc1cccc(C[NH2+]CCCOCCOC)c1O ZINC000020192070 171058278 /nfs/dbraw/zinc/05/82/78/171058278.db2.gz NCKQRYQZXBIFCA-UHFFFAOYSA-N 1 0 283.368 1.934 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCOCCO ZINC000020198975 171062827 /nfs/dbraw/zinc/06/28/27/171062827.db2.gz GLOOUJWMGSDPGS-NWDGAFQWSA-N 1 0 265.353 1.847 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036933062 260052189 /nfs/dbraw/zinc/05/21/89/260052189.db2.gz PBIGFZKVTDMASS-OLZOCXBDSA-N 1 0 294.395 1.772 20 10 CDCDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000092010930 260490462 /nfs/dbraw/zinc/49/04/62/260490462.db2.gz ZTIVBFOWTUMYHD-UHFFFAOYSA-N 1 0 263.385 1.696 20 10 CDCDRO c1[nH]nc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000363937795 262044369 /nfs/dbraw/zinc/04/43/69/262044369.db2.gz LSGMVZRFCKKWPQ-CQSZACIVSA-N 1 0 269.348 1.992 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1 ZINC000184920983 262300249 /nfs/dbraw/zinc/30/02/49/262300249.db2.gz GQNBZROOVIHHQM-LLVKDONJSA-N 1 0 286.397 1.291 20 10 CDCDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000272818275 263009096 /nfs/dbraw/zinc/00/90/96/263009096.db2.gz FJGPBZRYVXKKNR-MFKMUULPSA-N 1 0 261.325 1.510 20 10 CDCDRO C[NH2+]C[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000237162180 277273244 /nfs/dbraw/zinc/27/32/44/277273244.db2.gz XREIXLVBRHKSDR-LLVKDONJSA-N 1 0 277.368 1.334 20 10 CDCDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cccc(O)c31)CC2 ZINC000297773034 279141345 /nfs/dbraw/zinc/14/13/45/279141345.db2.gz PFNUWXVWUBWUCQ-QWHCGFSZSA-N 1 0 284.363 1.884 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1F ZINC000264960566 328163666 /nfs/dbraw/zinc/16/36/66/328163666.db2.gz NXBAWHTXJUZMDM-UHFFFAOYSA-N 1 0 265.332 1.260 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(O)c1O ZINC000272914739 328201625 /nfs/dbraw/zinc/20/16/25/328201625.db2.gz DNEFWWWWXSZIFO-WCQYABFASA-N 1 0 290.363 1.572 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218371 327189998 /nfs/dbraw/zinc/18/99/98/327189998.db2.gz FIVFFBYWGXQOFZ-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000134230817 329657968 /nfs/dbraw/zinc/65/79/68/329657968.db2.gz REPUGCCIHDYZQO-QWRGUYRKSA-N 1 0 250.342 1.785 20 10 CDCDRO Cc1ccc(O)c(CN2CCOC[C@H]2C[NH+](C)C)c1 ZINC001140622571 1159187440 /nfs/dbraw/zinc/18/74/40/1159187440.db2.gz AIDMGCWTBSEKOD-CQSZACIVSA-N 1 0 264.369 1.463 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCCOCCO)c1O ZINC000230935735 333322652 /nfs/dbraw/zinc/32/26/52/333322652.db2.gz KDUKPHKADCGZKW-UHFFFAOYSA-N 1 0 289.759 1.543 20 10 CDCDRO Nc1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC001120544571 1161029265 /nfs/dbraw/zinc/02/92/65/1161029265.db2.gz BHRCULWSKWXMNB-CQSZACIVSA-N 1 0 276.384 1.600 20 10 CDCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000292469642 519796121 /nfs/dbraw/zinc/79/61/21/519796121.db2.gz MRMBSBADUYBABU-OAHLLOKOSA-N 1 0 275.396 1.886 20 10 CDCDRO CCOCc1cc(C[NH2+]CC(=O)NC2CC2)ccc1OC ZINC000299463388 520185333 /nfs/dbraw/zinc/18/53/33/520185333.db2.gz GUNIBXYEVMEWSL-UHFFFAOYSA-N 1 0 292.379 1.600 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000188501279 520201551 /nfs/dbraw/zinc/20/15/51/520201551.db2.gz UDTAXLMLRLNFGU-WDEREUQCSA-N 1 0 280.368 1.918 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000280315864 521150853 /nfs/dbraw/zinc/15/08/53/521150853.db2.gz OVFQZDCUUMITDZ-GXTWGEPZSA-N 1 0 295.379 1.526 20 10 CDCDRO CCOc1cccc(C[NH2+]CCN(C)CCOC)c1O ZINC000061375400 521362817 /nfs/dbraw/zinc/36/28/17/521362817.db2.gz HLEWEOBZWVFPPP-UHFFFAOYSA-N 1 0 282.384 1.459 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@]2(CCO)CCOC2)c1O ZINC000278493219 521373171 /nfs/dbraw/zinc/37/31/71/521373171.db2.gz LTBQDLKWMNQDIY-HNNXBMFYSA-N 1 0 281.352 1.422 20 10 CDCDRO C[NH2+]CCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000237187297 521989842 /nfs/dbraw/zinc/98/98/42/521989842.db2.gz GDUHAQOYOLLFGF-UHFFFAOYSA-N 1 0 275.396 1.685 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000276860665 522180535 /nfs/dbraw/zinc/18/05/35/522180535.db2.gz WURJICULMPCDII-MRXNPFEDSA-N 1 0 287.407 1.949 20 10 CDCDRO COCCO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000275627312 524036910 /nfs/dbraw/zinc/03/69/10/524036910.db2.gz SSRUISICRREGPW-LBPRGKRZSA-N 1 0 295.335 1.358 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000096810811 524615094 /nfs/dbraw/zinc/61/50/94/524615094.db2.gz HYWFUKMJXCKDAP-JTQLQIEISA-N 1 0 265.309 1.732 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnn2C)c1 ZINC000071333078 524765511 /nfs/dbraw/zinc/76/55/11/524765511.db2.gz VFTPVXRAVVAVNZ-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000129559011 525308815 /nfs/dbraw/zinc/30/88/15/525308815.db2.gz RXDVZDYVTWPAFX-AWEZNQCLSA-N 1 0 265.309 1.468 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000279665126 525952539 /nfs/dbraw/zinc/95/25/39/525952539.db2.gz MLENHROYFCDVBM-MLGOLLRUSA-N 1 0 293.363 1.781 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299546561 526753515 /nfs/dbraw/zinc/75/35/15/526753515.db2.gz WLRZPGNSSLTWNK-KBPBESRZSA-N 1 0 289.379 1.818 20 10 CDCDRO OCCOCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000020199155 527557033 /nfs/dbraw/zinc/55/70/33/527557033.db2.gz NCAGXFUMKZEWJA-UHFFFAOYSA-N 1 0 278.396 1.775 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccccc2O)CCC1(F)F ZINC000291351930 527620614 /nfs/dbraw/zinc/62/06/14/527620614.db2.gz XJJNDWORWUKBJK-LLVKDONJSA-N 1 0 257.280 1.842 20 10 CDCDRO C[C@H]1CN(CC[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000733328202 575114979 /nfs/dbraw/zinc/11/49/79/575114979.db2.gz KSNNRPMPYOAMCJ-NSHDSACASA-N 1 0 284.787 1.856 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(OCCO)CC2)c1 ZINC000769537622 575357746 /nfs/dbraw/zinc/35/77/46/575357746.db2.gz NBIUOSCPOFYTBN-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000770382892 575444080 /nfs/dbraw/zinc/44/40/80/575444080.db2.gz SVQGUVNJCGQACL-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO CN(CC[N@H+](C)C1CC1)C(=O)C1=CC(=O)CS1 ZINC000771742131 575607439 /nfs/dbraw/zinc/60/74/39/575607439.db2.gz APCKLWKPIRPVSD-UHFFFAOYSA-N 1 0 254.355 1.620 20 10 CDCDRO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCC[NH+](C)C ZINC000773739718 575837024 /nfs/dbraw/zinc/83/70/24/575837024.db2.gz JCEUDPYNLPMZEZ-GFCCVEGCSA-N 1 0 294.395 1.877 20 10 CDCDRO CCOCC[N@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768450113 576284582 /nfs/dbraw/zinc/28/45/82/576284582.db2.gz IDIXZHZGUNUVQA-AWEZNQCLSA-N 1 0 281.352 1.676 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000769304738 576344177 /nfs/dbraw/zinc/34/41/77/576344177.db2.gz DDLPFDOJKGJPFS-GFCCVEGCSA-N 1 0 293.363 1.986 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000757657726 577048733 /nfs/dbraw/zinc/04/87/33/577048733.db2.gz FSUHJXKGYHPCJV-IAQYHMDHSA-N 1 0 295.379 1.839 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCOC(C)C)cc1OC ZINC000757977148 577064795 /nfs/dbraw/zinc/06/47/95/577064795.db2.gz FRWOHVDELKHIFP-UHFFFAOYSA-N 1 0 269.341 1.924 20 10 CDCDRO CCN(C(=O)c1cccc(O)c1O)[C@H]1CCC[NH2+]C1 ZINC000126099085 1175432831 /nfs/dbraw/zinc/43/28/31/1175432831.db2.gz FJWJLJUZSUESKM-JTQLQIEISA-N 1 0 264.325 1.312 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(OC)c(OC)c1O ZINC000891451551 617413807 /nfs/dbraw/zinc/41/38/07/617413807.db2.gz XDBJZVVBRYLFLA-UHFFFAOYSA-N 1 0 299.367 1.504 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000892038140 617430282 /nfs/dbraw/zinc/43/02/82/617430282.db2.gz AICMYFCSMDSADK-GJZGRUSLSA-N 1 0 288.395 1.347 20 10 CDCDRO CC[C@](C)(O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892515836 617468584 /nfs/dbraw/zinc/46/85/84/617468584.db2.gz ZOHCVBJYFOJRPO-AWEZNQCLSA-N 1 0 269.341 1.660 20 10 CDCDRO COc1ccc(C[NH2+][C@]2(C)CCOC2)c(O)c1OC ZINC000893242076 617485154 /nfs/dbraw/zinc/48/51/54/617485154.db2.gz UGYQBAPIHIDEPJ-CQSZACIVSA-N 1 0 267.325 1.678 20 10 CDCDRO C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891979516 617930058 /nfs/dbraw/zinc/93/00/58/617930058.db2.gz PRJJHGHRLUYHJI-RYUDHWBXSA-N 1 0 277.368 1.752 20 10 CDCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000892792204 617752868 /nfs/dbraw/zinc/75/28/68/617752868.db2.gz RJGAULLTXAKTLR-CMPLNLGQSA-N 1 0 269.366 1.305 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000893985315 618238118 /nfs/dbraw/zinc/23/81/18/618238118.db2.gz BBYYUMUJFPKKGH-LLVKDONJSA-N 1 0 251.326 1.523 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894259052 618311847 /nfs/dbraw/zinc/31/18/47/618311847.db2.gz PYUBWQZFXQYAAY-OAHLLOKOSA-N 1 0 283.368 1.586 20 10 CDCDRO Nc1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000832250719 618641487 /nfs/dbraw/zinc/64/14/87/618641487.db2.gz ZODHPWHLMMTFKL-AWEZNQCLSA-N 1 0 285.351 1.642 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CN2CCOCC2)c1O ZINC000894175541 618658717 /nfs/dbraw/zinc/65/87/17/618658717.db2.gz BDYFLKSEXTVCMC-CYBMUJFWSA-N 1 0 294.395 1.520 20 10 CDCDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841063975 618679183 /nfs/dbraw/zinc/67/91/83/618679183.db2.gz CYTJNBLIKSPARU-PBHICJAKSA-N 1 0 289.423 1.753 20 10 CDCDRO COC[C@@]1(CNCc2cc(OC)ccc2O)CCC[NH2+]1 ZINC000841067084 618680057 /nfs/dbraw/zinc/68/00/57/618680057.db2.gz JRTGKJQOPLDUDJ-HNNXBMFYSA-N 1 0 280.368 1.259 20 10 CDCDRO CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841070136 618680736 /nfs/dbraw/zinc/68/07/36/618680736.db2.gz MAFRMFXTCRUMBT-VIFPVBQESA-N 1 0 273.720 1.781 20 10 CDCDRO CCC[C@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCO2 ZINC000843058011 618692019 /nfs/dbraw/zinc/69/20/19/618692019.db2.gz KYODSMSIUYJWLF-LBPRGKRZSA-N 1 0 278.352 1.695 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000894432251 618881137 /nfs/dbraw/zinc/88/11/37/618881137.db2.gz XQXBCDDYAPJIKY-NWDGAFQWSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c(O)c1OC ZINC000894753399 619043679 /nfs/dbraw/zinc/04/36/79/619043679.db2.gz KQFVGMKGOZTLEU-MWLCHTKSSA-N 1 0 267.325 1.365 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(O)c1OC ZINC000894973802 619171328 /nfs/dbraw/zinc/17/13/28/619171328.db2.gz YVLAAMCUTZHTCD-LBPRGKRZSA-N 1 0 294.351 1.120 20 10 CDCDRO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1O ZINC000895118861 619311209 /nfs/dbraw/zinc/31/12/09/619311209.db2.gz QMJMVCVDITVSMJ-QJPTWQEYSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1C ZINC000895315558 619545000 /nfs/dbraw/zinc/54/50/00/619545000.db2.gz BNBGRNDXWNCHMT-CYBMUJFWSA-N 1 0 262.353 1.618 20 10 CDCDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000895317503 619549510 /nfs/dbraw/zinc/54/95/10/619549510.db2.gz WRMHTDCFSDEWEM-LLVKDONJSA-N 1 0 252.289 1.146 20 10 CDCDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)[C@H]1OC ZINC000895581824 619744966 /nfs/dbraw/zinc/74/49/66/619744966.db2.gz SSRHXIZNGIWGIZ-NWANDNLSSA-N 1 0 265.353 1.983 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1cccc(OC)c1O ZINC000896715869 620211176 /nfs/dbraw/zinc/21/11/76/620211176.db2.gz ZIFADUKYEFCWED-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Cl)cc1O ZINC000841751521 620925284 /nfs/dbraw/zinc/92/52/84/620925284.db2.gz NLOVPJVGZBKWMD-TVQRCGJNSA-N 1 0 271.744 1.848 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CCC([NH3+])CC2)cc1F ZINC000841761618 621018597 /nfs/dbraw/zinc/01/85/97/621018597.db2.gz PWUBBHIDUYNKMX-UHFFFAOYSA-N 1 0 294.374 1.524 20 10 CDCDRO C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841050143 621596031 /nfs/dbraw/zinc/59/60/31/621596031.db2.gz YHOQHGHPKFRKHT-ZETCQYMHSA-N 1 0 273.720 1.638 20 10 CDCDRO COc1ccc(O)c(CN[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000841064337 621625179 /nfs/dbraw/zinc/62/51/79/621625179.db2.gz FDDNGTTZSLOOMU-ZWNOBZJWSA-N 1 0 250.342 1.631 20 10 CDCDRO CC1(C)CC[N@H+](CCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000900826592 623537241 /nfs/dbraw/zinc/53/72/41/623537241.db2.gz AEWIYCMQMINADH-UHFFFAOYSA-N 1 0 296.342 1.699 20 10 CDCDRO CC[N@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000901426981 624234255 /nfs/dbraw/zinc/23/42/55/624234255.db2.gz WLPHJZCDZWFGDT-UHFFFAOYSA-N 1 0 291.395 1.345 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000903448535 625999628 /nfs/dbraw/zinc/99/96/28/625999628.db2.gz PKJHGGXHQCYKNP-IUODEOHRSA-N 1 0 292.427 1.209 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCOCC(F)F ZINC000788077651 633070437 /nfs/dbraw/zinc/07/04/37/633070437.db2.gz PHFQERKOIYBLGA-UHFFFAOYSA-N 1 0 261.268 1.772 20 10 CDCDRO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877544390 1166054372 /nfs/dbraw/zinc/05/43/72/1166054372.db2.gz PCDTTYDUNPRKNY-CQSZACIVSA-N 1 0 265.353 1.938 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)OCCCF)cc1 ZINC001578424511 1171905867 /nfs/dbraw/zinc/90/58/67/1171905867.db2.gz JSEHQBYTMHFTHK-ZDUSSCGKSA-N 1 0 283.347 1.838 20 10 CDCDRO C[NH2+]CCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001578687529 1171981546 /nfs/dbraw/zinc/98/15/46/1171981546.db2.gz WEKQQCJQHKSWPZ-UHFFFAOYSA-N 1 0 294.376 1.994 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CCC12C[NH2+]C2 ZINC001579617356 1172225477 /nfs/dbraw/zinc/22/54/77/1172225477.db2.gz NZBDXIJGOBFUIW-UHFFFAOYSA-N 1 0 288.395 1.318 20 10 CDCDRO O=C(NCc1c(O)cccc1F)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001580707631 1172518789 /nfs/dbraw/zinc/51/87/89/1172518789.db2.gz DACAXEPRHWSSFD-IGJMFERPSA-N 1 0 264.300 1.003 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000160368107 790261689 /nfs/dbraw/zinc/26/16/89/790261689.db2.gz KDMHSYZWXPCSJM-OAHLLOKOSA-N 1 0 275.396 1.983 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000830865547 790301583 /nfs/dbraw/zinc/30/15/83/790301583.db2.gz NYVJCDMIACWOTR-UKRRQHHQSA-N 1 0 292.379 1.108 20 10 CDCDRO Nc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000841299582 790316557 /nfs/dbraw/zinc/31/65/57/790316557.db2.gz FBKVQZGSAMFQRZ-CQSZACIVSA-N 1 0 274.368 1.875 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CC2CC2)cc1 ZINC000049238084 790332674 /nfs/dbraw/zinc/33/26/74/790332674.db2.gz ODYPPFUZBQLRPB-UHFFFAOYSA-N 1 0 275.396 1.711 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000877656315 790400370 /nfs/dbraw/zinc/40/03/70/790400370.db2.gz DUDKKLZCYIQTJW-ZYHUDNBSSA-N 1 0 269.366 1.366 20 10 CDCDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@]1(F)CC[NH2+]C1 ZINC000830597409 790453930 /nfs/dbraw/zinc/45/39/30/790453930.db2.gz HKPZLLKZFKUQST-INIZCTEOSA-N 1 0 292.354 1.589 20 10 CDCDRO O=C(C[NH2+]Cc1c(O)cccc1Br)NC1CC1 ZINC000706852277 790524986 /nfs/dbraw/zinc/52/49/86/790524986.db2.gz ZJUPEOUSDDYHQV-UHFFFAOYSA-N 1 0 299.168 1.523 20 10 CDCDRO CC[NH+](CC)CCOCCNC(=O)C1=CC(=O)CS1 ZINC000832137312 790730666 /nfs/dbraw/zinc/73/06/66/790730666.db2.gz IRFTZIZOSQXPEP-UHFFFAOYSA-N 1 0 286.397 1.542 20 10 CDCDRO COC[C@](C)(CO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825429842 790860179 /nfs/dbraw/zinc/86/01/79/790860179.db2.gz PMNQJBRQWSSVJU-ZDUSSCGKSA-N 1 0 273.760 1.841 20 10 CDCDRO COc1cccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1O ZINC000227968621 790894681 /nfs/dbraw/zinc/89/46/81/790894681.db2.gz OBDGPBVOEZQIGP-IINYFYTJSA-N 1 0 267.325 1.030 20 10 CDCDRO COCCN1[C@H](C)C[N@@H+](Cc2ccccc2O)C[C@@H]1C ZINC000179576601 790913461 /nfs/dbraw/zinc/91/34/61/790913461.db2.gz DAKWNHHIKSTFRS-OKILXGFUSA-N 1 0 278.396 1.933 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1O ZINC000848903516 791098169 /nfs/dbraw/zinc/09/81/69/791098169.db2.gz VDADJXZTWUVVJZ-CYBMUJFWSA-N 1 0 298.408 1.208 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1C ZINC000191524668 791102119 /nfs/dbraw/zinc/10/21/19/791102119.db2.gz XXPQXNFVORGERC-JSGCOSHPSA-N 1 0 265.353 1.591 20 10 CDCDRO CC[C@@]1(O)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000779218509 789893702 /nfs/dbraw/zinc/89/37/02/789893702.db2.gz FYKLTXHXTVYMJU-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC3(COC3)C2)cc1OC ZINC000853598912 789913286 /nfs/dbraw/zinc/91/32/86/789913286.db2.gz YLEWJGQBYBKEGD-UHFFFAOYSA-N 1 0 279.336 1.632 20 10 CDCDRO CCNC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000036780407 789925007 /nfs/dbraw/zinc/92/50/07/789925007.db2.gz YICHPMSMSZLPRB-VIFPVBQESA-N 1 0 252.314 1.188 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c(O)c1 ZINC000809785606 790024642 /nfs/dbraw/zinc/02/46/42/790024642.db2.gz WPGOFANBQOFBDE-LLVKDONJSA-N 1 0 278.352 1.488 20 10 CDCDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779522998 790033314 /nfs/dbraw/zinc/03/33/14/790033314.db2.gz XTNGYLWQKJBLMA-FWPCIQOSSA-N 1 0 292.379 1.813 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CCCO)cc1 ZINC000844399067 790036271 /nfs/dbraw/zinc/03/62/71/790036271.db2.gz FPEOHAWUZBJTNP-UHFFFAOYSA-N 1 0 252.358 1.446 20 10 CDCDRO Cn1cc(CN2CC[NH+](Cc3ccccc3O)CC2)cn1 ZINC000779007301 790058051 /nfs/dbraw/zinc/05/80/51/790058051.db2.gz BZEHCWXOGMZYDI-UHFFFAOYSA-N 1 0 286.379 1.444 20 10 CDCDRO COCC[NH+](CCOC)Cc1c(C)cccc1O ZINC000876526552 790084174 /nfs/dbraw/zinc/08/41/74/790084174.db2.gz XBXMPUBLCUXPKQ-UHFFFAOYSA-N 1 0 253.342 1.795 20 10 CDCDRO CON(C)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000883170917 790101618 /nfs/dbraw/zinc/10/16/18/790101618.db2.gz JAAXIWLHSSJFOD-AATRIKPKSA-N 1 0 263.385 1.849 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2cccc(CC)c2O)C1 ZINC000848907062 790215532 /nfs/dbraw/zinc/21/55/32/790215532.db2.gz HVTVYYOCSMYLHM-UHFFFAOYSA-N 1 0 279.380 1.974 20 10 CDCDRO CN(C)c1cc(F)c(C[N@H+](C)CCCO)cc1F ZINC000862354181 790259105 /nfs/dbraw/zinc/25/91/05/790259105.db2.gz NVTXFLWLHLGYIT-UHFFFAOYSA-N 1 0 258.312 1.845 20 10 CDCDRO COc1ccc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000051889306 791205100 /nfs/dbraw/zinc/20/51/00/791205100.db2.gz GCXRXIRVLMQFKX-AWEZNQCLSA-N 1 0 275.396 1.427 20 10 CDCDRO CC[C@@H]1CN(C)CCN1C(=O)c1ccc(C)c(O)c1O ZINC000818977860 791274594 /nfs/dbraw/zinc/27/45/94/791274594.db2.gz NMOHCPSNWZRXGC-LLVKDONJSA-N 1 0 278.352 1.572 20 10 CDCDRO C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C[C@H]1C[NH3+] ZINC000841956133 791358038 /nfs/dbraw/zinc/35/80/38/791358038.db2.gz WFSOBLHSAMTRDU-TZMCWYRMSA-N 1 0 290.411 1.438 20 10 CDCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000825104155 791397118 /nfs/dbraw/zinc/39/71/18/791397118.db2.gz PRJFGGJFERGCBD-QMTHXVAHSA-N 1 0 252.333 1.847 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(F)F)cc1 ZINC000852792102 791461284 /nfs/dbraw/zinc/46/12/84/791461284.db2.gz RSLOJJVCKYHEQA-NSHDSACASA-N 1 0 271.311 1.524 20 10 CDCDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775835131 791582265 /nfs/dbraw/zinc/58/22/65/791582265.db2.gz RVKLPMRJWGCSQQ-LRDDRELGSA-N 1 0 294.395 1.717 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1O ZINC000848918199 791806893 /nfs/dbraw/zinc/80/68/93/791806893.db2.gz SAEDCIZEZWRWOP-ZIAGYGMSSA-N 1 0 265.353 1.130 20 10 CDCDRO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(Cl)cc1O ZINC000858547661 791842068 /nfs/dbraw/zinc/84/20/68/791842068.db2.gz ICHXAOXHVZQDCR-ZYHUDNBSSA-N 1 0 284.787 1.763 20 10 CDCDRO CCOc1ccc(C[NH2+]C2CCN(OC)CC2)c(O)c1 ZINC000817419886 791882789 /nfs/dbraw/zinc/88/27/89/791882789.db2.gz ZAYUGMUJQUBTHM-UHFFFAOYSA-N 1 0 280.368 1.906 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)C3)cc2)CC1 ZINC000877574088 791896013 /nfs/dbraw/zinc/89/60/13/791896013.db2.gz AIEBIBADIQUPLY-AKAXFMLLSA-N 1 0 276.380 1.261 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000840964249 791896240 /nfs/dbraw/zinc/89/62/40/791896240.db2.gz VIEPOXBNNURQAI-NVXWUHKLSA-N 1 0 292.423 1.938 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000841653322 791945312 /nfs/dbraw/zinc/94/53/12/791945312.db2.gz JIQSWEDNZNXICF-CQSZACIVSA-N 1 0 290.411 1.694 20 10 CDCDRO C[NH+](C)CCNC(=S)NCc1cc(Cl)ccc1O ZINC000844584183 792047127 /nfs/dbraw/zinc/04/71/27/792047127.db2.gz PYNPQNBECJWHNM-UHFFFAOYSA-N 1 0 287.816 1.571 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000834915637 792107703 /nfs/dbraw/zinc/10/77/03/792107703.db2.gz SKVAJKNBLAXPAR-GAJTVXKRSA-N 1 0 251.326 1.965 20 10 CDCDRO CC(C)(C[NH3+])NC(=O)NCCCSc1nccs1 ZINC000841855521 792253059 /nfs/dbraw/zinc/25/30/59/792253059.db2.gz AOCUHUCXNVXDGW-UHFFFAOYSA-N 1 0 288.442 1.662 20 10 CDCDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)c2ccc(N)cc2)C1(C)C ZINC000877077281 792301013 /nfs/dbraw/zinc/30/10/13/792301013.db2.gz BIXKDZXCIICQPK-XJKSGUPXSA-N 1 0 291.395 1.764 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCC[S@](C)=O)c1 ZINC000116918287 792321726 /nfs/dbraw/zinc/32/17/26/792321726.db2.gz DONDYNUCCXCJSV-GOSISDBHSA-N 1 0 271.382 1.649 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CCCN2CCCO)c1O ZINC000824559231 792396924 /nfs/dbraw/zinc/39/69/24/792396924.db2.gz LLAGKBGLFDIPKG-AWEZNQCLSA-N 1 0 294.395 1.337 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843052779 792460273 /nfs/dbraw/zinc/46/02/73/792460273.db2.gz WEAVCUZHBYPHHW-RYUDHWBXSA-N 1 0 264.369 1.960 20 10 CDCDRO OC[C@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000802660996 792575467 /nfs/dbraw/zinc/57/54/67/792575467.db2.gz CPWLCLQHNCBFMQ-INIZCTEOSA-N 1 0 294.370 1.430 20 10 CDCDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc(O)c1O ZINC000837174001 792604211 /nfs/dbraw/zinc/60/42/11/792604211.db2.gz BFQABZFHWIZGLN-UHFFFAOYSA-N 1 0 278.352 1.702 20 10 CDCDRO Cc1cccc(C[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846109335 792811076 /nfs/dbraw/zinc/81/10/76/792811076.db2.gz TYMFMAHRYYEUAH-HNNXBMFYSA-N 1 0 265.353 1.722 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCNC2=O)cc1F ZINC000858177403 792817578 /nfs/dbraw/zinc/81/75/78/792817578.db2.gz KMUGWXNIMUVCCB-JTQLQIEISA-N 1 0 297.349 1.647 20 10 CDCDRO CC[NH2+]CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841828268 792835177 /nfs/dbraw/zinc/83/51/77/792835177.db2.gz RNKOVZIXHJVSJL-UHFFFAOYSA-N 1 0 278.400 1.470 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000775393415 792898240 /nfs/dbraw/zinc/89/82/40/792898240.db2.gz LXJFINAZHFAXCB-CQSZACIVSA-N 1 0 296.436 1.728 20 10 CDCDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1O ZINC000848351918 792938509 /nfs/dbraw/zinc/93/85/09/792938509.db2.gz HOGUABJKHXNAPI-STQMWFEESA-N 1 0 290.363 1.845 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1F ZINC000827901404 792939117 /nfs/dbraw/zinc/93/91/17/792939117.db2.gz NIZRQUPKVWIILN-CYBMUJFWSA-N 1 0 279.359 1.506 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000841085323 792970527 /nfs/dbraw/zinc/97/05/27/792970527.db2.gz ZHVSJUFVFZOOCH-WDEREUQCSA-N 1 0 250.342 1.618 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c(O)c1 ZINC000877021592 793000769 /nfs/dbraw/zinc/00/07/69/793000769.db2.gz GRVQEPWCIOAOKF-HUUCEWRRSA-N 1 0 276.380 1.653 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](COC)OC)c1 ZINC000781416898 793112947 /nfs/dbraw/zinc/11/29/47/793112947.db2.gz SOUMPJGQOAOBRH-ZDUSSCGKSA-N 1 0 269.341 1.542 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])CC2CC2)c1 ZINC000884309989 793174524 /nfs/dbraw/zinc/17/45/24/793174524.db2.gz LMSSOIXJSWMNHM-TVQRCGJNSA-N 1 0 278.352 1.705 20 10 CDCDRO Nc1ccc(CCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000841952008 793237027 /nfs/dbraw/zinc/23/70/27/793237027.db2.gz YVPNTYYMPQFUNG-UKRRQHHQSA-N 1 0 290.411 1.628 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000841656230 793398203 /nfs/dbraw/zinc/39/82/03/793398203.db2.gz XQUSVKJLJWECHG-AWEZNQCLSA-N 1 0 290.411 1.551 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841760440 793709732 /nfs/dbraw/zinc/70/97/32/793709732.db2.gz VRNLPPCYPZSRCD-GFCCVEGCSA-N 1 0 290.411 1.606 20 10 CDCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnccn1 ZINC000817938536 793758774 /nfs/dbraw/zinc/75/87/74/793758774.db2.gz MRAQUXNDJLLKPD-DOMZBBRYSA-N 1 0 285.395 1.893 20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc(C)ccc1O ZINC000843123695 793835022 /nfs/dbraw/zinc/83/50/22/793835022.db2.gz NPDOLTNGKHDPDD-ZDUSSCGKSA-N 1 0 278.352 1.038 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(C)cc1O ZINC000794815405 793854669 /nfs/dbraw/zinc/85/46/69/793854669.db2.gz KKNJLSHHRQGPBH-HIFRSBDPSA-N 1 0 265.353 1.893 20 10 CDCDRO CC[N@H+](CCNC(=O)/C=C\c1ccc(O)c(O)c1)C(C)C ZINC000779523033 793865928 /nfs/dbraw/zinc/86/59/28/793865928.db2.gz YXTVRPLDTCPFDK-VURMDHGXSA-N 1 0 292.379 1.958 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)COC)cc1C ZINC000873122503 793970869 /nfs/dbraw/zinc/97/08/69/793970869.db2.gz SRFCMGCOASMUSN-CQSZACIVSA-N 1 0 267.369 1.881 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1F ZINC000844177979 794046623 /nfs/dbraw/zinc/04/66/23/794046623.db2.gz WZEXIROXZRTNSL-RTXFEEFZSA-N 1 0 277.343 1.258 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000050899524 794147298 /nfs/dbraw/zinc/14/72/98/794147298.db2.gz IAWPQJGWZRCYLN-UHFFFAOYSA-N 1 0 292.335 1.221 20 10 CDCDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC3)C2)cc1 ZINC000818219780 794202974 /nfs/dbraw/zinc/20/29/74/794202974.db2.gz DGZXJCQLYDVTIG-ZIAGYGMSSA-N 1 0 276.380 1.900 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000828667231 794385916 /nfs/dbraw/zinc/38/59/16/794385916.db2.gz OLERFVAYTUYVAG-VIFPVBQESA-N 1 0 290.319 1.944 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886255884 794390810 /nfs/dbraw/zinc/39/08/10/794390810.db2.gz OCVUBZBCBPONOL-AAADPQRBSA-N 1 0 257.717 1.019 20 10 CDCDRO CN(C)c1ccc(CN(C)Cc2n[n-]c(=O)o2)cc1 ZINC000852188051 794480862 /nfs/dbraw/zinc/48/08/62/794480862.db2.gz FISTYZBNXBRNQK-UHFFFAOYSA-N 1 0 262.313 1.473 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2(C)C[NH2+]C2)cc1F ZINC000827901558 794816065 /nfs/dbraw/zinc/81/60/65/794816065.db2.gz QIEXJRHIBXCVIU-UHFFFAOYSA-N 1 0 265.332 1.117 20 10 CDCDRO NC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841029660 794817774 /nfs/dbraw/zinc/81/77/74/794817774.db2.gz XYTFKQIIKCBVGK-MRXNPFEDSA-N 1 0 275.396 1.350 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H]2CCOC2)c(O)c1OC ZINC000892567744 794862878 /nfs/dbraw/zinc/86/28/78/794862878.db2.gz VKUCIZLWHPPTKD-JTQLQIEISA-N 1 0 267.325 1.536 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CCO)c1O ZINC000779201649 794866219 /nfs/dbraw/zinc/86/62/19/794866219.db2.gz FOJVBLVRXGVSQZ-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846166836 794885627 /nfs/dbraw/zinc/88/56/27/794885627.db2.gz DIHHJBMLRUPDBU-UWVGGRQHSA-N 1 0 255.314 1.059 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877066364 794888795 /nfs/dbraw/zinc/88/87/95/794888795.db2.gz KCSMFDHJGKIDOJ-LBPRGKRZSA-N 1 0 253.342 1.842 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000779499312 795026407 /nfs/dbraw/zinc/02/64/07/795026407.db2.gz MVHQIPPQHAQEOG-QSLRECBCSA-N 1 0 288.347 1.464 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925403071 795151617 /nfs/dbraw/zinc/15/16/17/795151617.db2.gz JYWQZBOOOJYJRL-GFCCVEGCSA-N 1 0 263.341 1.238 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000776520472 795170787 /nfs/dbraw/zinc/17/07/87/795170787.db2.gz MFITZUPALHDPPL-INIZCTEOSA-N 1 0 295.379 1.883 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1 ZINC000271181659 795197446 /nfs/dbraw/zinc/19/74/46/795197446.db2.gz LFOFHJNQJAXYQO-UHFFFAOYSA-N 1 0 274.364 1.803 20 10 CDCDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000785829738 795198045 /nfs/dbraw/zinc/19/80/45/795198045.db2.gz AGETWKXHCVHKEU-MRXNPFEDSA-N 1 0 280.412 1.970 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c(O)c1 ZINC000814173979 795256053 /nfs/dbraw/zinc/25/60/53/795256053.db2.gz UVMDMCJMLCOTTG-SWLSCSKDSA-N 1 0 276.380 1.927 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000841656063 795275756 /nfs/dbraw/zinc/27/57/56/795275756.db2.gz VFJPYSKWQXGZPG-ZIAGYGMSSA-N 1 0 290.411 1.822 20 10 CDCDRO C[C@@H]([NH2+]CC1(O)CCOCC1)c1ccccc1O ZINC000162315094 795353322 /nfs/dbraw/zinc/35/33/22/795353322.db2.gz AQUSHMXLSGQEQH-LLVKDONJSA-N 1 0 251.326 1.584 20 10 CDCDRO Oc1cccc(Cl)c1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000083552480 795375962 /nfs/dbraw/zinc/37/59/62/795375962.db2.gz QFTJDBXOORTOFQ-VXGBXAGGSA-N 1 0 296.798 1.998 20 10 CDCDRO COC1(CO)CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000775205538 795489860 /nfs/dbraw/zinc/48/98/60/795489860.db2.gz ZNRGSHWKUMPICY-UHFFFAOYSA-N 1 0 279.380 1.982 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000828668231 795556654 /nfs/dbraw/zinc/55/66/54/795556654.db2.gz ZTAZXXOOFVZYJK-ZANVPECISA-N 1 0 278.352 1.705 20 10 CDCDRO COc1ccc(CNC(=O)C[N@H+](C)C(C)C)c(O)c1 ZINC000794371191 795582914 /nfs/dbraw/zinc/58/29/14/795582914.db2.gz YFHQJBGSVRSCGI-UHFFFAOYSA-N 1 0 266.341 1.357 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835071943 795593052 /nfs/dbraw/zinc/59/30/52/795593052.db2.gz AGLJCRDYRVIQOQ-ZIAGYGMSSA-N 1 0 274.364 1.944 20 10 CDCDRO C[C@H]1CN(CC[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000834567216 795704768 /nfs/dbraw/zinc/70/47/68/795704768.db2.gz ZTCFWUZVSKIQEC-GXTWGEPZSA-N 1 0 276.380 1.690 20 10 CDCDRO O=C(NCCCSc1nccs1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843439200 795737938 /nfs/dbraw/zinc/73/79/38/795737938.db2.gz CKRBYWXVCVUUJL-BBBLOLIVSA-N 1 0 283.422 1.492 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCN2C)c1O ZINC000712541918 795773570 /nfs/dbraw/zinc/77/35/70/795773570.db2.gz GVPLJCDYNNPOLS-LLVKDONJSA-N 1 0 270.760 1.848 20 10 CDCDRO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1ccccc1O ZINC000135719706 795822154 /nfs/dbraw/zinc/82/21/54/795822154.db2.gz KICODQMQMGOUGQ-GFCCVEGCSA-N 1 0 278.352 1.292 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2cc(OC)ccc2O)CC1=O ZINC000391564272 795827453 /nfs/dbraw/zinc/82/74/53/795827453.db2.gz YOQPSQYZSQQAFX-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO [NH3+]CCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000829003563 795832734 /nfs/dbraw/zinc/83/27/34/795832734.db2.gz PIBWXWRQOCYQFA-AWEZNQCLSA-N 1 0 292.379 1.639 20 10 CDCDRO C[C@H](CCO)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844445312 795877398 /nfs/dbraw/zinc/87/73/98/795877398.db2.gz BCPUMACQLHIQLK-CYBMUJFWSA-N 1 0 293.411 1.072 20 10 CDCDRO COc1cccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c1O ZINC000841924302 795879340 /nfs/dbraw/zinc/87/93/40/795879340.db2.gz WQQRDNOKYQPURL-NSHDSACASA-N 1 0 293.367 1.200 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000844173383 795895289 /nfs/dbraw/zinc/89/52/89/795895289.db2.gz XXUPWUIAQIKAJI-BMFZPTHFSA-N 1 0 285.391 1.653 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(CS(C)(=O)=O)CC2)c1O ZINC000848897382 796051002 /nfs/dbraw/zinc/05/10/02/796051002.db2.gz HVQFPIUQSDWXGW-UHFFFAOYSA-N 1 0 297.420 1.869 20 10 CDCDRO C[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCC(=O)N1 ZINC000835061727 796062493 /nfs/dbraw/zinc/06/24/93/796062493.db2.gz VKWDMXGUOXSUFB-ZDUSSCGKSA-N 1 0 252.289 1.290 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000866418888 796322899 /nfs/dbraw/zinc/32/28/99/796322899.db2.gz XLONPFJBMSXHSQ-HONMWMINSA-N 1 0 250.342 1.163 20 10 CDCDRO [NH3+][C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000818208481 796405423 /nfs/dbraw/zinc/40/54/23/796405423.db2.gz ISNMWWWSYMWJHT-MELADBBJSA-N 1 0 290.363 1.247 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c(O)c1 ZINC000817412935 796415446 /nfs/dbraw/zinc/41/54/46/796415446.db2.gz RHBVATJYKWTWIJ-AWEZNQCLSA-N 1 0 295.379 1.763 20 10 CDCDRO Oc1ccc(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)c(O)c1 ZINC001173741326 912772355 /nfs/dbraw/zinc/77/23/55/912772355.db2.gz WLQFBCKWHZXANJ-VXGBXAGGSA-N 1 0 289.339 1.358 20 10 CDCDRO COc1cc(CN2CCC[C@H]([NH3+])CC2)cc(O)c1O ZINC001205095027 913391751 /nfs/dbraw/zinc/39/17/51/913391751.db2.gz SWOZUGUURNOYCY-NSHDSACASA-N 1 0 266.341 1.420 20 10 CDCDRO O=C1NC2(CO1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141161741 899837374 /nfs/dbraw/zinc/83/73/74/899837374.db2.gz WMIMDEQXLFKMRN-UHFFFAOYSA-N 1 0 278.308 1.172 20 10 CDCDRO Cc1cc(Br)cc(CN2CC(C)([NH3+])C2)c1O ZINC001204985289 905695265 /nfs/dbraw/zinc/69/52/65/905695265.db2.gz GETHSZKCOUTSBS-UHFFFAOYSA-N 1 0 285.185 1.996 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263206 912070659 /nfs/dbraw/zinc/07/06/59/912070659.db2.gz JYFCTPDUQQVFTC-JTQLQIEISA-N 1 0 284.743 1.462 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCCN(C(C)=O)CC2)c(O)c1 ZINC001180462306 916393927 /nfs/dbraw/zinc/39/39/27/916393927.db2.gz IBSZOPAYMNOETM-UHFFFAOYSA-N 1 0 292.379 1.763 20 10 CDCDRO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1 ZINC001204277328 916570898 /nfs/dbraw/zinc/57/08/98/916570898.db2.gz ZMPKXOREMKVUST-VXGBXAGGSA-N 1 0 255.289 1.393 20 10 CDCDRO Cc1c(CN2CCO[C@H](C(N)=O)C2)c2ccccc2n1C ZINC001138258076 936503241 /nfs/dbraw/zinc/50/32/41/936503241.db2.gz KNXTUKFTZJZTQV-HNNXBMFYSA-N 1 0 287.363 1.173 20 10 CDCDRO COc1cc(CN2CCC[C@@](C)([NH3+])CC2)cc(O)c1O ZINC001205263821 918431861 /nfs/dbraw/zinc/43/18/61/918431861.db2.gz CNLIQVOZYVEKAL-OAHLLOKOSA-N 1 0 280.368 1.810 20 10 CDCDRO COc1cc(CN2CC(C)(OC)C2)cc(C[NH+](C)C)c1O ZINC001139253592 936611991 /nfs/dbraw/zinc/61/19/91/936611991.db2.gz ZRTRBNXIBOLZPQ-UHFFFAOYSA-N 1 0 294.395 1.683 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@@H](F)C3)cc2)CC1 ZINC001139409002 936618089 /nfs/dbraw/zinc/61/80/89/936618089.db2.gz RSRXCQUFCWVPHH-IYBDPMFKSA-N 1 0 295.377 1.930 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1O ZINC001140178667 936684289 /nfs/dbraw/zinc/68/42/89/936684289.db2.gz TXRRMCVIOYIRPZ-JSGCOSHPSA-N 1 0 265.353 1.184 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC001140742381 936748329 /nfs/dbraw/zinc/74/83/29/936748329.db2.gz MGFNHSMIKPUYAK-LLVKDONJSA-N 1 0 264.325 1.104 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c1O ZINC001140747602 936749711 /nfs/dbraw/zinc/74/97/11/936749711.db2.gz FAMKGELKECOAES-BXKDBHETSA-N 1 0 251.326 1.751 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(O)c(C)c2O)CCCO1 ZINC001140749955 936750227 /nfs/dbraw/zinc/75/02/27/936750227.db2.gz PIGDSTJWZJZBOO-ZDUSSCGKSA-N 1 0 295.335 1.170 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141030530 936794972 /nfs/dbraw/zinc/79/49/72/936794972.db2.gz AJXAZXQIZBNYER-NSHDSACASA-N 1 0 281.352 1.878 20 10 CDCDRO CC[N@H+](CCC(N)=O)Cc1c(O)cc(OC)cc1OC ZINC001141028239 936794225 /nfs/dbraw/zinc/79/42/25/936794225.db2.gz HDFPJXGCBPBORL-UHFFFAOYSA-N 1 0 282.340 1.107 20 10 CDCDRO CN(Cc1ccc2c(c1)OCCN2C)[C@@H]1CC[N@H+](C)C1 ZINC001141143656 936819362 /nfs/dbraw/zinc/81/93/62/936819362.db2.gz FERYCKGEQXLDHJ-CQSZACIVSA-N 1 0 275.396 1.651 20 10 CDCDRO OC[C@@H]1C[C@H]2OCCN(Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001141156025 936821670 /nfs/dbraw/zinc/82/16/70/936821670.db2.gz CYVNDZHRTFATPW-PSOPSSQASA-N 1 0 279.336 1.070 20 10 CDCDRO COC(=O)CC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141158103 936822285 /nfs/dbraw/zinc/82/22/85/936822285.db2.gz UAVSHAGKGQGLTI-UHFFFAOYSA-N 1 0 279.336 1.873 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC001141161493 936822833 /nfs/dbraw/zinc/82/28/33/936822833.db2.gz FSMDWEXHGQFASZ-LBPRGKRZSA-N 1 0 274.324 1.526 20 10 CDCDRO Cc1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)ccc1N(C)C ZINC000839648596 936917940 /nfs/dbraw/zinc/91/79/40/936917940.db2.gz CRICSSLPDIFHFC-HOTGVXAUSA-N 1 0 292.423 1.938 20 10 CDCDRO COC(=O)c1cc(N2CC[C@H]([NH3+])C2)ccc1OC(F)F ZINC001164281419 924748771 /nfs/dbraw/zinc/74/87/71/924748771.db2.gz BSBANPONVYDBAA-QMMMGPOBSA-N 1 0 286.278 1.612 20 10 CDCDRO [NH3+]Cc1ccc2c(n1)N(C(=O)C=Cc1c[nH]cn1)CCC2 ZINC001142276396 936998810 /nfs/dbraw/zinc/99/88/10/936998810.db2.gz PEPOFJRMTVRTJH-AATRIKPKSA-N 1 0 283.335 1.256 20 10 CDCDRO C[N@H+]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@H]2C1 ZINC001142526947 937027820 /nfs/dbraw/zinc/02/78/20/937027820.db2.gz CQFKHTGKOCVWPA-PHIMTYICSA-N 1 0 268.307 1.664 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000776253516 926484431 /nfs/dbraw/zinc/48/44/31/926484431.db2.gz XDZLQDFDIMFEHI-STQMWFEESA-N 1 0 262.353 1.705 20 10 CDCDRO CCNC(=O)C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850009907 927354842 /nfs/dbraw/zinc/35/48/42/927354842.db2.gz SYDHNWNEDYVMSZ-UHFFFAOYSA-N 1 0 294.395 1.924 20 10 CDCDRO CC[NH+]1CCC([NH2+]CCc2cc(O)c(O)cc2O)CC1 ZINC001169224750 927823483 /nfs/dbraw/zinc/82/34/83/927823483.db2.gz ONOBGEJWPWPHNW-UHFFFAOYSA-N 1 0 280.368 1.420 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CC(=O)N(CC)C2)c1O ZINC000691444356 928638278 /nfs/dbraw/zinc/63/82/78/928638278.db2.gz IKYZJFWCDDUEGR-ZDUSSCGKSA-N 1 0 262.353 1.665 20 10 CDCDRO CN(c1ccc2c(c1)CC(=O)NC2(C)C)C(C)(C)C[NH3+] ZINC001170060437 929253682 /nfs/dbraw/zinc/25/36/82/929253682.db2.gz QCSCLQSEKHHPSO-UHFFFAOYSA-N 1 0 275.396 1.768 20 10 CDCDRO NC(=O)N=Nc1ccc(C(=O)NCC[NH2+]CCCF)cc1 ZINC001153047470 937414774 /nfs/dbraw/zinc/41/47/74/937414774.db2.gz FOKAJVRPGSBXHE-UHFFFAOYSA-N 1 0 295.318 1.528 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000843434073 931449789 /nfs/dbraw/zinc/44/97/89/931449789.db2.gz HILLEPDRPNYLKJ-JQWIXIFHSA-N 1 0 299.754 1.401 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]12 ZINC001144520410 931871424 /nfs/dbraw/zinc/87/14/24/931871424.db2.gz PZMNEZFGMPWMOB-KOLCDFICSA-N 1 0 277.320 1.604 20 10 CDCDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144515201 931879062 /nfs/dbraw/zinc/87/90/62/931879062.db2.gz HUOUEPYJFAGBFZ-MSRIBSCDSA-N 1 0 293.319 1.044 20 10 CDCDRO CCN(Cc1ccccc1O)c1ncc2c(n1)C[NH2+]C2 ZINC001154889205 937600372 /nfs/dbraw/zinc/60/03/72/937600372.db2.gz TZWZKCXFTSEEMR-UHFFFAOYSA-N 1 0 270.336 1.812 20 10 CDCDRO C[C@@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)CC[NH2+]1 ZINC000235419981 932725751 /nfs/dbraw/zinc/72/57/51/932725751.db2.gz VLWVRQFGLCWYIK-VXGBXAGGSA-N 1 0 262.353 1.739 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCCC(C)(C)[NH3+])cc1 ZINC001119405992 937717403 /nfs/dbraw/zinc/71/74/03/937717403.db2.gz ZWCQJHXXSZFYRC-UHFFFAOYSA-N 1 0 278.400 1.679 20 10 CDCDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(N)cc1 ZINC001122445433 937932410 /nfs/dbraw/zinc/93/24/10/937932410.db2.gz RWFIWICJWJJCSG-ZDUSSCGKSA-N 1 0 263.385 1.909 20 10 CDCDRO [NH3+]C[C@@]1(F)CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001157765348 938543062 /nfs/dbraw/zinc/54/30/62/938543062.db2.gz REUFPGWIIFMKMJ-CQSZACIVSA-N 1 0 298.314 1.097 20 10 CDCDRO O=C([C@@H]1CCCC[NH2+]1)N1CCc2cccc(O)c2C1 ZINC001160872141 938835262 /nfs/dbraw/zinc/83/52/62/938835262.db2.gz HZDWNPWOQRNOIA-ZDUSSCGKSA-N 1 0 260.337 1.419 20 10 CDCDRO NC(=O)C12CC([NH2+]Cc3cc(F)ccc3O)(C1)C2 ZINC001278255752 945217852 /nfs/dbraw/zinc/21/78/52/945217852.db2.gz XTMJFHAIEFTDQV-UHFFFAOYSA-N 1 0 250.273 1.029 20 10 CDCDRO Cc1cc(N(CC[NH3+])CCO)ccc1OC(F)(F)F ZINC001163836769 939339838 /nfs/dbraw/zinc/33/98/38/939339838.db2.gz JKVXRJDVBQASOQ-UHFFFAOYSA-N 1 0 278.274 1.651 20 10 CDCDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC001203556349 939693282 /nfs/dbraw/zinc/69/32/82/939693282.db2.gz NHLNGCVWXMLURJ-CYBMUJFWSA-N 1 0 262.353 1.692 20 10 CDCDRO COc1cccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)c1O ZINC001203599178 939695589 /nfs/dbraw/zinc/69/55/89/939695589.db2.gz BPGZBVJTSVMCSF-JSGCOSHPSA-N 1 0 276.380 1.927 20 10 CDCDRO COc1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c(O)c1 ZINC001203621564 939697296 /nfs/dbraw/zinc/69/72/96/939697296.db2.gz XLSZJOYCKKRPQZ-GFCCVEGCSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1ccc(CN2CC([NH+]3CCCC3)C2)c(O)c1 ZINC001203627448 939697711 /nfs/dbraw/zinc/69/77/11/939697711.db2.gz FCWGKNQAAWQVNH-UHFFFAOYSA-N 1 0 262.353 1.681 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203875559 939710559 /nfs/dbraw/zinc/71/05/59/939710559.db2.gz PWRAVNGETOHHNO-AWEZNQCLSA-N 1 0 251.326 1.835 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(O)c(O)c1 ZINC001203881914 939711283 /nfs/dbraw/zinc/71/12/83/939711283.db2.gz XZWKHDRQYSOENB-UHFFFAOYSA-N 1 0 253.298 1.483 20 10 CDCDRO Oc1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1O ZINC001203882028 939711449 /nfs/dbraw/zinc/71/14/49/939711449.db2.gz ZSPZXHZMXBNJJB-LBPRGKRZSA-N 1 0 274.324 1.526 20 10 CDCDRO Oc1ccc(C[NH+]2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC001204272276 939749833 /nfs/dbraw/zinc/74/98/33/939749833.db2.gz LUKYJEPGNVNEMR-CYBMUJFWSA-N 1 0 278.352 1.004 20 10 CDCDRO [NH3+]CC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001205047548 939818105 /nfs/dbraw/zinc/81/81/05/939818105.db2.gz YYQHKNTWSBZWIM-UHFFFAOYSA-N 1 0 256.296 1.841 20 10 CDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc2c(c1)OCCN2C ZINC001205190925 939833545 /nfs/dbraw/zinc/83/35/45/939833545.db2.gz SIBBRVYTQSKRQB-DGCLKSJQSA-N 1 0 261.369 1.437 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2ccc(O)c(O)c2)CCC1(F)F ZINC001205761196 939933620 /nfs/dbraw/zinc/93/36/20/939933620.db2.gz GJSLWAUPAQDTLM-SNVBAGLBSA-N 1 0 272.295 1.514 20 10 CDCDRO Oc1cccc2c1C[N@H+](CCCC1OCCO1)CC2 ZINC001209310494 940459120 /nfs/dbraw/zinc/45/91/20/940459120.db2.gz OUXCFEXFGIKYFM-UHFFFAOYSA-N 1 0 263.337 1.903 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000400170747 940844025 /nfs/dbraw/zinc/84/40/25/940844025.db2.gz KPAYRHARRNQMMV-DGCLKSJQSA-N 1 0 298.408 1.467 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC2=O)c1 ZINC000405369315 940985344 /nfs/dbraw/zinc/98/53/44/940985344.db2.gz NVIYJEALNKIXDM-LLVKDONJSA-N 1 0 278.352 1.674 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]3C(N)=O)CC2)cc1 ZINC001276957982 941730475 /nfs/dbraw/zinc/73/04/75/941730475.db2.gz AUROIMHADWEKOO-OAHLLOKOSA-N 1 0 287.407 1.840 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3C[C@]32C(=O)N(C)C)c1 ZINC001277462213 942671488 /nfs/dbraw/zinc/67/14/88/942671488.db2.gz KUUKKVASXOORDU-BLLLJJGKSA-N 1 0 290.363 1.453 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@](C)(O)C2)c(O)cc1O ZINC001231633388 942949047 /nfs/dbraw/zinc/94/90/47/942949047.db2.gz NMZRSWGPSHSFBM-ZDUSSCGKSA-N 1 0 253.298 1.063 20 10 CDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231634106 942949565 /nfs/dbraw/zinc/94/95/65/942949565.db2.gz IEMHZTGAODXZOP-SECBINFHSA-N 1 0 281.308 1.101 20 10 CDCDRO COc1cc(C[NH+]2CC([C@H](C)OC)C2)c(O)cc1O ZINC001231638432 942951770 /nfs/dbraw/zinc/95/17/70/942951770.db2.gz BBQOJVSRYIJFLG-VIFPVBQESA-N 1 0 267.325 1.573 20 10 CDCDRO Cc1cc(C)c(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c(O)c1 ZINC001231846216 943025866 /nfs/dbraw/zinc/02/58/66/943025866.db2.gz ICVBYCMCJMJDEJ-ZDUSSCGKSA-N 1 0 274.364 1.816 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001231841957 943026300 /nfs/dbraw/zinc/02/63/00/943026300.db2.gz IJIFLIXMWXJIFU-GXTWGEPZSA-N 1 0 253.317 1.914 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC001231854083 943032140 /nfs/dbraw/zinc/03/21/40/943032140.db2.gz YPTUAMARGXOYLE-GFCCVEGCSA-N 1 0 277.368 1.068 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)cc1Cl ZINC001231870182 943037089 /nfs/dbraw/zinc/03/70/89/943037089.db2.gz MPGIRWTVAFCHKK-CMPLNLGQSA-N 1 0 294.782 1.922 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC001231879228 943039458 /nfs/dbraw/zinc/03/94/58/943039458.db2.gz ATPFBSZJXPRHOR-UKRRQHHQSA-N 1 0 273.332 1.330 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001232265372 943194759 /nfs/dbraw/zinc/19/47/59/943194759.db2.gz UVEZOWCQYKYHHO-UHFFFAOYSA-N 1 0 286.759 1.622 20 10 CDCDRO C[N@@H+](Cc1cc(O)c(O)c(O)c1)CC1CCOCC1 ZINC001233010650 943460651 /nfs/dbraw/zinc/46/06/51/943460651.db2.gz SKJZTUUREJJRTC-UHFFFAOYSA-N 1 0 267.325 1.662 20 10 CDCDRO Oc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc(O)c1O ZINC001233011051 943461370 /nfs/dbraw/zinc/46/13/70/943461370.db2.gz YHQJJLULMJACIQ-SMDDNHRTSA-N 1 0 279.336 1.804 20 10 CDCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233012018 943462210 /nfs/dbraw/zinc/46/22/10/943462210.db2.gz HIXAHPSHKHUINN-NSHDSACASA-N 1 0 294.351 1.104 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233017735 943465889 /nfs/dbraw/zinc/46/58/89/943465889.db2.gz ZTDZFBGBVAEUSQ-GXSJLCMTSA-N 1 0 295.335 1.434 20 10 CDCDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]12 ZINC001233017634 943466312 /nfs/dbraw/zinc/46/63/12/943466312.db2.gz IWGMNJCQDFBURR-GHMZBOCLSA-N 1 0 277.320 1.604 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC001233286532 943532120 /nfs/dbraw/zinc/53/21/20/943532120.db2.gz XVSKKHFYRSAYJC-LLVKDONJSA-N 1 0 276.380 1.997 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC001233284242 943532398 /nfs/dbraw/zinc/53/23/98/943532398.db2.gz NGFVNFXJNLCQFQ-AWEZNQCLSA-N 1 0 279.380 1.883 20 10 CDCDRO C[NH+](C)C[C@@H]1COCCN1Cc1c(O)ccc(F)c1F ZINC001233335646 943548570 /nfs/dbraw/zinc/54/85/70/943548570.db2.gz FIOCUDOKKAOMFT-SNVBAGLBSA-N 1 0 286.322 1.433 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1O ZINC001233482772 943591125 /nfs/dbraw/zinc/59/11/25/943591125.db2.gz BLLBUZSCGYUSJZ-ZUZCIYMTSA-N 1 0 279.336 1.804 20 10 CDCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233485927 943594155 /nfs/dbraw/zinc/59/41/55/943594155.db2.gz QLWFPBSRNSYAFN-PSASIEDQSA-N 1 0 253.298 1.149 20 10 CDCDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233486752 943595956 /nfs/dbraw/zinc/59/59/56/943595956.db2.gz ABDSMVZREXODFA-LBPRGKRZSA-N 1 0 278.352 1.472 20 10 CDCDRO C[C@H](C[NH+](C)C)Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001233950415 943699263 /nfs/dbraw/zinc/69/92/63/943699263.db2.gz WQNZRRXXZCOUEU-MRVPVSSYSA-N 1 0 263.297 1.370 20 10 CDCDRO Oc1cccc(Cl)c1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234986623 943996637 /nfs/dbraw/zinc/99/66/37/943996637.db2.gz KTSKHZSEZKDHDQ-AWEZNQCLSA-N 1 0 281.787 1.183 20 10 CDCDRO C[N@@H+](Cc1cccc(-c2ccccc2)c1O)C[C@H](O)CO ZINC001235003707 944004808 /nfs/dbraw/zinc/00/48/08/944004808.db2.gz XDTIWOAXZHEOFS-HNNXBMFYSA-N 1 0 287.359 1.844 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235044482 944020901 /nfs/dbraw/zinc/02/09/01/944020901.db2.gz LNNCFTRKLGGNAF-NWDGAFQWSA-N 1 0 254.280 1.607 20 10 CDCDRO Oc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1Cl ZINC001235045918 944022928 /nfs/dbraw/zinc/02/29/28/944022928.db2.gz XLQJVPCDKAGWBA-WDEREUQCSA-N 1 0 268.744 1.687 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[NH2+]C(C)(C)C1 ZINC001235834251 944291627 /nfs/dbraw/zinc/29/16/27/944291627.db2.gz MFFSKXPUMFSNCY-UHFFFAOYSA-N 1 0 277.412 1.945 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001236024794 944380900 /nfs/dbraw/zinc/38/09/00/944380900.db2.gz JIIVECYZKZUHJR-PRHODGIISA-N 1 0 288.269 1.824 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236291670 944450245 /nfs/dbraw/zinc/45/02/45/944450245.db2.gz OEYFUWZBXNHHRR-JSGCOSHPSA-N 1 0 261.369 1.165 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001236809209 944576024 /nfs/dbraw/zinc/57/60/24/944576024.db2.gz USRWELSJDRZIQT-JQWIXIFHSA-N 1 0 265.353 1.912 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c(O)c1 ZINC001237049835 944647723 /nfs/dbraw/zinc/64/77/23/944647723.db2.gz LSWLRMNHOOJQNU-INIZCTEOSA-N 1 0 290.363 1.503 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001237484315 944811981 /nfs/dbraw/zinc/81/19/81/944811981.db2.gz BHPBCZDJYOLVBQ-IVMMDQJWSA-N 1 0 277.364 1.672 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(O)c(OC)c1 ZINC001237671639 944917248 /nfs/dbraw/zinc/91/72/48/944917248.db2.gz DCPKOVFEMHTYBJ-JOYOIKCWSA-N 1 0 267.325 1.222 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c(OC)c1 ZINC001237675027 944920589 /nfs/dbraw/zinc/92/05/89/944920589.db2.gz QHGSEINCKZLIFR-SNVBAGLBSA-N 1 0 294.351 1.107 20 10 CDCDRO COC1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001255441857 947897253 /nfs/dbraw/zinc/89/72/53/947897253.db2.gz CLSQIKBSQAHFEU-QOZQQMKHSA-N 1 0 281.352 1.678 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1 ZINC001246201551 948024772 /nfs/dbraw/zinc/02/47/72/948024772.db2.gz VNUGAPHEWWMGFA-KBPBESRZSA-N 1 0 290.363 1.005 20 10 CDCDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001256015568 948158223 /nfs/dbraw/zinc/15/82/23/948158223.db2.gz BGZFXGIZPZNJDP-NSHDSACASA-N 1 0 280.324 1.418 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001257035550 948491163 /nfs/dbraw/zinc/49/11/63/948491163.db2.gz CLVJLVIWRIFJLA-OLZOCXBDSA-N 1 0 293.363 1.962 20 10 CDCDRO C[C@H]1CC([NH2+]CC(=O)c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001257081346 948522227 /nfs/dbraw/zinc/52/22/27/948522227.db2.gz OSLWZQYPXDIUGV-UWVGGRQHSA-N 1 0 279.336 1.826 20 10 CDCDRO Cn1c(=O)cccc1C[N@H+](C)Cc1ccccc1O ZINC001248808625 949175765 /nfs/dbraw/zinc/17/57/65/949175765.db2.gz NGOKZCTVXAGDQT-UHFFFAOYSA-N 1 0 258.321 1.723 20 10 CDCDRO CCOC(=O)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001253808269 952130307 /nfs/dbraw/zinc/13/03/07/952130307.db2.gz VSOLINSTKGBJEU-ZDUSSCGKSA-N 1 0 279.336 1.025 20 10 CDCDRO Cc1cc(C[N@H+](C)CCNS(C)(=O)=O)ccc1N(C)C ZINC001324487268 953413051 /nfs/dbraw/zinc/41/30/51/953413051.db2.gz FLYNEEDKHFZSKL-UHFFFAOYSA-N 1 0 299.440 1.042 20 10 CDCDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cc(C)c(C)cc1O ZINC001326990133 954651121 /nfs/dbraw/zinc/65/11/21/954651121.db2.gz DDZMUIOPHXYEEB-CQSZACIVSA-N 1 0 292.379 1.346 20 10 CDCDRO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2CO)c(O)c1 ZINC001308766535 956578587 /nfs/dbraw/zinc/57/85/87/956578587.db2.gz NZRRRBQJQUQDDB-BXUZGUMPSA-N 1 0 265.353 1.960 20 10 CDCDRO CN1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001320217324 959013564 /nfs/dbraw/zinc/01/35/64/959013564.db2.gz DMBRVZXUWARSMB-QGZVFWFLSA-N 1 0 289.423 1.443 20 10 CDCDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001334951716 959483717 /nfs/dbraw/zinc/48/37/17/959483717.db2.gz LKQAISYONXWKSS-ZYHUDNBSSA-N 1 0 283.368 1.906 20 10 CDCDRO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001336974939 960799555 /nfs/dbraw/zinc/79/95/55/960799555.db2.gz FOWHUGULRXNTHN-JTQLQIEISA-N 1 0 250.346 1.195 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001338793464 961998892 /nfs/dbraw/zinc/99/88/92/961998892.db2.gz PVKDVEDMKHJSTL-UHFFFAOYSA-N 1 0 289.379 1.804 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001346739314 965234485 /nfs/dbraw/zinc/23/44/85/965234485.db2.gz PQXXQNJLEUKQEG-CYBMUJFWSA-N 1 0 276.384 1.362 20 10 CDCDRO C[C@H]([NH2+]CCCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC001348852371 966206349 /nfs/dbraw/zinc/20/63/49/966206349.db2.gz LCSDJKWFYOLGRJ-VIFPVBQESA-N 1 0 253.302 1.690 20 10 CDCDRO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)CC1 ZINC001352788091 967481127 /nfs/dbraw/zinc/48/11/27/967481127.db2.gz BMSNHISQZPAKGD-CQSZACIVSA-N 1 0 282.409 1.668 20 10 CDCDRO [NH2+]=C(NCCCSc1nccs1)N1CCC1 ZINC000849008843 969400155 /nfs/dbraw/zinc/40/01/55/969400155.db2.gz VNSXWMRZDVBIPI-UHFFFAOYSA-N 1 0 256.400 1.855 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1O ZINC000775716800 970101043 /nfs/dbraw/zinc/10/10/43/970101043.db2.gz GSAFPHGYRCYYAI-KGLIPLIRSA-N 1 0 262.353 1.215 20 10 CDCDRO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@H]1C[NH3+] ZINC001578489929 1171935327 /nfs/dbraw/zinc/93/53/27/1171935327.db2.gz WUFRSSXOOSHPBF-HOCLYGCPSA-N 1 0 287.407 1.840 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[NH2+]C1CC1 ZINC000154677118 342163883 /nfs/dbraw/zinc/16/38/83/342163883.db2.gz WOQPJUIKMWCEBK-UHFFFAOYSA-N 1 0 275.352 1.230 20 10 CDCDRO COCCOC1(C[NH2+]Cc2ccc(N)cc2)CCOCC1 ZINC001579057358 1172086754 /nfs/dbraw/zinc/08/67/54/1172086754.db2.gz YWLOKOPOPNXEKY-UHFFFAOYSA-N 1 0 294.395 1.571 20 10 CDCDRO CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801152 356537081 /nfs/dbraw/zinc/53/70/81/356537081.db2.gz GRALFOZJMNNENB-CQSZACIVSA-N 1 0 263.385 1.694 20 10 CDCDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2 ZINC000069922840 356832269 /nfs/dbraw/zinc/83/22/69/356832269.db2.gz ZRCRSEZERFSNMI-CQSZACIVSA-N 1 0 284.363 1.626 20 10 CDCDRO COC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000188678516 357925891 /nfs/dbraw/zinc/92/58/91/357925891.db2.gz LYQGTFLPJVLOQU-UHFFFAOYSA-N 1 0 261.321 1.664 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)cc1 ZINC000188521626 357907061 /nfs/dbraw/zinc/90/70/61/357907061.db2.gz KCXKRXAUQCQBSA-ZDUSSCGKSA-N 1 0 263.385 1.742 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N(C)CC)c1 ZINC000188894676 357949937 /nfs/dbraw/zinc/94/99/37/357949937.db2.gz WKHVKLBDTZVTRN-NSHDSACASA-N 1 0 280.368 1.747 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000230663253 360336356 /nfs/dbraw/zinc/33/63/56/360336356.db2.gz YYMAIIZEZUQQON-NEPJUHHUSA-N 1 0 253.342 1.749 20 10 CDCDRO COCC[NH+]1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293546626 370681613 /nfs/dbraw/zinc/68/16/13/370681613.db2.gz QUCDUEOQZPYIND-UHFFFAOYSA-N 1 0 291.439 1.825 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1O ZINC000271238502 364978007 /nfs/dbraw/zinc/97/80/07/364978007.db2.gz BQEXJORRLDADAF-BXKDBHETSA-N 1 0 265.309 1.324 20 10 CDCDRO CCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2O)cn1 ZINC000271850056 365000577 /nfs/dbraw/zinc/00/05/77/365000577.db2.gz SSLCVGPBYMXLSB-UHFFFAOYSA-N 1 0 291.351 1.916 20 10 CDCDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000273371041 365489783 /nfs/dbraw/zinc/48/97/83/365489783.db2.gz CKMOZWBKFUUMPA-DGCLKSJQSA-N 1 0 282.359 1.903 20 10 CDCDRO COc1ccc(N2CCC([NH2+]CCO)CC2)cc1 ZINC000305073380 370843449 /nfs/dbraw/zinc/84/34/49/370843449.db2.gz MMGCRRPUZCNMRD-UHFFFAOYSA-N 1 0 250.342 1.246 20 10 CDCDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000281541352 367652117 /nfs/dbraw/zinc/65/21/17/367652117.db2.gz BFXJCOBIDQSOJR-BBRMVZONSA-N 1 0 278.396 1.945 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC(=O)NC23CCC3)c1 ZINC000282969297 368127358 /nfs/dbraw/zinc/12/73/58/368127358.db2.gz INATZLKAVGKRFX-AWEZNQCLSA-N 1 0 290.363 1.692 20 10 CDCDRO C[NH2+]CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000285715339 368654156 /nfs/dbraw/zinc/65/41/56/368654156.db2.gz DQFGSQCMSVKTFM-UHFFFAOYSA-N 1 0 261.369 1.513 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000295217171 371154911 /nfs/dbraw/zinc/15/49/11/371154911.db2.gz XVSUYAINPCNVCD-LDYMZIIASA-N 1 0 294.326 1.449 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273579557 371168684 /nfs/dbraw/zinc/16/86/84/371168684.db2.gz MIIBRMUUGMCVBX-ZJUUUORDSA-N 1 0 264.325 1.282 20 10 CDCDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296189302 371413023 /nfs/dbraw/zinc/41/30/23/371413023.db2.gz YKZMHUYHMBHEFV-DGCLKSJQSA-N 1 0 274.364 1.980 20 10 CDCDRO C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)[N@H+]1C ZINC000294100721 378627514 /nfs/dbraw/zinc/62/75/14/378627514.db2.gz YHIWBNZGFJAHAY-MNHHLFBFSA-N 1 0 290.363 1.662 20 10 CDCDRO O[C@@H]1COCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000294887961 378654868 /nfs/dbraw/zinc/65/48/68/378654868.db2.gz WGSSGXMNWJVORO-KRWDZBQOSA-N 1 0 290.407 1.870 20 10 CDCDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccccc1O ZINC000296540038 378737333 /nfs/dbraw/zinc/73/73/33/378737333.db2.gz QWZBSWOEURSSRN-GHMZBOCLSA-N 1 0 286.397 1.371 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COC1CCOCC1 ZINC000120766097 390875836 /nfs/dbraw/zinc/87/58/36/390875836.db2.gz JUETXFZFYHBGMJ-CQSZACIVSA-N 1 0 295.379 1.381 20 10 CDCDRO COc1cccc(CN(CCS(C)(=O)=O)C2CC2)c1O ZINC000093816554 390904751 /nfs/dbraw/zinc/90/47/51/390904751.db2.gz OZPIMRQHSAHBNM-UHFFFAOYSA-N 1 0 299.392 1.410 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000373738391 391130294 /nfs/dbraw/zinc/13/02/94/391130294.db2.gz OUOLCIRVARQHHR-UBHSHLNASA-N 1 0 274.364 1.786 20 10 CDCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CCNC1=O ZINC000281833644 391408510 /nfs/dbraw/zinc/40/85/10/391408510.db2.gz SHASPZRFYNNITD-LLVKDONJSA-N 1 0 264.325 1.111 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c(O)c1 ZINC000193679887 391344104 /nfs/dbraw/zinc/34/41/04/391344104.db2.gz XIFZEAFHFHLCCD-XHDPSFHLSA-N 1 0 292.379 1.795 20 10 CDCDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1ccccc1O ZINC000281917017 391426320 /nfs/dbraw/zinc/42/63/20/391426320.db2.gz AHFYRFLAICGNTD-ZYHUDNBSSA-N 1 0 268.332 1.907 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)N(C)C)c1 ZINC000020126031 171009967 /nfs/dbraw/zinc/00/99/67/171009967.db2.gz HBIFFBOAMQYYMG-UHFFFAOYSA-N 1 0 252.358 1.831 20 10 CDCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000042560490 174795834 /nfs/dbraw/zinc/79/58/34/174795834.db2.gz ZGQRLVWUWQBCEK-BDAKNGLRSA-N 1 0 252.314 1.186 20 10 CDCDRO CC(=O)N1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000071407886 176156344 /nfs/dbraw/zinc/15/63/44/176156344.db2.gz ISSGVSLPHQQULQ-UHFFFAOYSA-N 1 0 262.353 1.801 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186202521 224722329 /nfs/dbraw/zinc/72/23/29/224722329.db2.gz HJENLGGFOLCSLP-RYUDHWBXSA-N 1 0 253.342 1.749 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccccc1O ZINC000183671755 261984233 /nfs/dbraw/zinc/98/42/33/261984233.db2.gz UWGWSHWAWWLUFN-STQMWFEESA-N 1 0 293.363 1.965 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1C ZINC000278566679 263049221 /nfs/dbraw/zinc/04/92/21/263049221.db2.gz DCMAWTIOJARLPY-WFASDCNBSA-N 1 0 265.353 1.639 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000290211476 263115488 /nfs/dbraw/zinc/11/54/88/263115488.db2.gz VEIPTNMQMYGMLH-STQMWFEESA-N 1 0 299.754 1.752 20 10 CDCDRO CC[C@H]([NH2+][C@@H](CO)CCOC)c1ccccc1O ZINC000281711814 288063994 /nfs/dbraw/zinc/06/39/94/288063994.db2.gz UAZLHSFMKHKGLD-YPMHNXCESA-N 1 0 253.342 1.830 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(O)c1O ZINC000272914741 328201635 /nfs/dbraw/zinc/20/16/35/328201635.db2.gz DNEFWWWWXSZIFO-YPMHNXCESA-N 1 0 290.363 1.572 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091542438 327102502 /nfs/dbraw/zinc/10/25/02/327102502.db2.gz MOSPQYNYDRDPSU-STQMWFEESA-N 1 0 261.369 1.496 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000179444254 329208533 /nfs/dbraw/zinc/20/85/33/329208533.db2.gz XHECXMPCNYBDRB-CYBMUJFWSA-N 1 0 292.379 1.689 20 10 CDCDRO CS(=O)(=O)CCC[NH2+]Cc1cc(F)ccc1O ZINC000226606769 329262194 /nfs/dbraw/zinc/26/21/94/329262194.db2.gz NMLFSSKTLYRYBS-UHFFFAOYSA-N 1 0 261.318 1.056 20 10 CDCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NC(C)(C)C ZINC000226586534 333265776 /nfs/dbraw/zinc/26/57/76/333265776.db2.gz WPSDGLPXTJRYMJ-SECBINFHSA-N 1 0 268.332 1.924 20 10 CDCDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037262585 519879923 /nfs/dbraw/zinc/87/99/23/519879923.db2.gz BGRXDYRKCAXXBJ-LBPRGKRZSA-N 1 0 263.385 1.929 20 10 CDCDRO CCC1(O)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000266063068 519846885 /nfs/dbraw/zinc/84/68/85/519846885.db2.gz GQVALCNTXKZHJC-UHFFFAOYSA-N 1 0 279.336 1.858 20 10 CDCDRO CCOc1cccc(C[NH2+]CC(=O)NC2CC2)c1O ZINC000036782405 521359487 /nfs/dbraw/zinc/35/94/87/521359487.db2.gz XPNKPPJTSYPPRI-UHFFFAOYSA-N 1 0 264.325 1.159 20 10 CDCDRO CCOc1cccc(C[NH2+]CCn2ccnc2)c1O ZINC000041119112 521364693 /nfs/dbraw/zinc/36/46/93/521364693.db2.gz KGPGEGPPZBDOSV-UHFFFAOYSA-N 1 0 261.325 1.777 20 10 CDCDRO CC[NH+]1CCC(N(C)C(=O)Cc2ccc(N)cc2)CC1 ZINC000036796783 521552752 /nfs/dbraw/zinc/55/27/52/521552752.db2.gz MSXJEKRZZXPNCK-UHFFFAOYSA-N 1 0 275.396 1.754 20 10 CDCDRO C[NH2+]CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000285862984 521979520 /nfs/dbraw/zinc/97/95/20/521979520.db2.gz ZEXAJAVGABUIPM-UHFFFAOYSA-N 1 0 261.369 1.295 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000367704871 522538057 /nfs/dbraw/zinc/53/80/57/522538057.db2.gz LMWCLRFIMVFFQA-SECBINFHSA-N 1 0 298.770 1.752 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1cccc(OC)c1O ZINC000120346851 524043869 /nfs/dbraw/zinc/04/38/69/524043869.db2.gz VNQGGWKPUMNGND-UHFFFAOYSA-N 1 0 266.341 1.263 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000228062031 525403456 /nfs/dbraw/zinc/40/34/56/525403456.db2.gz FTWBTJMUUANBBN-ZENOOKHLSA-N 1 0 278.396 1.943 20 10 CDCDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(O)c1O ZINC000277121567 526098280 /nfs/dbraw/zinc/09/82/80/526098280.db2.gz FPDJAEMQBCNAGD-GFCCVEGCSA-N 1 0 292.379 1.963 20 10 CDCDRO O=C(NCc1ccccc1O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731117210 575033975 /nfs/dbraw/zinc/03/39/75/575033975.db2.gz XNBQFIHNMSXDRC-AWEZNQCLSA-N 1 0 289.379 1.676 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000732284307 575086751 /nfs/dbraw/zinc/08/67/51/575086751.db2.gz ODWADEPMUYTGRQ-SNVBAGLBSA-N 1 0 266.366 1.764 20 10 CDCDRO OCCCCN1CC[NH+](Cc2ccccc2O)CC1 ZINC000770510060 575458470 /nfs/dbraw/zinc/45/84/70/575458470.db2.gz IDWJESYBRNMRPG-UHFFFAOYSA-N 1 0 264.369 1.282 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCO)C2CC2)c1O ZINC000771799480 575612382 /nfs/dbraw/zinc/61/23/82/575612382.db2.gz ANALGJGBPIFBIG-AWEZNQCLSA-N 1 0 281.327 1.985 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)c(O)c1 ZINC000769383882 576350657 /nfs/dbraw/zinc/35/06/57/576350657.db2.gz NBCWTMPLQIDWOJ-OAHLLOKOSA-N 1 0 295.379 1.764 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCNC2=O)c1O ZINC000759424589 576387875 /nfs/dbraw/zinc/38/78/75/576387875.db2.gz RFTXLIQNALGLAD-LBPRGKRZSA-N 1 0 296.754 1.569 20 10 CDCDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000763466643 576738333 /nfs/dbraw/zinc/73/83/33/576738333.db2.gz KWYDAPYLDULVFE-MRXNPFEDSA-N 1 0 291.391 1.889 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000749125905 576936369 /nfs/dbraw/zinc/93/63/69/576936369.db2.gz JHBZLXGLAPJJKU-GFCCVEGCSA-N 1 0 293.436 1.593 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756659290 576998980 /nfs/dbraw/zinc/99/89/80/576998980.db2.gz COIUSXHYBBFEKV-XKSSXDPKSA-N 1 0 266.316 1.933 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000757657724 577048882 /nfs/dbraw/zinc/04/88/82/577048882.db2.gz FSUHJXKGYHPCJV-ABAIWWIYSA-N 1 0 295.379 1.839 20 10 CDCDRO O=C1NC2(CO1)CC[NH+](Cc1ccccc1O)CC2 ZINC000753587866 577178523 /nfs/dbraw/zinc/17/85/23/577178523.db2.gz RMGSKJLGGHYEFE-UHFFFAOYSA-N 1 0 262.309 1.467 20 10 CDCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000891457172 617421038 /nfs/dbraw/zinc/42/10/38/617421038.db2.gz XNAOPSNDNNJFCL-JQWIXIFHSA-N 1 0 294.374 1.523 20 10 CDCDRO CC(C)C[C@H](C[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892037907 617429506 /nfs/dbraw/zinc/42/95/06/617429506.db2.gz OWBMDNGXOVVBHH-GFCCVEGCSA-N 1 0 277.368 1.791 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c(O)c1OC ZINC000892080764 617468020 /nfs/dbraw/zinc/46/80/20/617468020.db2.gz OSVZDLYHIWLWDV-LLVKDONJSA-N 1 0 294.351 1.072 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000892564240 617506785 /nfs/dbraw/zinc/50/67/85/617506785.db2.gz ANRZCMNHJUUUTF-OKILXGFUSA-N 1 0 290.411 1.631 20 10 CDCDRO COc1ccc(C[NH2+]CCN2CC[C@@H](C)C2)c(O)c1OC ZINC000893355223 617658987 /nfs/dbraw/zinc/65/89/87/617658987.db2.gz VMQPIJHIJUEVTH-GFCCVEGCSA-N 1 0 294.395 1.841 20 10 CDCDRO COCCNC(=O)C1([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000840823161 618676005 /nfs/dbraw/zinc/67/60/05/618676005.db2.gz UXQZHQDXSVEXCP-GFCCVEGCSA-N 1 0 292.379 1.646 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894380820 618837311 /nfs/dbraw/zinc/83/73/11/618837311.db2.gz AFZZRGPLKIWUOV-SNVBAGLBSA-N 1 0 266.341 1.323 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1O ZINC000894535226 618946354 /nfs/dbraw/zinc/94/63/54/618946354.db2.gz XIDUTNCLMSYFAP-DGCLKSJQSA-N 1 0 265.353 1.912 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1C ZINC000895315665 619545367 /nfs/dbraw/zinc/54/53/67/619545367.db2.gz IOJMQCHKHGHLCU-ZDUSSCGKSA-N 1 0 262.353 1.623 20 10 CDCDRO CCn1nccc1C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895480839 619689402 /nfs/dbraw/zinc/68/94/02/619689402.db2.gz NEGNELXDMJHIKY-UHFFFAOYSA-N 1 0 291.351 1.916 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c1O ZINC000895750356 619826668 /nfs/dbraw/zinc/82/66/68/619826668.db2.gz ZSXAGSFWIUGRDI-GJZGRUSLSA-N 1 0 279.380 1.974 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)O ZINC000898126030 621329425 /nfs/dbraw/zinc/32/94/25/621329425.db2.gz GDSVTXTWLGZZIQ-LBPRGKRZSA-N 1 0 296.386 1.911 20 10 CDCDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841087328 628428970 /nfs/dbraw/zinc/42/89/70/628428970.db2.gz UVKHKDKBKQBVAI-INIZCTEOSA-N 1 0 289.423 1.753 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910950936 629114743 /nfs/dbraw/zinc/11/47/43/629114743.db2.gz LPJCWCQNDRLLLE-LBPRGKRZSA-N 1 0 264.325 1.198 20 10 CDCDRO C[NH+]1CCC(C(=O)NCc2ccc(O)cc2O)CC1 ZINC000910950835 629114762 /nfs/dbraw/zinc/11/47/62/629114762.db2.gz KJFMZCUFWDWKNZ-UHFFFAOYSA-N 1 0 264.325 1.056 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000842475218 630682472 /nfs/dbraw/zinc/68/24/72/630682472.db2.gz LQQBDMXFWIOHJA-AMIZOPFISA-N 1 0 266.316 1.513 20 10 CDCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921751737 633265719 /nfs/dbraw/zinc/26/57/19/633265719.db2.gz MDKOKAXCTWHVEJ-CQSZACIVSA-N 1 0 295.404 1.678 20 10 CDCDRO CC[C@@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CCO1 ZINC001170171726 1162299062 /nfs/dbraw/zinc/29/90/62/1162299062.db2.gz ZRDHPYDPFFOWJA-VXGBXAGGSA-N 1 0 281.352 1.893 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000693874922 1159279520 /nfs/dbraw/zinc/27/95/20/1159279520.db2.gz ARUSGUCSIBCNSM-AWEZNQCLSA-N 1 0 275.396 1.800 20 10 CDCDRO COc1cccc(C[NH2+]C2CCS(=O)(=O)CC2)c1O ZINC000036331597 1165750608 /nfs/dbraw/zinc/75/06/08/1165750608.db2.gz LCRSGGAWBPPLON-UHFFFAOYSA-N 1 0 285.365 1.068 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)c(O)c1 ZINC000877595243 1166064671 /nfs/dbraw/zinc/06/46/71/1166064671.db2.gz WAIGHKFZEBAEDY-ZDUSSCGKSA-N 1 0 265.353 1.672 20 10 CDCDRO COCCN(C)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000061376811 1167408756 /nfs/dbraw/zinc/40/87/56/1167408756.db2.gz UTSHZAYIWCHZEK-UHFFFAOYSA-N 1 0 291.439 1.955 20 10 CDCDRO C[C@H](NC(=O)N1CC[NH2+][C@H]2C[C@H]21)c1ccc(N(C)C)cc1 ZINC001576201753 1171357410 /nfs/dbraw/zinc/35/74/10/1171357410.db2.gz YLXGMTNAYUEWIR-TUKIKUTGSA-N 1 0 288.395 1.569 20 10 CDCDRO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)C[C@H]1CC[NH3+] ZINC001579438014 1172179172 /nfs/dbraw/zinc/17/91/72/1172179172.db2.gz RGRWCLKKFKSMKB-RKDXNWHRSA-N 1 0 254.355 1.511 20 10 CDCDRO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[NH3+])c1 ZINC001579589349 1172218058 /nfs/dbraw/zinc/21/80/58/1172218058.db2.gz GDEJCVRCLXQQEO-UHFFFAOYSA-N 1 0 285.347 1.595 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000160368239 1178402806 /nfs/dbraw/zinc/40/28/06/1178402806.db2.gz KDMHSYZWXPCSJM-HNNXBMFYSA-N 1 0 275.396 1.983 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000866680978 1164807476 /nfs/dbraw/zinc/80/74/76/1164807476.db2.gz QOOWKIDGHMFPFR-BETUJISGSA-N 1 0 278.327 1.670 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccccc1O ZINC000870988161 1165249163 /nfs/dbraw/zinc/24/91/63/1165249163.db2.gz HFICICNWDBDHCD-FFSVYQOJSA-N 1 0 274.364 1.959 20 10 CDCDRO CCCOc1ccc(C[NH2+]CCOCCO)cc1C ZINC000873008894 1165502178 /nfs/dbraw/zinc/50/21/78/1165502178.db2.gz VBFKJRRPBBKSPS-UHFFFAOYSA-N 1 0 267.369 1.882 20 10 CDCDRO Cc1ccc(C[N@H+](C)CC(=O)N2CCCC2)c(O)c1 ZINC000876552605 1165870419 /nfs/dbraw/zinc/87/04/19/1165870419.db2.gz WXAMKQTXCPXFLG-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000126229669 1165937410 /nfs/dbraw/zinc/93/74/10/1165937410.db2.gz DOQNZCHTDCIQRJ-JTQLQIEISA-N 1 0 264.325 1.312 20 10 CDCDRO CSC[C@H](CCO)[NH2+]Cc1c(C)cccc1O ZINC000877050785 1165965153 /nfs/dbraw/zinc/96/51/53/1165965153.db2.gz DSDHJVGRSIIPPJ-NSHDSACASA-N 1 0 255.383 1.904 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC(O)(CO)CC1 ZINC000877629594 1166068239 /nfs/dbraw/zinc/06/82/39/1166068239.db2.gz WFYKSGAWVHOSHC-UHFFFAOYSA-N 1 0 251.326 1.020 20 10 CDCDRO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648228 1166392419 /nfs/dbraw/zinc/39/24/19/1166392419.db2.gz FUBAKRAESVJBKB-LLVKDONJSA-N 1 0 250.342 1.911 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)C(F)(F)F)OCO2 ZINC000227439405 796483281 /nfs/dbraw/zinc/48/32/81/796483281.db2.gz LATQTESSTYTOGG-SNVBAGLBSA-N 1 0 279.214 1.134 20 10 CDCDRO [NH3+][C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000841050093 796515052 /nfs/dbraw/zinc/51/50/52/796515052.db2.gz OPKADSGNICDROT-SNVBAGLBSA-N 1 0 285.731 1.781 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000844399711 796606961 /nfs/dbraw/zinc/60/69/61/796606961.db2.gz MUPZRUTWKTYVRG-UHFFFAOYSA-N 1 0 288.395 1.997 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000841963013 796634631 /nfs/dbraw/zinc/63/46/31/796634631.db2.gz NQWXVRFQNOZMTH-ZDUSSCGKSA-N 1 0 292.427 1.879 20 10 CDCDRO C[NH+](C)CC1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000193144913 796665501 /nfs/dbraw/zinc/66/55/01/796665501.db2.gz GTSRCVUKADFEAE-UHFFFAOYSA-N 1 0 292.379 1.948 20 10 CDCDRO O[C@@H](CNCc1ccc2c(c1)CCCO2)C[NH+]1CCCC1 ZINC000921586069 796781490 /nfs/dbraw/zinc/78/14/90/796781490.db2.gz IFHXGMKPLDJPPJ-INIZCTEOSA-N 1 0 290.407 1.558 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000817977379 796786112 /nfs/dbraw/zinc/78/61/12/796786112.db2.gz JBNBVKFWWOPKQQ-QWRGUYRKSA-N 1 0 280.368 1.957 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237814 796793404 /nfs/dbraw/zinc/79/34/04/796793404.db2.gz XAUJVCBCUZUILP-SECBINFHSA-N 1 0 286.169 1.969 20 10 CDCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000850417724 796821700 /nfs/dbraw/zinc/82/17/00/796821700.db2.gz JHAMVIZKLHXRGG-JOCQHMNTSA-N 1 0 280.343 1.275 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)c(O)c1 ZINC000877433647 796853276 /nfs/dbraw/zinc/85/32/76/796853276.db2.gz GQRHWHTYOXEAOP-OAHLLOKOSA-N 1 0 261.321 1.982 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1ccccc1O ZINC000323032893 796862110 /nfs/dbraw/zinc/86/21/10/796862110.db2.gz MSXRYVBJQAFVHM-JQWIXIFHSA-N 1 0 250.342 1.958 20 10 CDCDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(F)ccc1O)C2 ZINC000857226572 796873430 /nfs/dbraw/zinc/87/34/30/796873430.db2.gz RQWLKAKLISWQHU-BXUZGUMPSA-N 1 0 250.317 1.845 20 10 CDCDRO [O-]c1c(Br)cccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841079129 796916570 /nfs/dbraw/zinc/91/65/70/796916570.db2.gz ZEPUAGPNAOEDDM-JZYVYDRUSA-N 1 0 283.169 1.462 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000775994140 796922550 /nfs/dbraw/zinc/92/25/50/796922550.db2.gz FJZFPXNEJQFJCE-UHFFFAOYSA-N 1 0 287.319 1.455 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000840885477 796979289 /nfs/dbraw/zinc/97/92/89/796979289.db2.gz XAEJPBXZXRAVRI-JTQLQIEISA-N 1 0 299.392 1.629 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000809694033 797029996 /nfs/dbraw/zinc/02/99/96/797029996.db2.gz HYKGDMXFAOPWAZ-UHFFFAOYSA-N 1 0 269.316 1.553 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1O ZINC000846162994 797087820 /nfs/dbraw/zinc/08/78/20/797087820.db2.gz KARWPGFXNLXRIR-RISCZKNCSA-N 1 0 295.379 1.839 20 10 CDCDRO COC[C@]1(CN[C@@H](C)c2cc(F)ccc2O)CCC[NH2+]1 ZINC000817974930 797088424 /nfs/dbraw/zinc/08/84/24/797088424.db2.gz OKKPUWCRXDYFPX-XHDPSFHLSA-N 1 0 282.359 1.951 20 10 CDCDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000165603730 797178379 /nfs/dbraw/zinc/17/83/79/797178379.db2.gz HTTFBHKXJAAULY-AWEZNQCLSA-N 1 0 261.369 1.268 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CCCO2)cc1 ZINC000832278244 797190593 /nfs/dbraw/zinc/19/05/93/797190593.db2.gz CDDZTOCQPSWTNH-GJZGRUSLSA-N 1 0 291.395 1.438 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H](O)C2CC2)c1O ZINC000304770250 797335950 /nfs/dbraw/zinc/33/59/50/797335950.db2.gz BEKWAIQUQLESDJ-CQSZACIVSA-N 1 0 281.327 1.937 20 10 CDCDRO CCOc1ccc(CN[C@@H](CC[NH3+])C(F)F)c(O)c1 ZINC000841073257 797341792 /nfs/dbraw/zinc/34/17/92/797341792.db2.gz GEQPUHDAKBCHBS-NSHDSACASA-N 1 0 274.311 1.863 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000848917722 797385177 /nfs/dbraw/zinc/38/51/77/797385177.db2.gz KCYNYBSMDJBNDQ-UHFFFAOYSA-N 1 0 262.353 1.700 20 10 CDCDRO c1cc(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc2c1OCC2 ZINC000925560959 797409220 /nfs/dbraw/zinc/40/92/20/797409220.db2.gz XRUXKLSPRJEWGM-WAXYHTEFSA-N 1 0 270.376 1.708 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000835072671 797450692 /nfs/dbraw/zinc/45/06/92/797450692.db2.gz HWMHUQKOBNGCQU-UONOGXRCSA-N 1 0 274.364 1.944 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c(O)c1 ZINC000850342924 797481440 /nfs/dbraw/zinc/48/14/40/797481440.db2.gz OSQVEKZSECHEAP-SWLSCSKDSA-N 1 0 281.352 1.542 20 10 CDCDRO CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828666244 797495421 /nfs/dbraw/zinc/49/54/21/797495421.db2.gz CHRRNDUBLKDVFQ-MNOVXSKESA-N 1 0 280.368 1.966 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CCCO2)cc1 ZINC000832278245 797635967 /nfs/dbraw/zinc/63/59/67/797635967.db2.gz CDDZTOCQPSWTNH-HUUCEWRRSA-N 1 0 291.395 1.438 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000817958408 797697009 /nfs/dbraw/zinc/69/70/09/797697009.db2.gz JMQJQNYXACZMDN-MFKMUULPSA-N 1 0 280.368 1.813 20 10 CDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000876726456 797791472 /nfs/dbraw/zinc/79/14/72/797791472.db2.gz GZAOKPRMFPZBJS-ZDUSSCGKSA-N 1 0 291.395 1.137 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)F)cc2)CC1 ZINC000881852577 797806489 /nfs/dbraw/zinc/80/64/89/797806489.db2.gz WKSDRXSXOYBBSS-UHFFFAOYSA-N 1 0 293.386 1.803 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCC(CO)(OC)CC2)c1 ZINC000775203272 797818013 /nfs/dbraw/zinc/81/80/13/797818013.db2.gz CTQGAJRJRZJANQ-UHFFFAOYSA-N 1 0 295.379 1.764 20 10 CDCDRO C[NH2+]CCN(C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000070303476 797849000 /nfs/dbraw/zinc/84/90/00/797849000.db2.gz GMFZQEJZIWNWGI-UHFFFAOYSA-N 1 0 270.760 1.899 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC000827119809 797858029 /nfs/dbraw/zinc/85/80/29/797858029.db2.gz NZNOKFXSNUMNPD-AWEZNQCLSA-N 1 0 292.379 1.307 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)c(O)c1 ZINC000877477683 797871316 /nfs/dbraw/zinc/87/13/16/797871316.db2.gz HJPYEXJJMHVSPH-XIKOKIGWSA-N 1 0 267.394 1.901 20 10 CDCDRO COc1ccc(N2CCCN(CC(C)=O)CC2)cc1 ZINC000877984088 797872457 /nfs/dbraw/zinc/87/24/57/797872457.db2.gz YRNQYMGYBYACCU-UHFFFAOYSA-N 1 0 262.353 1.796 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709441 797879282 /nfs/dbraw/zinc/87/92/82/797879282.db2.gz GKJYPWIAHMNPJC-GFCCVEGCSA-N 1 0 276.384 1.433 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000846154541 797888307 /nfs/dbraw/zinc/88/83/07/797888307.db2.gz NSVDKMJLAHWSEQ-GHMZBOCLSA-N 1 0 290.363 1.815 20 10 CDCDRO COc1ccc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000112839497 797889541 /nfs/dbraw/zinc/88/95/41/797889541.db2.gz WLZQDQUSSSRVSI-CVEARBPZSA-N 1 0 290.407 1.956 20 10 CDCDRO COCC(COC)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000388398015 797973684 /nfs/dbraw/zinc/97/36/84/797973684.db2.gz KKQRYTFOPCTVHK-UHFFFAOYSA-N 1 0 289.759 1.805 20 10 CDCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000854233326 797975914 /nfs/dbraw/zinc/97/59/14/797975914.db2.gz XUPYUBJTCYNWPE-STQMWFEESA-N 1 0 295.402 1.921 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1F ZINC000827141795 798008531 /nfs/dbraw/zinc/00/85/31/798008531.db2.gz XZYLLNJORIMDQX-CYBMUJFWSA-N 1 0 282.359 1.739 20 10 CDCDRO CC[C@H](C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801562 912383399 /nfs/dbraw/zinc/38/33/99/912383399.db2.gz IGWAGTICVISJLB-LBPRGKRZSA-N 1 0 275.396 1.813 20 10 CDCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)F ZINC000698651747 912625269 /nfs/dbraw/zinc/62/52/69/912625269.db2.gz BOVWDSFGOBRWDO-ZDUSSCGKSA-N 1 0 257.280 1.727 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206222923 913028281 /nfs/dbraw/zinc/02/82/81/913028281.db2.gz RFTCIAIBBQUYKE-GFCCVEGCSA-N 1 0 290.285 1.866 20 10 CDCDRO [NH3+][C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001205109308 913672006 /nfs/dbraw/zinc/67/20/06/913672006.db2.gz DWCFPBUQDFHXLT-SNVBAGLBSA-N 1 0 256.296 1.984 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706804771 895806884 /nfs/dbraw/zinc/80/68/84/895806884.db2.gz QKEZJOPIFHLZAI-MRVPVSSYSA-N 1 0 290.157 1.252 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Cl)ccc1O ZINC000834895994 895984645 /nfs/dbraw/zinc/98/46/45/895984645.db2.gz GPLTYXMDERFQPJ-NQBHXWOUSA-N 1 0 271.744 1.846 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000694596109 898572627 /nfs/dbraw/zinc/57/26/27/898572627.db2.gz KSYAERWTEIOPGK-GFCCVEGCSA-N 1 0 299.392 1.458 20 10 CDCDRO C[C@H](CNC(=O)c1cccc(O)c1O)C[NH+]1CCCCC1 ZINC000186986330 899817454 /nfs/dbraw/zinc/81/74/54/899817454.db2.gz XXWWRACXLZVFHE-GFCCVEGCSA-N 1 0 292.379 1.950 20 10 CDCDRO CC(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000184921638 900825781 /nfs/dbraw/zinc/82/57/81/900825781.db2.gz OWRUXYPHFSPUDV-NSHDSACASA-N 1 0 250.342 1.877 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001236175113 914735239 /nfs/dbraw/zinc/73/52/39/914735239.db2.gz YRNNWULBSTVTRZ-QMMMGPOBSA-N 1 0 276.258 1.824 20 10 CDCDRO CC1([NH3+])CN(Cc2cc(Br)ccc2O)C1 ZINC001204966530 904776590 /nfs/dbraw/zinc/77/65/90/904776590.db2.gz XTQCPPZRAMLXSP-UHFFFAOYSA-N 1 0 271.158 1.688 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000841966397 908839490 /nfs/dbraw/zinc/83/94/90/908839490.db2.gz AWGPCILQSAXIBO-UHFFFAOYSA-N 1 0 290.411 1.775 20 10 CDCDRO [NH3+][C@@H]1CCN(Cc2ccc(O)c(O)c2)CC[C@H]1F ZINC001206152805 911054835 /nfs/dbraw/zinc/05/48/35/911054835.db2.gz AZPJQEICVYISHW-GHMZBOCLSA-N 1 0 254.305 1.359 20 10 CDCDRO O=C1C[C@@H]([N@H+]2CCc3cccc(O)c3C2)CCN1C1CC1 ZINC001172026719 911136003 /nfs/dbraw/zinc/13/60/03/911136003.db2.gz RNECOXGWLUYABX-AWEZNQCLSA-N 1 0 286.375 1.904 20 10 CDCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000168633871 911743670 /nfs/dbraw/zinc/74/36/70/911743670.db2.gz MFZRYDRAMZWBLD-AWEZNQCLSA-N 1 0 277.412 1.563 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000227974263 911816194 /nfs/dbraw/zinc/81/61/94/911816194.db2.gz PTCWAVSJWPDFJW-ZANVPECISA-N 1 0 271.744 1.675 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206185020 912107383 /nfs/dbraw/zinc/10/73/83/912107383.db2.gz KMKQTCALNRBVIR-UONOGXRCSA-N 1 0 281.375 1.719 20 10 CDCDRO Nc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000237857235 915406785 /nfs/dbraw/zinc/40/67/85/915406785.db2.gz GYMGSAKDFCXCLX-NSHDSACASA-N 1 0 251.355 1.302 20 10 CDCDRO CCOc1ccc(N2CCN(C[C@H](C)[NH3+])CC2)cc1 ZINC001236434730 915437158 /nfs/dbraw/zinc/43/71/58/915437158.db2.gz WKBGHRNWBYVWNB-ZDUSSCGKSA-N 1 0 263.385 1.555 20 10 CDCDRO CCC[NH+]1C[C@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@@H]2C1 ZINC001161176371 936376949 /nfs/dbraw/zinc/37/69/49/936376949.db2.gz TWMBTXPAXGSRIH-GJZGRUSLSA-N 1 0 287.407 1.612 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC(C)(C)[NH3+])c1 ZINC000828666434 936382505 /nfs/dbraw/zinc/38/25/05/936382505.db2.gz CIZWGYXMPNBSDF-VIFPVBQESA-N 1 0 266.341 1.705 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)c2coc(C[NH3+])c2)c1 ZINC000828666809 936383004 /nfs/dbraw/zinc/38/30/04/936383004.db2.gz IXBZYERGUPWATG-VIFPVBQESA-N 1 0 290.319 1.944 20 10 CDCDRO CCOc1cccc(CN(C)C[C@@H]([NH3+])CC)c1O ZINC001236865760 916967701 /nfs/dbraw/zinc/96/77/01/916967701.db2.gz OFZUDAVQZSKPRM-LBPRGKRZSA-N 1 0 252.358 1.960 20 10 CDCDRO CCc1cccc(C[N@H+](C)C[C@@H]2COCCO2)c1O ZINC000827139523 936492288 /nfs/dbraw/zinc/49/22/88/936492288.db2.gz BTNUHUCSTBKOEJ-CQSZACIVSA-N 1 0 265.353 1.802 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1COCCO1 ZINC000827140553 936493173 /nfs/dbraw/zinc/49/31/73/936493173.db2.gz LHQGSBQBIYBFOH-LLVKDONJSA-N 1 0 267.325 1.248 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCO2)cc1 ZINC000832266237 936570337 /nfs/dbraw/zinc/57/03/37/936570337.db2.gz DLARDBHNPXOOLD-KGLIPLIRSA-N 1 0 277.368 1.048 20 10 CDCDRO COc1c([O-])c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000843047527 919342465 /nfs/dbraw/zinc/34/24/65/919342465.db2.gz SMUFYKXAEUBFAA-JTQLQIEISA-N 1 0 295.339 1.480 20 10 CDCDRO COc1ccc(N2CCC[N@H+](CC[S@](C)=O)CC2)cc1 ZINC000827467967 936594219 /nfs/dbraw/zinc/59/42/19/936594219.db2.gz IIGYAOKGIRREJW-FQEVSTJZSA-N 1 0 296.436 1.586 20 10 CDCDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921847396 920624645 /nfs/dbraw/zinc/62/46/45/920624645.db2.gz IVYHTKOKXVMDDI-GFCCVEGCSA-N 1 0 297.420 1.924 20 10 CDCDRO CC[N@H+]1C[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]2C1 ZINC001140056022 936674569 /nfs/dbraw/zinc/67/45/69/936674569.db2.gz DXAQACOLOOCRCK-BETUJISGSA-N 1 0 264.344 1.915 20 10 CDCDRO O=C1CCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)N1 ZINC001140060281 936675377 /nfs/dbraw/zinc/67/53/77/936675377.db2.gz SZBGAKTZQVCWKW-UHFFFAOYSA-N 1 0 278.327 1.776 20 10 CDCDRO OC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140462920 936712631 /nfs/dbraw/zinc/71/26/31/936712631.db2.gz ODZMUEUENZQAJO-GWCFXTLKSA-N 1 0 271.744 1.221 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CC2C(=O)N=CNC2=O)cc1 ZINC001140474418 936713621 /nfs/dbraw/zinc/71/36/21/936713621.db2.gz LSCMPMPZPJNAKT-UHFFFAOYSA-N 1 0 288.351 1.586 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000835060762 936715588 /nfs/dbraw/zinc/71/55/88/936715588.db2.gz NDSUXOSDJSETKQ-AWEZNQCLSA-N 1 0 264.325 1.159 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+](C)C2CCN(C)CC2)c1O ZINC001140742723 936748561 /nfs/dbraw/zinc/74/85/61/936748561.db2.gz WPAGMWPYOJEYQO-UHFFFAOYSA-N 1 0 264.369 1.932 20 10 CDCDRO CCC[NH+]1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140749330 936749521 /nfs/dbraw/zinc/74/95/21/936749521.db2.gz VSWRKNFIJKAWIZ-UHFFFAOYSA-N 1 0 264.369 1.934 20 10 CDCDRO Cc1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c(O)c1 ZINC001140948087 936782531 /nfs/dbraw/zinc/78/25/31/936782531.db2.gz SAVNVQXJMZCHLR-CQSZACIVSA-N 1 0 277.364 1.816 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(OC)c1 ZINC001141031949 936796020 /nfs/dbraw/zinc/79/60/20/936796020.db2.gz OBYZMKNQGNUMNF-YGRLFVJLSA-N 1 0 281.352 1.612 20 10 CDCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000706539112 923066461 /nfs/dbraw/zinc/06/64/61/923066461.db2.gz KRLYFCDDVWTWLY-KOMQPUFPSA-N 1 0 276.380 1.790 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@H](CO)C3)ccc21 ZINC001141142761 936819768 /nfs/dbraw/zinc/81/97/68/936819768.db2.gz ADYRYHAAYCCZIB-ZDUSSCGKSA-N 1 0 262.353 1.329 20 10 CDCDRO COC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141145121 936820013 /nfs/dbraw/zinc/82/00/13/936820013.db2.gz QHDKNLQSNRMWLU-UHFFFAOYSA-N 1 0 278.352 1.510 20 10 CDCDRO O=C1CCN(Cc2cc(O)ccc2O)CC[C@H]1F ZINC001141156611 936821400 /nfs/dbraw/zinc/82/14/00/936821400.db2.gz ONJXDRNZLCHGTH-LLVKDONJSA-N 1 0 253.273 1.601 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001141156931 936821557 /nfs/dbraw/zinc/82/15/57/936821557.db2.gz YEIBJFGUDNUZSK-LLVKDONJSA-N 1 0 277.242 1.597 20 10 CDCDRO CCNC(=O)OC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159260 936821978 /nfs/dbraw/zinc/82/19/78/936821978.db2.gz BEHUKNBMQCFWNJ-UHFFFAOYSA-N 1 0 294.351 1.808 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1OC ZINC001141140110 936818452 /nfs/dbraw/zinc/81/84/52/936818452.db2.gz IMOYICPFSVPDEZ-IYBDPMFKSA-N 1 0 292.379 1.361 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(O)c(O)c1Cl ZINC001193236622 923555820 /nfs/dbraw/zinc/55/58/20/923555820.db2.gz JSSLTKKVHYYPFD-SECBINFHSA-N 1 0 298.770 1.965 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000711677810 923812906 /nfs/dbraw/zinc/81/29/06/923812906.db2.gz CGFQXHWUWKQDPG-GXFFZTMASA-N 1 0 283.393 1.477 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1cc(Cl)ccc1O ZINC000840805059 936961775 /nfs/dbraw/zinc/96/17/75/936961775.db2.gz LNJSIUJGOFEQDV-MWLCHTKSSA-N 1 0 296.758 1.349 20 10 CDCDRO COC(=O)c1ccc(C[NH2+]CCc2ccc(N)cc2)[nH]1 ZINC000841036514 936972856 /nfs/dbraw/zinc/97/28/56/936972856.db2.gz UBSHYFFJJTUADE-UHFFFAOYSA-N 1 0 273.336 1.716 20 10 CDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)cc1O ZINC001203880596 925165370 /nfs/dbraw/zinc/16/53/70/925165370.db2.gz VUAWJBHVEROWEM-PHIMTYICSA-N 1 0 285.290 1.811 20 10 CDCDRO C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](C)[NH3+] ZINC000841758887 937013988 /nfs/dbraw/zinc/01/39/88/937013988.db2.gz KUJCNJKTBALROG-NWDGAFQWSA-N 1 0 290.411 1.604 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC001203934607 925713670 /nfs/dbraw/zinc/71/36/70/925713670.db2.gz XRDMFKFVCPKZLW-UHFFFAOYSA-N 1 0 262.353 1.748 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000841982236 937026401 /nfs/dbraw/zinc/02/64/01/937026401.db2.gz LGYKNGLUDMPYME-LBPRGKRZSA-N 1 0 290.411 1.774 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841981787 937026573 /nfs/dbraw/zinc/02/65/73/937026573.db2.gz IVOZKTYVJSJQLY-STQMWFEESA-N 1 0 277.368 1.804 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c1O ZINC000775984584 925755628 /nfs/dbraw/zinc/75/56/28/925755628.db2.gz GZFWCEUIBZBRGC-NWDGAFQWSA-N 1 0 264.369 1.925 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841938677 937023962 /nfs/dbraw/zinc/02/39/62/937023962.db2.gz GUBHSRKYYQBXCO-CYBMUJFWSA-N 1 0 277.368 1.676 20 10 CDCDRO O=C([C@H]1CC2CC[NH+]1CC2)N1CCc2cccc(O)c2C1 ZINC001142629599 937041898 /nfs/dbraw/zinc/04/18/98/937041898.db2.gz PVWZOJXMZJFSRF-OAHLLOKOSA-N 1 0 286.375 1.761 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000842669791 937070726 /nfs/dbraw/zinc/07/07/26/937070726.db2.gz CVOUONCAZFAWCH-OCCSQVGLSA-N 1 0 294.370 1.929 20 10 CDCDRO C[C@@H](NC(=O)NCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776242636 926475321 /nfs/dbraw/zinc/47/53/21/926475321.db2.gz APNQKVDAFYPOID-GFCCVEGCSA-N 1 0 278.400 1.674 20 10 CDCDRO C[NH2+]CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843049620 937106838 /nfs/dbraw/zinc/10/68/38/937106838.db2.gz OYDAGXREIYHOAS-UHFFFAOYSA-N 1 0 252.333 1.963 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843390119 937144495 /nfs/dbraw/zinc/14/44/95/937144495.db2.gz HPNRJMKQXVGKCX-CYBMUJFWSA-N 1 0 278.352 1.119 20 10 CDCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000850548114 927445245 /nfs/dbraw/zinc/44/52/45/927445245.db2.gz XWGZKJOFEVSGHI-JTQLQIEISA-N 1 0 282.340 1.750 20 10 CDCDRO CN(C)c1ccc(CNC(=S)NCCC[NH+](C)C)cc1 ZINC000007500535 927449146 /nfs/dbraw/zinc/44/91/46/927449146.db2.gz ZANQGHCFKPCETN-UHFFFAOYSA-N 1 0 294.468 1.668 20 10 CDCDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1O ZINC000783533501 937274403 /nfs/dbraw/zinc/27/44/03/937274403.db2.gz RHQFQKPEQHBUAS-RISCZKNCSA-N 1 0 265.353 1.830 20 10 CDCDRO CC[N@H+](CCNC(=O)NCc1cc(C)ccc1O)C1CC1 ZINC000858194436 928818356 /nfs/dbraw/zinc/81/83/56/928818356.db2.gz FQXFYVLEZVSOLZ-UHFFFAOYSA-N 1 0 291.395 1.984 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000858283938 928829837 /nfs/dbraw/zinc/82/98/37/928829837.db2.gz AGQGOKQLUOHZLO-GXTWGEPZSA-N 1 0 291.395 1.983 20 10 CDCDRO CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccccc1O ZINC000858549665 928883041 /nfs/dbraw/zinc/88/30/41/928883041.db2.gz YJQSJHWTQCSTOA-TZMCWYRMSA-N 1 0 264.369 1.500 20 10 CDCDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1O ZINC000697619645 937284905 /nfs/dbraw/zinc/28/49/05/937284905.db2.gz FJFMZESZXUCJSY-UWVGGRQHSA-N 1 0 257.355 1.476 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NC ZINC000697822385 937286950 /nfs/dbraw/zinc/28/69/50/937286950.db2.gz BSEAFQRMSMQACF-JTQLQIEISA-N 1 0 256.733 1.660 20 10 CDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1cccc(CC)c1O 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CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c1 ZINC001232839253 943415791 /nfs/dbraw/zinc/41/57/91/943415791.db2.gz NMPCNVCXXSVYJA-HNNXBMFYSA-N 1 0 264.369 1.805 20 10 CDCDRO CCC[N@H+](CCOC)Cc1cc(O)c(O)c(O)c1 ZINC001233010835 943460824 /nfs/dbraw/zinc/46/08/24/943460824.db2.gz VKWHMXUZIASBHY-UHFFFAOYSA-N 1 0 255.314 1.662 20 10 CDCDRO Oc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc(O)c1O ZINC001233012158 943461886 /nfs/dbraw/zinc/46/18/86/943461886.db2.gz IYYPGWONYQXEEZ-LPEHRKFASA-N 1 0 253.273 1.736 20 10 CDCDRO CC[NH+]1CCC(N(C)Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233011530 943462223 /nfs/dbraw/zinc/46/22/23/943462223.db2.gz CKWSDGIUOORBNN-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO Oc1cc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc(O)c1O ZINC001233016782 943464354 /nfs/dbraw/zinc/46/43/54/943464354.db2.gz OCPCNWSUUWNYSU-OWUUHHOZSA-N 1 0 253.273 1.451 20 10 CDCDRO Oc1cc(CN2CCC[C@@H](n3cncn3)C2)cc(O)c1O ZINC001233016731 943464782 /nfs/dbraw/zinc/46/47/82/943464782.db2.gz MMPVYNUVCNALIS-LLVKDONJSA-N 1 0 290.323 1.232 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](CF)C2)cc1O ZINC001233485891 943592687 /nfs/dbraw/zinc/59/26/87/943592687.db2.gz PBAGEEMNVQCKGY-VIFPVBQESA-N 1 0 255.289 1.985 20 10 CDCDRO OCC[C@@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486084 943594062 /nfs/dbraw/zinc/59/40/62/943594062.db2.gz XQFKFIWDCBYHRU-JTQLQIEISA-N 1 0 267.325 1.398 20 10 CDCDRO CC[NH+]1CCN(c2ccc(O[C@H]3CCOC3=O)cc2)CC1 ZINC001234657228 943930638 /nfs/dbraw/zinc/93/06/38/943930638.db2.gz CRTAYYNZTVNNEP-HNNXBMFYSA-N 1 0 290.363 1.523 20 10 CDCDRO CCOc1cccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235983375 944347215 /nfs/dbraw/zinc/34/72/15/944347215.db2.gz ZNHPIUFZDKPCJT-IUODEOHRSA-N 1 0 262.353 1.714 20 10 CDCDRO CN1CCOc2cc(CN3C[C@H]4C[C@@]4([NH3+])C3)ccc21 ZINC001236022873 944378965 /nfs/dbraw/zinc/37/89/65/944378965.db2.gz FADLPRPMMDXRQF-IUODEOHRSA-N 1 0 259.353 1.048 20 10 CDCDRO COc1cc(O)c(CN2CC[C@H]([NH3+])C2)cc1Cl ZINC001236171504 944421795 /nfs/dbraw/zinc/42/17/95/944421795.db2.gz BRDWVIKVPGQMTA-VIFPVBQESA-N 1 0 256.733 1.587 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(C)ccc(C)c1O ZINC001236197420 944427448 /nfs/dbraw/zinc/42/74/48/944427448.db2.gz INYJFOPZFDMPMM-YPMHNXCESA-N 1 0 278.352 1.084 20 10 CDCDRO Fc1cc(N2CCOCC2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236282578 944442333 /nfs/dbraw/zinc/44/23/33/944442333.db2.gz CWRHUKSKXKYXAM-CJNGLKHVSA-N 1 0 291.370 1.066 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(OC)c1 ZINC001236290608 944448695 /nfs/dbraw/zinc/44/86/95/944448695.db2.gz TXBFSAKCCARKTL-GDBMZVCRSA-N 1 0 289.423 1.945 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@H]2C(C)=O)cc1OC ZINC001236758352 944559407 /nfs/dbraw/zinc/55/94/07/944559407.db2.gz VMQFVYQIROBISX-LBPRGKRZSA-N 1 0 279.336 1.963 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCCN(C)C(=O)C2)c(O)c1 ZINC001236793938 944571782 /nfs/dbraw/zinc/57/17/82/944571782.db2.gz HLGCAQADWGUYDN-UHFFFAOYSA-N 1 0 262.353 1.619 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCN3CCC2CC3)c(O)c1 ZINC001236810478 944576447 /nfs/dbraw/zinc/57/64/47/944576447.db2.gz HQGOKZXYNZSVBU-UHFFFAOYSA-N 1 0 276.380 1.989 20 10 CDCDRO COc1cc(C)c(C[NH+]2CC3(C2)CCN(C)C3=O)c(O)c1 ZINC001236816241 944578519 /nfs/dbraw/zinc/57/85/19/944578519.db2.gz RDQZNWOSTXJUOU-UHFFFAOYSA-N 1 0 290.363 1.373 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1O ZINC001236828001 944584763 /nfs/dbraw/zinc/58/47/63/944584763.db2.gz YWJJHNRUSCZRLH-HOCLYGCPSA-N 1 0 273.332 1.330 20 10 CDCDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(O)c1 ZINC001237046630 944645672 /nfs/dbraw/zinc/64/56/72/944645672.db2.gz UFZNGNLUSNZHNP-GOEBONIOSA-N 1 0 279.380 1.691 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCOC[C@@](C)(O)C2)c1O ZINC001238059253 945044217 /nfs/dbraw/zinc/04/42/17/945044217.db2.gz BIQJCCJKASECQG-AWEZNQCLSA-N 1 0 269.316 1.423 20 10 CDCDRO Cn1ccc(-c2cncc([C@@H]3C[NH+]4CCC3CC4)n2)cc1=O ZINC001240983474 946127591 /nfs/dbraw/zinc/12/75/91/946127591.db2.gz KBBVSGGXXWMOQK-CQSZACIVSA-N 1 0 296.374 1.652 20 10 CDCDRO Nc1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC001262488030 946682817 /nfs/dbraw/zinc/68/28/17/946682817.db2.gz NQIWXHXBAHBENE-HNNXBMFYSA-N 1 0 286.379 1.938 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCCOC2)cc1O ZINC001254364591 947389091 /nfs/dbraw/zinc/38/90/91/947389091.db2.gz WINSGLFXTGPPFM-JTQLQIEISA-N 1 0 253.298 1.115 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC001249172421 949440429 /nfs/dbraw/zinc/44/04/29/949440429.db2.gz MJKWYDLGBNQQAW-CYBMUJFWSA-N 1 0 293.363 1.312 20 10 CDCDRO C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC001326473279 954399627 /nfs/dbraw/zinc/39/96/27/954399627.db2.gz IIUIGSHALRADPL-WDEREUQCSA-N 1 0 280.368 1.685 20 10 CDCDRO Cc1cc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)ccc1N(C)C ZINC001331628396 957174435 /nfs/dbraw/zinc/17/44/35/957174435.db2.gz IBGHQRGWAMFLOI-GJZGRUSLSA-N 1 0 278.396 1.094 20 10 CDCDRO Nc1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1 ZINC001334775101 959350598 /nfs/dbraw/zinc/35/05/98/959350598.db2.gz RFXVLZFYZXWXJR-UHFFFAOYSA-N 1 0 287.342 1.520 20 10 CDCDRO Nc1ccc(C[NH2+]C2(CO)CCSCC2)cc1 ZINC001336286235 960288367 /nfs/dbraw/zinc/28/83/67/960288367.db2.gz PSTCYLBTDJPXCR-UHFFFAOYSA-N 1 0 252.383 1.617 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)[C@H](C)C[NH2+]1 ZINC001336290217 960290615 /nfs/dbraw/zinc/29/06/15/960290615.db2.gz KCUWQIFZBHBZCU-GHMZBOCLSA-N 1 0 262.357 1.161 20 10 CDCDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N)cc1 ZINC001336895346 960717969 /nfs/dbraw/zinc/71/79/69/960717969.db2.gz YNYJXGILURATCA-CYBMUJFWSA-N 1 0 264.373 1.586 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC001337834871 961455669 /nfs/dbraw/zinc/45/56/69/961455669.db2.gz YECZBICFFVMOLE-CYBMUJFWSA-N 1 0 262.353 1.854 20 10 CDCDRO Cn1cnnc1C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001337834001 961456222 /nfs/dbraw/zinc/45/62/22/961456222.db2.gz JOUKJPNEZBCCFS-UHFFFAOYSA-N 1 0 271.368 1.777 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CCSCCC[NH3+])cc1 ZINC001340152105 962779082 /nfs/dbraw/zinc/77/90/82/962779082.db2.gz RKGBQVOJCQLTPB-UHFFFAOYSA-N 1 0 295.452 1.841 20 10 CDCDRO C[NH2+]C1CC(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC001341677361 963507863 /nfs/dbraw/zinc/50/78/63/963507863.db2.gz MMHOLZKOAQTURE-UHFFFAOYSA-N 1 0 279.359 1.506 20 10 CDCDRO CC[C@H]([NH3+])CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001345103930 964575865 /nfs/dbraw/zinc/57/58/65/964575865.db2.gz JIHNMXAUCPVEIT-AWEZNQCLSA-N 1 0 294.418 1.404 20 10 CDCDRO COc1ccc(CNC(=O)N[C@@H]2C[NH2+]CC2(C)C)c(O)c1 ZINC001346674295 965206731 /nfs/dbraw/zinc/20/67/31/965206731.db2.gz BFYDXIIMTMJRDR-CYBMUJFWSA-N 1 0 293.367 1.198 20 10 CDCDRO Nc1ccc(CNC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC001346685489 965213476 /nfs/dbraw/zinc/21/34/76/965213476.db2.gz KKHCVEFLGLXDNR-AWEZNQCLSA-N 1 0 276.384 1.600 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC001353540879 968055910 /nfs/dbraw/zinc/05/59/10/968055910.db2.gz YVWNJBSTJLQBLG-CYBMUJFWSA-N 1 0 276.384 1.539 20 10 CDCDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001353562125 968068003 /nfs/dbraw/zinc/06/80/03/968068003.db2.gz SYWNLJQGGWTCLR-DLBZAZTESA-N 1 0 290.407 1.604 20 10 CDCDRO Nc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC001356083337 969328980 /nfs/dbraw/zinc/32/89/80/969328980.db2.gz NLRFTEKLSCQBAO-TZMCWYRMSA-N 1 0 250.342 1.146 20 10 CDCDRO CNC(=[NH2+])NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849043698 969430054 /nfs/dbraw/zinc/43/00/54/969430054.db2.gz FWZWIGUTJINDFP-LLVKDONJSA-N 1 0 262.357 1.265 20 10 CDCDRO [NH3+][C@@H]1C[C@H](C(=O)NCCCSc2nccs2)[C@H]2C[C@H]21 ZINC001521339568 970286457 /nfs/dbraw/zinc/28/64/57/970286457.db2.gz GYFHRVPFPUTXCU-ZRUFSTJUSA-N 1 0 297.449 1.725 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594261376 999009573 /nfs/dbraw/zinc/00/95/73/999009573.db2.gz NOWANORHBINAQP-CKYFFXLPSA-N 1 0 278.352 1.882 20 10 CDCDRO C[NH+](C)C1(C(=O)NCc2ccc(N)cc2)CCCC1 ZINC001578409118 1171900181 /nfs/dbraw/zinc/90/01/81/1171900181.db2.gz JYQIVWGFYDWEAM-UHFFFAOYSA-N 1 0 261.369 1.759 20 10 CDCDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001578731396 1171987729 /nfs/dbraw/zinc/98/77/29/1171987729.db2.gz UICXSTYGPNAIEP-LBPRGKRZSA-N 1 0 278.352 1.241 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)C[C@](C)(O)C(=O)OCC ZINC000274590018 365723066 /nfs/dbraw/zinc/72/30/66/365723066.db2.gz JUMSBEUZMFGUNK-INIZCTEOSA-N 1 0 295.379 1.918 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1 ZINC000188521605 282290789 /nfs/dbraw/zinc/29/07/89/282290789.db2.gz KCXKRXAUQCQBSA-CYBMUJFWSA-N 1 0 263.385 1.742 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)OC2C[NH2+]C2)cc1 ZINC001579224538 1172119869 /nfs/dbraw/zinc/11/98/69/1172119869.db2.gz NXNBISXQCAGJBU-UHFFFAOYSA-N 1 0 293.367 1.172 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000036794558 356884555 /nfs/dbraw/zinc/88/45/55/356884555.db2.gz OJTKAZVHZSHXOX-WDEREUQCSA-N 1 0 250.342 1.876 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000036794560 356884691 /nfs/dbraw/zinc/88/46/91/356884691.db2.gz OJTKAZVHZSHXOX-GHMZBOCLSA-N 1 0 250.342 1.876 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000179726503 357222570 /nfs/dbraw/zinc/22/25/70/357222570.db2.gz ISOUYGZSJBXGRI-CQSZACIVSA-N 1 0 290.363 1.644 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000051991445 357265150 /nfs/dbraw/zinc/26/51/50/357265150.db2.gz ZNQKEXFMNJIXGY-RYUDHWBXSA-N 1 0 251.326 1.794 20 10 CDCDRO Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)c(C)n1-c1ccccn1 ZINC000188468640 357901792 /nfs/dbraw/zinc/90/17/92/357901792.db2.gz LOSKYMCJLKBRPU-GFCCVEGCSA-N 1 0 298.390 1.923 20 10 CDCDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000188827394 357942292 /nfs/dbraw/zinc/94/22/92/357942292.db2.gz QCRSOIWSSNOKPV-INIZCTEOSA-N 1 0 278.396 1.990 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCN(C[C@H](C)O)CC2)cc1C ZINC000189850596 358042288 /nfs/dbraw/zinc/04/22/88/358042288.db2.gz DEELMIRVPXKEFB-AWEZNQCLSA-N 1 0 278.396 1.507 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2CCCC[C@@H]2O)cc1OC ZINC000190264226 358063257 /nfs/dbraw/zinc/06/32/57/358063257.db2.gz HOJZWTPDUJSGMX-RYUDHWBXSA-N 1 0 281.352 1.803 20 10 CDCDRO C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000192994967 358256131 /nfs/dbraw/zinc/25/61/31/358256131.db2.gz IHIJWOLEYFPOIR-OCCSQVGLSA-N 1 0 265.353 1.754 20 10 CDCDRO CN(C)C(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879438 358983955 /nfs/dbraw/zinc/98/39/55/358983955.db2.gz IKHHAAOTRZLPDH-UHFFFAOYSA-N 1 0 266.341 1.551 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000037824230 359233220 /nfs/dbraw/zinc/23/32/20/359233220.db2.gz ACKOZSIUWDECEX-INIZCTEOSA-N 1 0 287.407 1.898 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000230663353 360336271 /nfs/dbraw/zinc/33/62/71/360336271.db2.gz WGAKKSAYBYWBKG-GXSJLCMTSA-N 1 0 257.305 1.579 20 10 CDCDRO CC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000268740095 364086964 /nfs/dbraw/zinc/08/69/64/364086964.db2.gz PKZPEIKIZOFQHG-CYBMUJFWSA-N 1 0 281.375 1.848 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000271856239 365002120 /nfs/dbraw/zinc/00/21/20/365002120.db2.gz UZRDZSHURSJBBA-LBPRGKRZSA-N 1 0 284.787 1.856 20 10 CDCDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1 ZINC000272253996 365154903 /nfs/dbraw/zinc/15/49/03/365154903.db2.gz MBZOTFRTAGPLJN-AAEUAGOBSA-N 1 0 290.363 1.647 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000273371045 365489565 /nfs/dbraw/zinc/48/95/65/365489565.db2.gz CKMOZWBKFUUMPA-YPMHNXCESA-N 1 0 282.359 1.903 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COCCN2)c(O)c1C ZINC000530225637 368151452 /nfs/dbraw/zinc/15/14/52/368151452.db2.gz MKKAQYPDPXGSGF-STQMWFEESA-N 1 0 264.369 1.648 20 10 CDCDRO COc1cc(O)c(C[NH2+]Cc2cc(C)nn2C)cc1OC ZINC000284392545 368516418 /nfs/dbraw/zinc/51/64/18/368516418.db2.gz PGAGKXIIFSNHQC-UHFFFAOYSA-N 1 0 291.351 1.741 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1O ZINC000273580540 371168270 /nfs/dbraw/zinc/16/82/70/371168270.db2.gz MOGRIWUIKKVVJM-PSASIEDQSA-N 1 0 252.289 1.413 20 10 CDCDRO CC(C)NC(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295879783 371401200 /nfs/dbraw/zinc/40/12/00/371401200.db2.gz HNZJPCXYVCCWRU-GFCCVEGCSA-N 1 0 262.353 1.884 20 10 CDCDRO CN(C)C(=O)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297766247 371459194 /nfs/dbraw/zinc/45/91/94/371459194.db2.gz OZROKYJJSCMFRH-GFCCVEGCSA-N 1 0 262.353 1.838 20 10 CDCDRO CN(C)c1ccc(CN(C(=O)C[NH+](C)C)C2CC2)cc1 ZINC000298720014 372255851 /nfs/dbraw/zinc/25/58/51/372255851.db2.gz QHFMGWJOQKLVIL-UHFFFAOYSA-N 1 0 275.396 1.805 20 10 CDCDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000292028913 377586415 /nfs/dbraw/zinc/58/64/15/377586415.db2.gz XLLHXAYPVHIARP-SNVBAGLBSA-N 1 0 266.341 1.556 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000293754880 378589003 /nfs/dbraw/zinc/58/90/03/378589003.db2.gz OLUCFPSKDUFODE-NEPJUHHUSA-N 1 0 262.353 1.890 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2COC[C@H]2O)ccc1OC ZINC000295634463 378690318 /nfs/dbraw/zinc/69/03/18/378690318.db2.gz PBZPWTKPFBTZDS-ZIAGYGMSSA-N 1 0 281.352 1.081 20 10 CDCDRO COC[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000133719581 390937555 /nfs/dbraw/zinc/93/75/55/390937555.db2.gz RPFJPRYPGOACQI-CQSZACIVSA-N 1 0 278.396 1.990 20 10 CDCDRO COCC[NH+](CCOC)Cc1cccc(OC)c1O ZINC000133416767 390902903 /nfs/dbraw/zinc/90/29/03/390902903.db2.gz VGUQENZYVOXIBL-UHFFFAOYSA-N 1 0 269.341 1.496 20 10 CDCDRO C[S@](=O)C1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000281931689 390972448 /nfs/dbraw/zinc/97/24/48/390972448.db2.gz ZXLXZNFXICHUCP-SFHVURJKSA-N 1 0 271.357 1.922 20 10 CDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NC ZINC000174374439 391121376 /nfs/dbraw/zinc/12/13/76/391121376.db2.gz WWXTUHBGUHCBLK-NSHDSACASA-N 1 0 293.367 1.448 20 10 CDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000168149987 391268023 /nfs/dbraw/zinc/26/80/23/391268023.db2.gz FTBMVDZBDRUYNW-DYZYQPBXSA-N 1 0 253.367 1.478 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1F ZINC000271191268 391290319 /nfs/dbraw/zinc/29/03/19/391290319.db2.gz QGTODGPTWGAYFY-GFCCVEGCSA-N 1 0 293.386 1.979 20 10 CDCDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000120432502 391328449 /nfs/dbraw/zinc/32/84/49/391328449.db2.gz UDOKYSWNIAUGOY-XJKSGUPXSA-N 1 0 276.380 1.790 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000364465133 391375890 /nfs/dbraw/zinc/37/58/90/391375890.db2.gz ISESDGKTGSYDJG-CQSZACIVSA-N 1 0 261.369 1.460 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000282108677 391672667 /nfs/dbraw/zinc/67/26/67/391672667.db2.gz DRXQNUZHGXOARI-CYBMUJFWSA-N 1 0 251.326 1.109 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](CCO)CCCO)c1O ZINC000273798793 286223211 /nfs/dbraw/zinc/22/32/11/286223211.db2.gz WPRRYAAFTDVWKZ-UHFFFAOYSA-N 1 0 289.759 1.231 20 10 CDCDRO CCOc1ccc(O)c(C[NH+]2CCN(C)CC2)c1 ZINC000154401210 261091110 /nfs/dbraw/zinc/09/11/10/261091110.db2.gz FJXFHMQTWATDEH-UHFFFAOYSA-N 1 0 250.342 1.538 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CCC[NH3+])cc1F ZINC000166462568 261389938 /nfs/dbraw/zinc/38/99/38/261389938.db2.gz GTWWRZOWIVQWJD-UHFFFAOYSA-N 1 0 253.321 1.247 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000180011354 261831771 /nfs/dbraw/zinc/83/17/71/261831771.db2.gz ZZVLAWZUSJZCCY-UHFFFAOYSA-N 1 0 293.363 1.986 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1F ZINC000184196961 262011887 /nfs/dbraw/zinc/01/18/87/262011887.db2.gz XKZBMPBIZWXODI-MRXNPFEDSA-N 1 0 296.386 1.913 20 10 CDCDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(F)ccc1O ZINC000186221830 262084334 /nfs/dbraw/zinc/08/43/34/262084334.db2.gz JINJETSFHJDQID-MRVPVSSYSA-N 1 0 254.305 1.693 20 10 CDCDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(O)c2O)C1 ZINC000186939557 262117149 /nfs/dbraw/zinc/11/71/49/262117149.db2.gz NTBMYUIPWUXVBO-NSHDSACASA-N 1 0 278.352 1.560 20 10 CDCDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000195171531 262247515 /nfs/dbraw/zinc/24/75/15/262247515.db2.gz DSTFYYWAIJXPNK-OAHLLOKOSA-N 1 0 287.407 1.903 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCOCCO)c1 ZINC000186514016 262316210 /nfs/dbraw/zinc/31/62/10/262316210.db2.gz IOXCPLNUZXDEBD-LLVKDONJSA-N 1 0 269.341 1.450 20 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1.711 20 10 CDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000083551507 521743593 /nfs/dbraw/zinc/74/35/93/521743593.db2.gz XTIWPHJBLGZFEL-MRVPVSSYSA-N 1 0 256.733 1.660 20 10 CDCDRO COC(=O)c1cc(C[NH2+]Cc2cccc(OC)c2O)c[nH]1 ZINC000289495567 521858133 /nfs/dbraw/zinc/85/81/33/521858133.db2.gz SGHJCAWVKLANBP-UHFFFAOYSA-N 1 0 290.319 1.805 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]CC2CC2)cc1 ZINC000040825897 522191093 /nfs/dbraw/zinc/19/10/93/522191093.db2.gz XTLKAPJLVHTCQH-UHFFFAOYSA-N 1 0 261.369 1.368 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000204241255 522200996 /nfs/dbraw/zinc/20/09/96/522200996.db2.gz GIFRJNQBPQJXAC-KRWDZBQOSA-N 1 0 297.402 1.939 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@@H]1CCCO1 ZINC000278699486 522747273 /nfs/dbraw/zinc/74/72/73/522747273.db2.gz QQRUZCDWOGJOGQ-ZFWWWQNUSA-N 1 0 265.353 1.984 20 10 CDCDRO C[C@@H](CCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000097440200 524506702 /nfs/dbraw/zinc/50/67/02/524506702.db2.gz BGTBZDYOVSOHII-VIFPVBQESA-N 1 0 253.298 1.229 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccccc1O ZINC000068800506 525422067 /nfs/dbraw/zinc/42/20/67/525422067.db2.gz MLCJIKCUKIHMPS-STQMWFEESA-N 1 0 263.385 1.289 20 10 CDCDRO Cc1c(C[NH2+]Cc2ccc3c(c2)CCO3)cnn1C ZINC000161659197 525726217 /nfs/dbraw/zinc/72/62/17/525726217.db2.gz MHAMQXBCOWDPRP-UHFFFAOYSA-N 1 0 257.337 1.953 20 10 CDCDRO COc1cccc(CNC(=O)C[NH+]2CCC(C)CC2)c1O ZINC000131286658 525969502 /nfs/dbraw/zinc/96/95/02/525969502.db2.gz RBCVVFDUYKTNDO-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000279851414 526013718 /nfs/dbraw/zinc/01/37/18/526013718.db2.gz RTHYWFOISHRQGI-UHFFFAOYSA-N 1 0 299.392 1.458 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](n3cccn3)C1)OCO2 ZINC000290863779 526335957 /nfs/dbraw/zinc/33/59/57/526335957.db2.gz ANXXLTIJWUNFIY-GFCCVEGCSA-N 1 0 287.319 1.764 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CCOC3)C1)OCO2 ZINC000151296676 526336827 /nfs/dbraw/zinc/33/68/27/526336827.db2.gz JPOZYHLISHNQRN-OAHLLOKOSA-N 1 0 277.320 1.733 20 10 CDCDRO O=C1NCCN1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000127637393 527069778 /nfs/dbraw/zinc/06/97/78/527069778.db2.gz DKZCTAOPSYGUKN-UHFFFAOYSA-N 1 0 275.352 1.382 20 10 CDCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083551548 527308757 /nfs/dbraw/zinc/30/87/57/527308757.db2.gz KJAUOFBBJUSQTL-MRVPVSSYSA-N 1 0 275.757 1.322 20 10 CDCDRO COCC1(O)CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000758373812 574916822 /nfs/dbraw/zinc/91/68/22/574916822.db2.gz FUOKOHYYIMNMGH-UHFFFAOYSA-N 1 0 279.380 1.982 20 10 CDCDRO CCN1CCOC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000767162340 576164111 /nfs/dbraw/zinc/16/41/11/576164111.db2.gz ZAOOUJCZVZDNNJ-OAHLLOKOSA-N 1 0 291.395 1.090 20 10 CDCDRO COc1c(O)c(C[N@H+]2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000774904143 575249829 /nfs/dbraw/zinc/24/98/29/575249829.db2.gz CGAWOFSPXHCKNM-SNVBAGLBSA-N 1 0 282.296 1.530 20 10 CDCDRO CCOC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000771765625 575609111 /nfs/dbraw/zinc/60/91/11/575609111.db2.gz CMKLXXSKKLWXIT-BMIGLBTASA-N 1 0 297.351 1.366 20 10 CDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CCCOC1 ZINC000768453585 576285794 /nfs/dbraw/zinc/28/57/94/576285794.db2.gz ZCLPKCMGFKVOBJ-ABAIWWIYSA-N 1 0 293.363 1.676 20 10 CDCDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462080 576286751 /nfs/dbraw/zinc/28/67/51/576286751.db2.gz IVLLOPSHIPMIOK-WBIUFABUSA-N 1 0 293.363 1.553 20 10 CDCDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)CN1CC[NH+](C)CC1 ZINC000748362938 576908886 /nfs/dbraw/zinc/90/88/86/576908886.db2.gz GPIZDAPKGLEXHB-NSHDSACASA-N 1 0 297.424 1.067 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1OC ZINC000891451727 617414295 /nfs/dbraw/zinc/41/42/95/617414295.db2.gz RYYALPIHWJQONL-LLVKDONJSA-N 1 0 267.325 1.366 20 10 CDCDRO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1O ZINC000892027992 617422095 /nfs/dbraw/zinc/42/20/95/617422095.db2.gz OXTBUVMIDRSQMF-CABZTGNLSA-N 1 0 263.341 1.490 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000892038950 617434201 /nfs/dbraw/zinc/43/42/01/617434201.db2.gz LQCORIAASRPTIQ-HNNXBMFYSA-N 1 0 290.411 1.724 20 10 CDCDRO CC[C@H](O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893161959 617422196 /nfs/dbraw/zinc/42/21/96/617422196.db2.gz ZXEMKCBFAOJCBP-NSHDSACASA-N 1 0 269.341 1.660 20 10 CDCDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C2)c(O)c1OC ZINC000892071094 617461224 /nfs/dbraw/zinc/46/12/24/617461224.db2.gz VXQBLFGUMTYZPE-LLVKDONJSA-N 1 0 267.325 1.630 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1O ZINC000892081809 617468882 /nfs/dbraw/zinc/46/88/82/617468882.db2.gz FBEQGNQJWNNBGL-RYUDHWBXSA-N 1 0 277.368 1.895 20 10 CDCDRO COc1ccc(C[NH+]2CCC(CO)CC2)c(O)c1OC ZINC000891573636 617484788 /nfs/dbraw/zinc/48/47/88/617484788.db2.gz HCEQOSXXUZZHQI-UHFFFAOYSA-N 1 0 281.352 1.614 20 10 CDCDRO C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1O ZINC000892170190 617523404 /nfs/dbraw/zinc/52/34/04/617523404.db2.gz PYBNWPXADWDQIH-QJPTWQEYSA-N 1 0 277.368 1.880 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2CCS(=O)CC2)cc1F ZINC000892737874 617683142 /nfs/dbraw/zinc/68/31/42/617683142.db2.gz NGVZKIFBUMLMML-UHFFFAOYSA-N 1 0 284.400 1.892 20 10 CDCDRO CS/C=C/C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843297353 617697808 /nfs/dbraw/zinc/69/78/08/617697808.db2.gz HLYPPTNVPCPTOK-XEHSLEBBSA-N 1 0 279.409 1.745 20 10 CDCDRO CC(C)(CC[NH2+]Cc1ccccc1O)S(C)(=O)=O ZINC000840960558 617838792 /nfs/dbraw/zinc/83/87/92/617838792.db2.gz ONBFSGAAWSCEOA-UHFFFAOYSA-N 1 0 271.382 1.695 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1O ZINC000840976438 617976575 /nfs/dbraw/zinc/97/65/75/617976575.db2.gz BWKGEKGSEXZCND-DGCLKSJQSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@@H]1CC[N@H+](CCNC(=O)N(C)Cc2ccccc2O)C1 ZINC000897427954 620776835 /nfs/dbraw/zinc/77/68/35/620776835.db2.gz BJCGOOUKOPFPGV-CYBMUJFWSA-N 1 0 291.395 1.875 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1O ZINC000893978021 618232960 /nfs/dbraw/zinc/23/29/60/618232960.db2.gz MZIRMUDUMZLWDW-ZDUSSCGKSA-N 1 0 292.379 1.939 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894259051 618311916 /nfs/dbraw/zinc/31/19/16/618311916.db2.gz PYUBWQZFXQYAAY-HNNXBMFYSA-N 1 0 283.368 1.586 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCOC1 ZINC000795582102 618389399 /nfs/dbraw/zinc/38/93/99/618389399.db2.gz ICFSLICDAABHFW-ZYHUDNBSSA-N 1 0 285.771 1.780 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)c1O ZINC000894287700 618488124 /nfs/dbraw/zinc/48/81/24/618488124.db2.gz JQYVXBVYHQNCCR-YPMHNXCESA-N 1 0 292.379 1.843 20 10 CDCDRO COC[C@]1(CNCc2cc(C)c(C)cc2O)CCC[NH2+]1 ZINC000841068141 618680527 /nfs/dbraw/zinc/68/05/27/618680527.db2.gz WGFBZERNXXLPRX-MRXNPFEDSA-N 1 0 278.396 1.867 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCS(C)(=O)=O)c1O ZINC000894237689 618742842 /nfs/dbraw/zinc/74/28/42/618742842.db2.gz LULNVJVEPADPEE-UHFFFAOYSA-N 1 0 287.381 1.234 20 10 CDCDRO COc1ccc(CN(C)CC[N@H+](C)C2CC2)c(O)c1OC ZINC000894476176 618908853 /nfs/dbraw/zinc/90/88/53/618908853.db2.gz CMDXQIXESHEZQG-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO COc1cc(C)cc(C[NH+]2CC3(C2)CCOC3)c1O ZINC000894868297 619110617 /nfs/dbraw/zinc/11/06/17/619110617.db2.gz QGDHQCVHKSJXAN-UHFFFAOYSA-N 1 0 263.337 1.932 20 10 CDCDRO CCc1cccc(C[NH2+]CCN2CCNC2=O)c1O ZINC000895813923 619857560 /nfs/dbraw/zinc/85/75/60/619857560.db2.gz KTIUMPJNCVNBEZ-UHFFFAOYSA-N 1 0 263.341 1.069 20 10 CDCDRO COc1ccc(C[N@@H+]2CCSC[C@@H]2CO)c(O)c1OC ZINC000895923119 619901881 /nfs/dbraw/zinc/90/18/81/619901881.db2.gz ISQMUZSEHLAPLK-NSHDSACASA-N 1 0 299.392 1.319 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1OC ZINC000895938349 619913650 /nfs/dbraw/zinc/91/36/50/619913650.db2.gz BQICXJNOGPSKAV-HOMQSWHASA-N 1 0 267.325 1.270 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000896383837 620080425 /nfs/dbraw/zinc/08/04/25/620080425.db2.gz FNKCPQDKMWISRB-CYBMUJFWSA-N 1 0 293.363 1.986 20 10 CDCDRO CCc1cccc(C[NH2+]CCO[C@H]2CCOC2)c1O ZINC000897202397 620414766 /nfs/dbraw/zinc/41/47/66/620414766.db2.gz SVNWGLRKDZYFBI-AWEZNQCLSA-N 1 0 265.353 1.850 20 10 CDCDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897681482 621069911 /nfs/dbraw/zinc/06/99/11/621069911.db2.gz VWFSETCYZZBRGY-KCJUWKMLSA-N 1 0 271.744 1.867 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000897681483 621070248 /nfs/dbraw/zinc/07/02/48/621070248.db2.gz VWFSETCYZZBRGY-KWQFWETISA-N 1 0 271.744 1.867 20 10 CDCDRO CCC[C@H](O)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911668246 629387676 /nfs/dbraw/zinc/38/76/76/629387676.db2.gz XFKFMYMMIZDNMB-KGLIPLIRSA-N 1 0 279.384 1.030 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)C[NH2+]C1CC1 ZINC000154353356 632192498 /nfs/dbraw/zinc/19/24/98/632192498.db2.gz FKRAWQWFPKBHGH-UHFFFAOYSA-N 1 0 262.353 1.883 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CNC(=O)C1 ZINC000398423862 1158766884 /nfs/dbraw/zinc/76/68/84/1158766884.db2.gz WIJTZMJNEZCAAD-UTUOFQBUSA-N 1 0 274.364 1.975 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000793384916 1162417528 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CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Cl)ccc1O ZINC000866419639 1164779132 /nfs/dbraw/zinc/77/91/32/1164779132.db2.gz GPLTYXMDERFQPJ-WZRBSPASSA-N 1 0 271.744 1.846 20 10 CDCDRO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1O ZINC000868366708 1164939218 /nfs/dbraw/zinc/93/92/18/1164939218.db2.gz VMVDXAJUWPGTDP-NEPJUHHUSA-N 1 0 289.379 1.989 20 10 CDCDRO Cc1conc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507003 1165859174 /nfs/dbraw/zinc/85/91/74/1165859174.db2.gz SOXSABSPWLJQMC-CYBMUJFWSA-N 1 0 288.351 1.479 20 10 CDCDRO Cc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)c(O)c1 ZINC000876511941 1165860145 /nfs/dbraw/zinc/86/01/45/1165860145.db2.gz CQTUWPMHFAQVBB-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000877007482 1165958835 /nfs/dbraw/zinc/95/88/35/1165958835.db2.gz RXTRGRNLTPAPDT-CYBMUJFWSA-N 1 0 265.353 1.843 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]Cc1ccnc(N(C)C)n1 ZINC000877136272 1165980127 /nfs/dbraw/zinc/98/01/27/1165980127.db2.gz 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CC[C@H]([NH3+])CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000841760299 805229539 /nfs/dbraw/zinc/22/95/39/805229539.db2.gz UJYZZIJQXFTNSZ-AWEZNQCLSA-N 1 0 290.411 1.606 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000840977011 805308318 /nfs/dbraw/zinc/30/83/18/805308318.db2.gz ZYMROSLQCXQZKM-YPMHNXCESA-N 1 0 285.771 1.529 20 10 CDCDRO OC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)C3)cc2)CC1 ZINC000876528203 805329915 /nfs/dbraw/zinc/32/99/15/805329915.db2.gz SHAYAIHTHSQCQZ-QGZVFWFLSA-N 1 0 290.407 1.604 20 10 CDCDRO C[C@@H](NC(=O)CC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237562651 805368193 /nfs/dbraw/zinc/36/81/93/805368193.db2.gz OYAWLFQVWKASAH-GFCCVEGCSA-N 1 0 277.368 1.049 20 10 CDCDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831947 811133488 /nfs/dbraw/zinc/13/34/88/811133488.db2.gz IDPUFMICODHIIM-CYBMUJFWSA-N 1 0 288.395 1.457 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)CO)cc1Cn1cccn1 ZINC000873063230 811355259 /nfs/dbraw/zinc/35/52/59/811355259.db2.gz OAZKNBJPFBJXQZ-LBPRGKRZSA-N 1 0 275.352 1.410 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@H]2COCO2)c(O)c1 ZINC000894874031 811368893 /nfs/dbraw/zinc/36/88/93/811368893.db2.gz VCOUCPAKLYIEMQ-LBPRGKRZSA-N 1 0 253.298 1.253 20 10 CDCDRO CCN(CCS(C)(=O)=O)Cc1ccc(C)cc1O ZINC000876783443 811387578 /nfs/dbraw/zinc/38/75/78/811387578.db2.gz CCOKQTBBIKYWCA-UHFFFAOYSA-N 1 0 271.382 1.567 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000877625058 811424599 /nfs/dbraw/zinc/42/45/99/811424599.db2.gz HEOMVDMVLLYSJS-GFCCVEGCSA-N 1 0 276.336 1.727 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H](C)CC(N)=O)cc1Cl ZINC000825352901 811633860 /nfs/dbraw/zinc/63/38/60/811633860.db2.gz JYALDWADOOELOM-MRVPVSSYSA-N 1 0 256.733 1.708 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCC[S@](C)=O)c1 ZINC000164717646 811819845 /nfs/dbraw/zinc/81/98/45/811819845.db2.gz DRXUDRBZDUGODK-QGZVFWFLSA-N 1 0 257.355 1.259 20 10 CDCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000832178050 811828136 /nfs/dbraw/zinc/82/81/36/811828136.db2.gz LPGQHQPXOCRZCD-CQSZACIVSA-N 1 0 266.341 1.535 20 10 CDCDRO O[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC[C@@H]1O ZINC000886259865 811840684 /nfs/dbraw/zinc/84/06/84/811840684.db2.gz KENXKCBGEACTQV-QDMKHBRRSA-N 1 0 277.364 1.376 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCCOCC1 ZINC000877526989 811852698 /nfs/dbraw/zinc/85/26/98/811852698.db2.gz HKHPIFMFQKQJGU-UHFFFAOYSA-N 1 0 264.369 1.513 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2CC2)cc1 ZINC000832300182 811869156 /nfs/dbraw/zinc/86/91/56/811869156.db2.gz NRNAHWVTJMQXKF-CQSZACIVSA-N 1 0 261.369 1.669 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1 ZINC000848566871 811882127 /nfs/dbraw/zinc/88/21/27/811882127.db2.gz LFQGMWZBKVKURL-ZDUSSCGKSA-N 1 0 285.395 1.528 20 10 CDCDRO C[C@@H]([NH3+])CN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000863653617 811890625 /nfs/dbraw/zinc/89/06/25/811890625.db2.gz OJDKQPJNTKEWRU-GFCCVEGCSA-N 1 0 281.375 1.441 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000877467156 811902535 /nfs/dbraw/zinc/90/25/35/811902535.db2.gz XARBFBWGOBECKK-YWPYICTPSA-N 1 0 274.364 1.786 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c(O)c1 ZINC000858282232 811975437 /nfs/dbraw/zinc/97/54/37/811975437.db2.gz USMUPNDIOYVPMA-ZWNOBZJWSA-N 1 0 299.392 1.456 20 10 CDCDRO CCOCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279601 812008581 /nfs/dbraw/zinc/00/85/81/812008581.db2.gz KLBKUDJNQCJKJJ-CQSZACIVSA-N 1 0 279.384 1.295 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000876956848 812016228 /nfs/dbraw/zinc/01/62/28/812016228.db2.gz PBWNPNDVJZMIHX-UHFFFAOYSA-N 1 0 250.342 1.707 20 10 CDCDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000382571319 812028910 /nfs/dbraw/zinc/02/89/10/812028910.db2.gz QNGXDAMOJWJNHY-TVQRCGJNSA-N 1 0 257.305 1.579 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000877436943 812032174 /nfs/dbraw/zinc/03/21/74/812032174.db2.gz PKDNPAGOCSXKPT-GXFFZTMASA-N 1 0 262.353 1.786 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1CO ZINC000877764838 812051612 /nfs/dbraw/zinc/05/16/12/812051612.db2.gz NAERFMFGKULUFW-GASCZTMLSA-N 1 0 287.359 1.578 20 10 CDCDRO COc1ccc(O)c([C@H](C)NCc2nnnn2C2CC2)c1 ZINC000775369690 812085342 /nfs/dbraw/zinc/08/53/42/812085342.db2.gz FKBKJAVAYUKUKQ-VIFPVBQESA-N 1 0 289.339 1.573 20 10 CDCDRO Cc1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(O)c1 ZINC000876777582 812327692 /nfs/dbraw/zinc/32/76/92/812327692.db2.gz XTSOMCPUXAXKDA-UHFFFAOYSA-N 1 0 285.347 1.353 20 10 CDCDRO CCOc1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)c(O)c1 ZINC000846111819 812413956 /nfs/dbraw/zinc/41/39/56/812413956.db2.gz VZMFNPIEYYSUFZ-INIZCTEOSA-N 1 0 295.379 1.812 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000070171773 812451323 /nfs/dbraw/zinc/45/13/23/812451323.db2.gz VMFKQIMCTABALT-RYUDHWBXSA-N 1 0 264.369 1.960 20 10 CDCDRO CCc1cccc(C[NH+]2CCN(C[C@H](C)O)CC2)c1O ZINC000848885950 812736103 /nfs/dbraw/zinc/73/61/03/812736103.db2.gz PEVAXGUKZVLGIB-ZDUSSCGKSA-N 1 0 278.396 1.453 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCO[C@H]1CCOC1 ZINC000922938924 812809816 /nfs/dbraw/zinc/80/98/16/812809816.db2.gz XTONZFVSTUSLRV-JTQLQIEISA-N 1 0 271.744 1.941 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1C ZINC000886249709 812826158 /nfs/dbraw/zinc/82/61/58/812826158.db2.gz RINFRQLIZXEKJP-QKDCVEJESA-N 1 0 279.380 1.758 20 10 CDCDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc(C)c1O ZINC000824708448 812838238 /nfs/dbraw/zinc/83/82/38/812838238.db2.gz GSPDRWWUVLIHAR-GXTWGEPZSA-N 1 0 265.353 1.842 20 10 CDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226611315 812857017 /nfs/dbraw/zinc/85/70/17/812857017.db2.gz IEBVIJZKJWENDT-NSHDSACASA-N 1 0 273.329 1.198 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1C ZINC000249503710 812877509 /nfs/dbraw/zinc/87/75/09/812877509.db2.gz XXPQXNFVORGERC-GXTWGEPZSA-N 1 0 265.353 1.591 20 10 CDCDRO C[C@@H](CC(=O)NCCc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000237447012 812998927 /nfs/dbraw/zinc/99/89/27/812998927.db2.gz QOWVEISVJWVWHU-ZFWWWQNUSA-N 1 0 289.423 1.953 20 10 CDCDRO CCCCNC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182360280 813069774 /nfs/dbraw/zinc/06/97/74/813069774.db2.gz DZLRPBLOIJSUKR-LLVKDONJSA-N 1 0 280.368 1.968 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841986523 813214221 /nfs/dbraw/zinc/21/42/21/813214221.db2.gz UAVRONOWVTXRMV-LLVKDONJSA-N 1 0 264.373 1.241 20 10 CDCDRO CC(C)(CN1CCOCC1)[NH2+]Cc1ccccc1O ZINC000308639345 813216431 /nfs/dbraw/zinc/21/64/31/813216431.db2.gz JKULFDNGXJVGLQ-UHFFFAOYSA-N 1 0 264.369 1.593 20 10 CDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825283967 813288726 /nfs/dbraw/zinc/28/87/26/813288726.db2.gz BODMEDLXZBWSFV-APPZFPTMSA-N 1 0 286.734 1.928 20 10 CDCDRO COc1c(O)c(CN2CC[NH2+]CC2(C)C)ccc1[N+](=O)[O-] ZINC000843054079 813301267 /nfs/dbraw/zinc/30/12/67/813301267.db2.gz CTOMCGQVKXHBDB-UHFFFAOYSA-N 1 0 295.339 1.493 20 10 CDCDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876794771 813351657 /nfs/dbraw/zinc/35/16/57/813351657.db2.gz DWNBMIQQYOZCSZ-CQSZACIVSA-N 1 0 267.300 1.788 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000817940808 813619538 /nfs/dbraw/zinc/61/95/38/813619538.db2.gz KWOZKUNORLGQMU-NSHDSACASA-N 1 0 292.379 1.829 20 10 CDCDRO Cn1cc(/C=C\C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cn1 ZINC000818019417 813842117 /nfs/dbraw/zinc/84/21/17/813842117.db2.gz DVWSNLOBTYBUMF-AFNCTOJWSA-N 1 0 282.347 1.350 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000877466428 813859777 /nfs/dbraw/zinc/85/97/77/813859777.db2.gz JNBSPXSYSYZADU-NWDGAFQWSA-N 1 0 251.326 1.282 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)c(O)c1 ZINC000886229744 813861082 /nfs/dbraw/zinc/86/10/82/813861082.db2.gz VFXURQLOBVLOCI-ZIAGYGMSSA-N 1 0 295.379 1.811 20 10 CDCDRO CCCN1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000827519399 813868393 /nfs/dbraw/zinc/86/83/93/813868393.db2.gz MKLWBEXELAUNOA-CYBMUJFWSA-N 1 0 294.395 1.983 20 10 CDCDRO Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(O)c1O ZINC000838147196 813889859 /nfs/dbraw/zinc/88/98/59/813889859.db2.gz ONODLDIRGDMUND-GFCCVEGCSA-N 1 0 292.379 1.868 20 10 CDCDRO COCCO[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877460519 814022252 /nfs/dbraw/zinc/02/22/52/814022252.db2.gz UHOQGCRWPQXOMO-CYBMUJFWSA-N 1 0 265.353 1.938 20 10 CDCDRO COc1cc(C[NH2+][C@@H]2COC[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000865666460 814038764 /nfs/dbraw/zinc/03/87/64/814038764.db2.gz PDURVFWIKVBDDH-KGLIPLIRSA-N 1 0 295.379 1.548 20 10 CDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000776253582 814068618 /nfs/dbraw/zinc/06/86/18/814068618.db2.gz YFTJGWGGUBGESR-QWHCGFSZSA-N 1 0 278.352 1.405 20 10 CDCDRO CCOCCOCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922942380 814075968 /nfs/dbraw/zinc/07/59/68/814075968.db2.gz WXLRWJSFZIDKDI-UHFFFAOYSA-N 1 0 283.324 1.264 20 10 CDCDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000854654196 814248697 /nfs/dbraw/zinc/24/86/97/814248697.db2.gz JKLVQQVVSKXKNL-BVKQBWKVSA-N 1 0 290.363 1.662 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C[NH3+] ZINC000054341027 814260157 /nfs/dbraw/zinc/26/01/57/814260157.db2.gz NYMDBURINMFVDR-LBPRGKRZSA-N 1 0 263.385 1.696 20 10 CDCDRO O=C1NCCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000036977319 814305169 /nfs/dbraw/zinc/30/51/69/814305169.db2.gz SARAVZZLRAVEEK-NSHDSACASA-N 1 0 268.744 1.804 20 10 CDCDRO COc1nccc(C[NH2+]Cc2cc(C)ccc2O)n1 ZINC000824548921 814307544 /nfs/dbraw/zinc/30/75/44/814307544.db2.gz QJWWKCDDQWGTIR-UHFFFAOYSA-N 1 0 259.309 1.789 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCNC2=O)c1 ZINC000808743442 814335448 /nfs/dbraw/zinc/33/54/48/814335448.db2.gz CUBRPPLQRCDYJJ-JTQLQIEISA-N 1 0 279.340 1.077 20 10 CDCDRO CO[C@]1(C[N@H+](C)Cc2ccc(N(C)C)cc2)CCOC1 ZINC000876511741 814349492 /nfs/dbraw/zinc/34/94/92/814349492.db2.gz UNUOCFJJGCJSEC-INIZCTEOSA-N 1 0 278.396 1.990 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CCOC)cc1 ZINC000884194059 814369057 /nfs/dbraw/zinc/36/90/57/814369057.db2.gz YDTXIQBKLOBXFN-OAHLLOKOSA-N 1 0 293.411 1.513 20 10 CDCDRO CC[NH+]1CCC(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841638703 814560037 /nfs/dbraw/zinc/56/00/37/814560037.db2.gz XCZRRWCAAKLQBE-UHFFFAOYSA-N 1 0 290.411 1.595 20 10 CDCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877659905 814611069 /nfs/dbraw/zinc/61/10/69/814611069.db2.gz GNPPEBYBEWDNEP-CZIWCDLHSA-N 1 0 290.407 1.915 20 10 CDCDRO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877587429 814632500 /nfs/dbraw/zinc/63/25/00/814632500.db2.gz LAGRROKUMCOAEY-ZDUSSCGKSA-N 1 0 292.379 1.237 20 10 CDCDRO CC[C@@H](OC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280312 814654369 /nfs/dbraw/zinc/65/43/69/814654369.db2.gz OSXLLSDTCDKJQY-ZIAGYGMSSA-N 1 0 279.384 1.294 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)C1(C[NH+](C)C)CC1 ZINC000820879063 814721767 /nfs/dbraw/zinc/72/17/67/814721767.db2.gz OMNRMPBRQMOSLL-UHFFFAOYSA-N 1 0 262.353 1.692 20 10 CDCDRO CCC[NH2+]CCNC(=O)NCc1cccc(OC)c1O ZINC000841965053 814742257 /nfs/dbraw/zinc/74/22/57/814742257.db2.gz MVVDFBPUPWREPE-UHFFFAOYSA-N 1 0 281.356 1.200 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000824710046 814746522 /nfs/dbraw/zinc/74/65/22/814746522.db2.gz VPZSAPCILGULFA-BONVTDFDSA-N 1 0 295.335 1.262 20 10 CDCDRO CCOCCOCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000787239365 814762181 /nfs/dbraw/zinc/76/21/81/814762181.db2.gz NVOJZOBZOBQGPR-UHFFFAOYSA-N 1 0 297.351 1.606 20 10 CDCDRO CC[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCNC1=O ZINC000799737319 816763929 /nfs/dbraw/zinc/76/39/29/816763929.db2.gz BCOGNXLNEBXNDB-NSHDSACASA-N 1 0 268.744 1.756 20 10 CDCDRO CCOCCOC[C@@H](O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000791007468 816766624 /nfs/dbraw/zinc/76/66/24/816766624.db2.gz WZWRFLGRACDCFK-HNNXBMFYSA-N 1 0 297.395 1.513 20 10 CDCDRO COc1cc(C[NH2+]CCOCCO)c(O)c(C(C)(C)C)c1 ZINC000850010204 816816857 /nfs/dbraw/zinc/81/68/57/816816857.db2.gz FKPSUXAZVKMXJF-UHFFFAOYSA-N 1 0 297.395 1.797 20 10 CDCDRO Nc1ccc(OCc2cn(CCCCCC[NH3+])nn2)cc1 ZINC000864623433 816824212 /nfs/dbraw/zinc/82/42/12/816824212.db2.gz UFYWPPBYQUPWBA-UHFFFAOYSA-N 1 0 289.383 1.958 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]2CO)c1O ZINC000934027827 816854904 /nfs/dbraw/zinc/85/49/04/816854904.db2.gz RZSPQNCKHXBNSO-NSHDSACASA-N 1 0 269.728 1.815 20 10 CDCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000830865546 816861343 /nfs/dbraw/zinc/86/13/43/816861343.db2.gz NYVJCDMIACWOTR-HIFRSBDPSA-N 1 0 292.379 1.108 20 10 CDCDRO Cc1cc(Cn2cc(COCC[NH3+])nn2)ccc1N(C)C ZINC000881377205 816868448 /nfs/dbraw/zinc/86/84/48/816868448.db2.gz IJRQLQCSRRHEPT-UHFFFAOYSA-N 1 0 289.383 1.176 20 10 CDCDRO CCc1cccc(C[NH+]2CCC(OCCO)CC2)c1O ZINC000848891285 816874118 /nfs/dbraw/zinc/87/41/18/816874118.db2.gz YPDSZOWFUUIJQY-UHFFFAOYSA-N 1 0 279.380 1.928 20 10 CDCDRO CC[C@@H](CCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000094948829 816886698 /nfs/dbraw/zinc/88/66/98/816886698.db2.gz QUYKXEIJXHYWBL-JTQLQIEISA-N 1 0 267.325 1.619 20 10 CDCDRO CC[C@@H]([NH2+]C1(C(=O)NCCOC)CC1)c1ccccc1O ZINC000839193589 816888858 /nfs/dbraw/zinc/88/88/58/816888858.db2.gz TWHGRBNRHHYNNJ-CYBMUJFWSA-N 1 0 292.379 1.728 20 10 CDCDRO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000827725945 816890897 /nfs/dbraw/zinc/89/08/97/816890897.db2.gz QPAVGMUXAKTLNZ-QWHCGFSZSA-N 1 0 291.395 1.295 20 10 CDCDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1C ZINC000817944255 816905698 /nfs/dbraw/zinc/90/56/98/816905698.db2.gz YNQMTKDYVOHDKG-DOMZBBRYSA-N 1 0 287.411 1.837 20 10 CDCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C(N)=O ZINC000182412368 816937309 /nfs/dbraw/zinc/93/73/09/816937309.db2.gz MHMHTFQSGZDDRP-KWQFWETISA-N 1 0 252.314 1.315 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000825338145 816994267 /nfs/dbraw/zinc/99/42/67/816994267.db2.gz MLVNHNDWGZAAKM-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO CSCC[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000832658895 817004541 /nfs/dbraw/zinc/00/45/41/817004541.db2.gz GKQGLRZDVFLDNH-GFCCVEGCSA-N 1 0 267.398 1.008 20 10 CDCDRO Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000870967973 817174198 /nfs/dbraw/zinc/17/41/98/817174198.db2.gz GCYDUFCUMQGDFP-OKILXGFUSA-N 1 0 298.390 1.956 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834697984 817292249 /nfs/dbraw/zinc/29/22/49/817292249.db2.gz SNWLPWCCYAABQT-FRRDWIJNSA-N 1 0 274.364 1.884 20 10 CDCDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C(=O)NC ZINC000825316976 817337158 /nfs/dbraw/zinc/33/71/58/817337158.db2.gz ZVOPFJXLQCIOMD-JTQLQIEISA-N 1 0 282.340 1.024 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000842752538 817338719 /nfs/dbraw/zinc/33/87/19/817338719.db2.gz OLFSIHHUZINUTN-TZMCWYRMSA-N 1 0 268.332 1.395 20 10 CDCDRO C[NH2+]CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000841915111 817387864 /nfs/dbraw/zinc/38/78/64/817387864.db2.gz MUUWDOKISBCTGY-UHFFFAOYSA-N 1 0 291.395 1.680 20 10 CDCDRO C[C@H](CNC(=O)c1cccc(O)c1O)[NH+]1CCC(C)CC1 ZINC000187033442 817432933 /nfs/dbraw/zinc/43/29/33/817432933.db2.gz RRMHZCRSNOEPGM-GFCCVEGCSA-N 1 0 292.379 1.948 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000848431540 817615719 /nfs/dbraw/zinc/61/57/19/817615719.db2.gz XXWVXFPSSMOENE-STQMWFEESA-N 1 0 291.395 1.246 20 10 CDCDRO C[NH+](C)CCn1nccc1NC(=O)C1=CC(=O)CS1 ZINC000854665598 817638564 /nfs/dbraw/zinc/63/85/64/817638564.db2.gz XHYRBHHUHXSUBW-UHFFFAOYSA-N 1 0 280.353 1.464 20 10 CDCDRO CC[C@@H]([NH2+]CCNCCOC)c1ccccc1O ZINC000817964791 817669532 /nfs/dbraw/zinc/66/95/32/817669532.db2.gz IYYCRTZDRMPIPG-CYBMUJFWSA-N 1 0 252.358 1.669 20 10 CDCDRO O=C(C[NH2+]Cc1ccc(Br)cc1O)NC1CC1 ZINC000701120226 817712362 /nfs/dbraw/zinc/71/23/62/817712362.db2.gz YMNPQFSQMNSQBX-UHFFFAOYSA-N 1 0 299.168 1.523 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000828667228 817728838 /nfs/dbraw/zinc/72/88/38/817728838.db2.gz OLERFVAYTUYVAG-SECBINFHSA-N 1 0 290.319 1.944 20 10 CDCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877607397 817741102 /nfs/dbraw/zinc/74/11/02/817741102.db2.gz AFBYTGAUMAIYEL-STQMWFEESA-N 1 0 279.336 1.056 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000876581444 817806737 /nfs/dbraw/zinc/80/67/37/817806737.db2.gz JUGKKZXNUQCSJA-GFCCVEGCSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000183614256 817807749 /nfs/dbraw/zinc/80/77/49/817807749.db2.gz AEZPWROXGRCVSV-GHMZBOCLSA-N 1 0 260.337 1.806 20 10 CDCDRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccccc1O ZINC000827951974 817828237 /nfs/dbraw/zinc/82/82/37/817828237.db2.gz BDHGHTYHIAMDTO-LLVKDONJSA-N 1 0 262.353 1.911 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CC2CC(O)C2)cc1OC ZINC000191158525 817831574 /nfs/dbraw/zinc/83/15/74/817831574.db2.gz XVHBJSGXRPSCGT-UHFFFAOYSA-N 1 0 281.352 1.612 20 10 CDCDRO CN1CCO[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC000130561116 817835545 /nfs/dbraw/zinc/83/55/45/817835545.db2.gz VXPBDUQCCOZVSW-JSGCOSHPSA-N 1 0 282.771 1.560 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c(O)c1 ZINC000841983617 817925741 /nfs/dbraw/zinc/92/57/41/817925741.db2.gz DWFPIXJIZXZDKW-JQWIXIFHSA-N 1 0 293.367 1.341 20 10 CDCDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]CC2)c1 ZINC000843046182 817999613 /nfs/dbraw/zinc/99/96/13/817999613.db2.gz VIXPNIBSUJMCKG-UHFFFAOYSA-N 1 0 285.185 1.868 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CCCC[N@H+]2C)c1 ZINC001358405684 1167509013 /nfs/dbraw/zinc/50/90/13/1167509013.db2.gz BJOQRYRUJYRCMV-AWEZNQCLSA-N 1 0 291.395 1.984 20 10 CDCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001206221726 912996454 /nfs/dbraw/zinc/99/64/54/912996454.db2.gz ISVCFBMMTOPIMA-LLVKDONJSA-N 1 0 276.258 1.563 20 10 CDCDRO COC(=O)c1ccc(O)c(Nc2cc[nH+]cc2OC)c1 ZINC001211261066 895650845 /nfs/dbraw/zinc/65/08/45/895650845.db2.gz ZISKAYSQXZTHOP-UHFFFAOYSA-N 1 0 274.276 1.748 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C2CCS(=O)CC2)c1 ZINC000157926967 897541944 /nfs/dbraw/zinc/54/19/44/897541944.db2.gz PHQDAIUQWLBCEF-UHFFFAOYSA-N 1 0 253.367 1.701 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c1O ZINC001140741797 898158652 /nfs/dbraw/zinc/15/86/52/898158652.db2.gz CEIOSEURBYJPIF-ZWNOBZJWSA-N 1 0 265.353 1.999 20 10 CDCDRO Cc1cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)cc1Br ZINC001236019271 914543661 /nfs/dbraw/zinc/54/36/61/914543661.db2.gz BXSISZIPFJSQHV-ZWNOBZJWSA-N 1 0 297.196 1.996 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CCO1 ZINC001168079534 906744710 /nfs/dbraw/zinc/74/47/10/906744710.db2.gz PSHHFUKKCFHFOH-MWLCHTKSSA-N 1 0 267.325 1.503 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(=O)NC ZINC000697858393 909364812 /nfs/dbraw/zinc/36/48/12/909364812.db2.gz MIWBUCJWXUAPNU-LLVKDONJSA-N 1 0 252.314 1.015 20 10 CDCDRO CON(C)C(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922379612 921573745 /nfs/dbraw/zinc/57/37/45/921573745.db2.gz IEJFNXMHNLFCDB-UHFFFAOYSA-N 1 0 264.325 1.121 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2c(O)ccc(F)c2F)CC(F)(F)C1 ZINC001206139593 910827951 /nfs/dbraw/zinc/82/79/51/910827951.db2.gz LFFYSYVJOVDSLK-ZETCQYMHSA-N 1 0 278.249 1.839 20 10 CDCDRO CN1CC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000163887796 911333899 /nfs/dbraw/zinc/33/38/99/911333899.db2.gz VNCUTGCAGHONEO-LLVKDONJSA-N 1 0 285.185 1.948 20 10 CDCDRO CCOCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172411344 911639703 /nfs/dbraw/zinc/63/97/03/911639703.db2.gz ODAQEDKICMYVAO-SNVBAGLBSA-N 1 0 269.341 1.751 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001172596312 911762190 /nfs/dbraw/zinc/76/21/90/911762190.db2.gz YHPOKJIHOQPAEH-OLZOCXBDSA-N 1 0 293.363 1.962 20 10 CDCDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001172915230 912055424 /nfs/dbraw/zinc/05/54/24/912055424.db2.gz PHYAARISVWLGQV-LALPHHSUSA-N 1 0 281.352 1.678 20 10 CDCDRO c1cn(CC[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921483720 914939663 /nfs/dbraw/zinc/93/96/63/914939663.db2.gz UFUNVGUWQHXKRD-UHFFFAOYSA-N 1 0 257.337 1.998 20 10 CDCDRO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001179687056 915927758 /nfs/dbraw/zinc/92/77/58/915927758.db2.gz MBKXMEZUTAPOSW-FXMSTWTQSA-N 1 0 274.320 1.028 20 10 CDCDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179683169 915941757 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CCCN1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000389283193 936646319 /nfs/dbraw/zinc/64/63/19/936646319.db2.gz VDJLWWWDNFKEFT-GFCCVEGCSA-N 1 0 278.352 1.695 20 10 CDCDRO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055433 936674460 /nfs/dbraw/zinc/67/44/60/936674460.db2.gz XZTXXRDVKNYNLZ-NSHDSACASA-N 1 0 280.343 1.832 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1O ZINC001140181229 936685061 /nfs/dbraw/zinc/68/50/61/936685061.db2.gz QSPTZJOYRBIZHQ-VNQPRFMTSA-N 1 0 291.391 1.981 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1O ZINC001140462884 936712414 /nfs/dbraw/zinc/71/24/14/936712414.db2.gz NJMPQRJMFGGYBW-CMPLNLGQSA-N 1 0 271.744 1.221 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC001140617286 936731302 /nfs/dbraw/zinc/73/13/02/936731302.db2.gz KWLYBMCIPFKRPY-UHFFFAOYSA-N 1 0 290.407 1.997 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)c1O ZINC001140744397 936748771 /nfs/dbraw/zinc/74/87/71/936748771.db2.gz 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CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000858577395 928890135 /nfs/dbraw/zinc/89/01/35/928890135.db2.gz BSRZQIHKWSUBOV-ZJUUUORDSA-N 1 0 252.314 1.451 20 10 CDCDRO Cn1ncc(C[NH2+]CCCSc2nccs2)n1 ZINC000815124938 929941778 /nfs/dbraw/zinc/94/17/78/929941778.db2.gz OYJZGUXDMUUANY-UHFFFAOYSA-N 1 0 269.399 1.544 20 10 CDCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCC(O)CC2)cc1 ZINC000817941491 930638295 /nfs/dbraw/zinc/63/82/95/930638295.db2.gz JZRHWEDFISQYDF-BCLQGDPASA-N 1 0 277.412 1.646 20 10 CDCDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001153889436 937481025 /nfs/dbraw/zinc/48/10/25/937481025.db2.gz QKDRYLVMZXJMON-AWEZNQCLSA-N 1 0 292.379 1.834 20 10 CDCDRO CCOCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001154332447 937532630 /nfs/dbraw/zinc/53/26/30/937532630.db2.gz CGALKHJFPNFHBF-UHFFFAOYSA-N 1 0 294.395 1.636 20 10 CDCDRO C[C@@]1(CF)CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499870 931858312 /nfs/dbraw/zinc/85/83/12/931858312.db2.gz NCXUOKGWAGRSSA-ZDUSSCGKSA-N 1 0 255.289 1.985 20 10 CDCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499840 931858481 /nfs/dbraw/zinc/85/84/81/931858481.db2.gz LDKNPKNEVAIJMQ-ZJUUUORDSA-N 1 0 267.325 1.396 20 10 CDCDRO OCC[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144500093 931859030 /nfs/dbraw/zinc/85/90/30/931859030.db2.gz OSANFBFCCQMCTQ-UHFFFAOYSA-N 1 0 289.331 1.798 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001144500450 931860492 /nfs/dbraw/zinc/86/04/92/931860492.db2.gz UCVGBWBFJURQBX-MEBBXXQBSA-N 1 0 279.336 1.804 20 10 CDCDRO CCN(CC[NH+](CC)CC)Cc1c(O)cc(O)cc1O ZINC001144509132 931873879 /nfs/dbraw/zinc/87/38/79/931873879.db2.gz LUKPVLCWSUDLCQ-UHFFFAOYSA-N 1 0 282.384 1.967 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c(O)c1 ZINC001144509171 931874892 /nfs/dbraw/zinc/87/48/92/931874892.db2.gz NMDLBIXWVXLXGR-LBPRGKRZSA-N 1 0 292.379 1.864 20 10 CDCDRO CC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514592 931876907 /nfs/dbraw/zinc/87/69/07/931876907.db2.gz LKPBNRMMBSFPIU-JTQLQIEISA-N 1 0 265.309 1.604 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000846145099 931986549 /nfs/dbraw/zinc/98/65/49/931986549.db2.gz KHADGFDDTNDEBY-ZYHUDNBSSA-N 1 0 278.352 1.672 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC[N@@H+]1C ZINC000779526100 934594602 /nfs/dbraw/zinc/59/46/02/934594602.db2.gz VJNJURWILGXEGA-DMBZQDCGSA-N 1 0 290.363 1.710 20 10 CDCDRO CS(=O)(=O)N(c1ccc(N)cc1)c1cc[nH+]c(N)c1 ZINC001206561504 935939414 /nfs/dbraw/zinc/93/94/14/935939414.db2.gz IOMNPVUIWGXEMN-UHFFFAOYSA-N 1 0 278.337 1.344 20 10 CDCDRO Nc1ccc(CC(=O)NC2CC3(CC([NH3+])C3)C2)cc1 ZINC001122522366 937939398 /nfs/dbraw/zinc/93/93/98/937939398.db2.gz NXEKXRPBSKFROG-UHFFFAOYSA-N 1 0 259.353 1.197 20 10 CDCDRO CC[N@@H+]1C[C@H](NC(=O)C2=CC(=O)CS2)C(C)(C)C1 ZINC001156835618 938424392 /nfs/dbraw/zinc/42/43/92/938424392.db2.gz AAYFKKSCRHBNSX-NSHDSACASA-N 1 0 268.382 1.914 20 10 CDCDRO C[C@H]1[C@H](C[NH3+])CCCN1C(=O)Cc1ccc(N)cc1 ZINC001157848708 938555028 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COc1ccc(O)c(CN2CC[C@@](C)(O)[C@@H](F)C2)c1 ZINC001203670697 939700616 /nfs/dbraw/zinc/70/06/16/939700616.db2.gz WRCCYKHAZKJENA-UONOGXRCSA-N 1 0 269.316 1.696 20 10 CDCDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203883402 939711758 /nfs/dbraw/zinc/71/17/58/939711758.db2.gz KJXMPIYINHFGPN-LLVKDONJSA-N 1 0 265.309 1.483 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)cc1 ZINC001203931884 939714752 /nfs/dbraw/zinc/71/47/52/939714752.db2.gz XSJOQGXAWVOFEW-INIZCTEOSA-N 1 0 273.380 1.465 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204273083 939750357 /nfs/dbraw/zinc/75/03/57/939750357.db2.gz XFHABJLUBOOZLV-CQSZACIVSA-N 1 0 251.326 1.835 20 10 CDCDRO O[C@@H]1COCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204323157 939755830 /nfs/dbraw/zinc/75/58/30/939755830.db2.gz FKHQXNALJSETMF-INIZCTEOSA-N 1 0 276.380 1.480 20 10 CDCDRO COc1cc(C[N@H+](C)[C@H]2CCOC2)cc(O)c1O ZINC001204344838 939758447 /nfs/dbraw/zinc/75/84/47/939758447.db2.gz JKWCJKWMZJJBGP-JTQLQIEISA-N 1 0 253.298 1.327 20 10 CDCDRO [NH3+]CC1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001205041411 939817192 /nfs/dbraw/zinc/81/71/92/939817192.db2.gz UQAYKGPOJNVHKW-UHFFFAOYSA-N 1 0 256.296 1.841 20 10 CDCDRO Cc1cc(CN2C[C@@H]([NH3+])[C@H](O)C2)c(C)n1-c1ccccc1 ZINC001205351957 939883985 /nfs/dbraw/zinc/88/39/85/939883985.db2.gz AUDYTYDVNXJQEC-IAGOWNOFSA-N 1 0 285.391 1.598 20 10 CDCDRO Cn1ccc2c1ccnc2-c1cnn(CC[NH+](C)C)c1 ZINC001206310496 940015484 /nfs/dbraw/zinc/01/54/84/940015484.db2.gz QDQPIUKJIGPKIB-UHFFFAOYSA-N 1 0 269.352 1.998 20 10 CDCDRO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000179952938 940834211 /nfs/dbraw/zinc/83/42/11/940834211.db2.gz GZLLNDCGGIFQNB-CYBMUJFWSA-N 1 0 262.353 1.681 20 10 CDCDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(O)c(O)c1Cl ZINC001220894394 941483531 /nfs/dbraw/zinc/48/35/31/941483531.db2.gz DINBNNPQTZRXRA-ZETCQYMHSA-N 1 0 270.716 1.233 20 10 CDCDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c1O ZINC001277452370 942603673 /nfs/dbraw/zinc/60/36/73/942603673.db2.gz SRARWRQODQNBEZ-MLGOLLRUSA-N 1 0 290.363 1.311 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)c(O)cc2O)C[C@H]1C ZINC001231637947 942954461 /nfs/dbraw/zinc/95/44/61/942954461.db2.gz RIIQCAFEMNKWAL-LLVKDONJSA-N 1 0 280.368 1.632 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@]23CCOC3)c(O)cc1O ZINC001231639275 942956641 /nfs/dbraw/zinc/95/66/41/942956641.db2.gz HOHNRFCOUKLKCV-CQSZACIVSA-N 1 0 265.309 1.471 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)cc1Cl ZINC001231870592 943035897 /nfs/dbraw/zinc/03/58/97/943035897.db2.gz KXRMVHKBBFGORX-JQWIXIFHSA-N 1 0 294.782 1.922 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(NC(N)=O)CC2)c(O)c1 ZINC001232835072 943413266 /nfs/dbraw/zinc/41/32/66/943413266.db2.gz UQOYETRCWLSWFC-UHFFFAOYSA-N 1 0 292.383 1.091 20 10 CDCDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2O)C[C@H](C)N1C ZINC001232840197 943415432 /nfs/dbraw/zinc/41/54/32/943415432.db2.gz OZBZZNDEBJTLSD-BETUJISGSA-N 1 0 277.412 1.983 20 10 CDCDRO COC1(C)CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233011090 943461396 /nfs/dbraw/zinc/46/13/96/943461396.db2.gz YVCKXYBCTMOHHG-UHFFFAOYSA-N 1 0 267.325 1.804 20 10 CDCDRO CC(=O)[C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233016514 943464491 /nfs/dbraw/zinc/46/44/91/943464491.db2.gz GEPQRZCKXSRUTC-LLVKDONJSA-N 1 0 265.309 1.604 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1O ZINC001233483408 943592765 /nfs/dbraw/zinc/59/27/65/943592765.db2.gz YORWGVZAJKIESN-GXSJLCMTSA-N 1 0 267.325 1.396 20 10 CDCDRO CC(=O)[C@H]1CCCCN1Cc1cc(O)c(O)cc1O ZINC001233486637 943595854 /nfs/dbraw/zinc/59/58/54/943595854.db2.gz VZGFQYYBJIXYNE-LLVKDONJSA-N 1 0 265.309 1.747 20 10 CDCDRO COC(=O)Cc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235056244 944032082 /nfs/dbraw/zinc/03/20/82/944032082.db2.gz WTUMDJBXTVDREF-UONOGXRCSA-N 1 0 290.363 1.044 20 10 CDCDRO Oc1cc2ccccc2cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236289640 944447858 /nfs/dbraw/zinc/44/78/58/944447858.db2.gz IICXQLUTTZRCNA-LSDHHAIUSA-N 1 0 254.333 1.949 20 10 CDCDRO COC(=O)[C@@H]1CN(Cc2ccc(C(C)C)cc2O)C[C@@H]1[NH3+] ZINC001236347112 944479275 /nfs/dbraw/zinc/47/92/75/944479275.db2.gz AGIDYXIPSHQYPG-KGLIPLIRSA-N 1 0 292.379 1.448 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H](O)C2)cc1OC ZINC001236749333 944556543 /nfs/dbraw/zinc/55/65/43/944556543.db2.gz GNWNKTGCLVBPCF-LBPRGKRZSA-N 1 0 281.352 1.756 20 10 CDCDRO CCc1ccc(C[NH+]2CCN(c3ncncn3)CC2)c(O)c1 ZINC001236786873 944568213 /nfs/dbraw/zinc/56/82/13/944568213.db2.gz FCANCYUGUMEZHD-UHFFFAOYSA-N 1 0 299.378 1.462 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1cc(OC)cc(OC)c1O ZINC001236883608 944600358 /nfs/dbraw/zinc/60/03/58/944600358.db2.gz GVXOJDBSLIDAIB-NSHDSACASA-N 1 0 268.357 1.579 20 10 CDCDRO CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1c2ccccc2n(C)c1C ZINC001237160323 944668191 /nfs/dbraw/zinc/66/81/91/944668191.db2.gz PKPDSSNNUHJWON-IRXDYDNUSA-N 1 0 287.407 1.905 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)CNC(=O)CO2 ZINC001237493058 944814996 /nfs/dbraw/zinc/81/49/96/944814996.db2.gz VHIXANSRCRGQJB-UHFFFAOYSA-N 1 0 290.363 1.182 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c(OC)c1 ZINC001237675618 944920033 /nfs/dbraw/zinc/92/00/33/944920033.db2.gz YZKRFUFAZBSEHN-JQWIXIFHSA-N 1 0 281.352 1.612 20 10 CDCDRO COc1cc(CN(C)CC[NH+]2CCCC2)c(O)c(OC)c1 ZINC001237677609 944920477 /nfs/dbraw/zinc/92/04/77/944920477.db2.gz FNYBZZNSFZMQLG-UHFFFAOYSA-N 1 0 294.395 1.937 20 10 CDCDRO Cc1cc(F)cc(CN2CC[C@@H](O)[C@@H](F)C2)c1O ZINC001238065678 945048884 /nfs/dbraw/zinc/04/88/84/945048884.db2.gz YDAYTRILDZCYPF-NWDGAFQWSA-N 1 0 257.280 1.744 20 10 CDCDRO CC1(C)C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CCO1 ZINC001255523883 947962792 /nfs/dbraw/zinc/96/27/92/947962792.db2.gz LBUWEEMLPZVFGL-RISCZKNCSA-N 1 0 281.352 1.678 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(C)c2O)CN1 ZINC001246343947 948121357 /nfs/dbraw/zinc/12/13/57/948121357.db2.gz DEQYXSHGEPTUOO-STQMWFEESA-N 1 0 278.352 1.084 20 10 CDCDRO CCOC(=O)C[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001253798983 952123964 /nfs/dbraw/zinc/12/39/64/952123964.db2.gz JPLFANXBMWFPHZ-LBPRGKRZSA-N 1 0 279.336 1.064 20 10 CDCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308219386 956497419 /nfs/dbraw/zinc/49/74/19/956497419.db2.gz ZAFKVKLQRVTARZ-GFCCVEGCSA-N 1 0 293.386 1.992 20 10 CDCDRO COc1cc(C)c(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c(O)c1 ZINC001308858369 956588306 /nfs/dbraw/zinc/58/83/06/956588306.db2.gz CVRRSHKXESYLSZ-WBMJQRKESA-N 1 0 295.379 1.850 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1OC ZINC001321868629 959995519 /nfs/dbraw/zinc/99/55/19/959995519.db2.gz SDUINWVGTLBBMX-ZYHUDNBSSA-N 1 0 279.336 1.832 20 10 CDCDRO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(N)cc1 ZINC001337019268 960852054 /nfs/dbraw/zinc/85/20/54/960852054.db2.gz QTVHLLYFTRMGDA-UHFFFAOYSA-N 1 0 290.411 1.752 20 10 CDCDRO COCCC(=O)N1CCC([NH2+]Cc2ccc(N)cc2)CC1 ZINC001337838802 961458838 /nfs/dbraw/zinc/45/88/38/961458838.db2.gz UZSVXFRABMISFO-UHFFFAOYSA-N 1 0 291.395 1.386 20 10 CDCDRO C[C@H](CO)[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347223293 965427997 /nfs/dbraw/zinc/42/79/97/965427997.db2.gz XVINBZPYBGPAGN-CYBMUJFWSA-N 1 0 295.402 1.390 20 10 CDCDRO Nc1ccc(CCNC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001349361589 966327717 /nfs/dbraw/zinc/32/77/17/966327717.db2.gz CFEPDWWYNHPVEF-UHFFFAOYSA-N 1 0 295.386 1.887 20 10 CDCDRO C[C@@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)c1ccccc1O ZINC001349689053 966435236 /nfs/dbraw/zinc/43/52/36/966435236.db2.gz FYSMNGOGKKVLLN-SECBINFHSA-N 1 0 299.334 1.625 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3O)C[C@@H]2C1 ZINC001349939631 966535925 /nfs/dbraw/zinc/53/59/25/966535925.db2.gz WJROLRHIRXIXIL-IYBDPMFKSA-N 1 0 288.391 1.919 20 10 CDCDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N)cc1 ZINC001353539936 968057326 /nfs/dbraw/zinc/05/73/26/968057326.db2.gz QZWWAPMRJAQVNN-AWEZNQCLSA-N 1 0 276.384 1.504 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2(CO)COC(C)(C)OC2)cc1 ZINC000812838549 1163740052 /nfs/dbraw/zinc/74/00/52/1163740052.db2.gz QWQMBYSYIGBHEE-UHFFFAOYSA-N 1 0 294.395 1.356 20 10 CDCDRO CN(C)c1cc(F)c(CN(C)[C@H]2CC[NH2+]C2)cc1F ZINC001578422831 1171905286 /nfs/dbraw/zinc/90/52/86/1171905286.db2.gz IBFKEOXCMVUZIT-NSHDSACASA-N 1 0 269.339 1.825 20 10 CDCDRO CCCOc1ccc(C[NH2+]CCN(CC)CCO)c(O)c1 ZINC000274411639 365655582 /nfs/dbraw/zinc/65/55/82/365655582.db2.gz OUXDRNUUCDLKAL-UHFFFAOYSA-N 1 0 296.411 1.585 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000092764667 342418810 /nfs/dbraw/zinc/41/88/10/342418810.db2.gz QXUOXLWZAQPPJY-LLVKDONJSA-N 1 0 251.326 1.605 20 10 CDCDRO Cc1cccc(CN2CCn3cnnc3[C@@H]2C)c1O ZINC000276844758 366180703 /nfs/dbraw/zinc/18/07/03/366180703.db2.gz TWMDWOXFIGTHAQ-NSHDSACASA-N 1 0 258.325 1.869 20 10 CDCDRO Nc1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000035825533 356202116 /nfs/dbraw/zinc/20/21/16/356202116.db2.gz MRKCKHNFSSBPBD-UHFFFAOYSA-N 1 0 261.369 1.413 20 10 CDCDRO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571604 356420095 /nfs/dbraw/zinc/42/00/95/356420095.db2.gz SMGUKKMMOVYFQL-ZDUSSCGKSA-N 1 0 275.396 1.983 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N(C)C)c1 ZINC000037751860 356924817 /nfs/dbraw/zinc/92/48/17/356924817.db2.gz SLQXYFPUUZSARD-NSHDSACASA-N 1 0 250.342 1.830 20 10 CDCDRO Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1O ZINC000179637003 357216634 /nfs/dbraw/zinc/21/66/34/357216634.db2.gz RZFDAXJOTLFEAX-ZDUSSCGKSA-N 1 0 262.353 1.753 20 10 CDCDRO COCCN1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179641328 357218731 /nfs/dbraw/zinc/21/87/31/357218731.db2.gz WYIQPIGZNZOZFT-UHFFFAOYSA-N 1 0 280.368 1.165 20 10 CDCDRO NC(=O)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000180023645 357236865 /nfs/dbraw/zinc/23/68/65/357236865.db2.gz QEODUJISZVYJQY-UHFFFAOYSA-N 1 0 267.304 1.118 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000185802623 357578779 /nfs/dbraw/zinc/57/87/79/357578779.db2.gz UKXKOQKHHKBLMQ-WDEREUQCSA-N 1 0 278.352 1.700 20 10 CDCDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000193588511 290598571 /nfs/dbraw/zinc/59/85/71/290598571.db2.gz DRIVEPKQWPJAID-SMDDNHRTSA-N 1 0 261.369 1.367 20 10 CDCDRO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cccc(Cl)c1[O-] ZINC000188785594 357936751 /nfs/dbraw/zinc/93/67/51/357936751.db2.gz UDIHKEIHLODYRR-NWDGAFQWSA-N 1 0 299.754 1.544 20 10 CDCDRO COc1cccc(C[N@H+](C)CC2(O)CCOCC2)c1O ZINC000188843710 357944714 /nfs/dbraw/zinc/94/47/14/357944714.db2.gz FUVPNDOABZGLHN-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCNC(=O)CC1 ZINC000294858621 199217448 /nfs/dbraw/zinc/21/74/48/199217448.db2.gz CXVPIZLMWKCZSM-LBPRGKRZSA-N 1 0 262.353 1.740 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCCN(C(N)=O)CC2)cc1C ZINC000092754095 360283782 /nfs/dbraw/zinc/28/37/82/360283782.db2.gz XNHFZLRZPVRYLI-UHFFFAOYSA-N 1 0 277.368 1.595 20 10 CDCDRO CCNC(=O)[C@@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000293631119 370721941 /nfs/dbraw/zinc/72/19/41/370721941.db2.gz LKJKTCPXPSELOX-ZDUSSCGKSA-N 1 0 264.369 1.951 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1F ZINC000270012881 364423578 /nfs/dbraw/zinc/42/35/78/364423578.db2.gz UUKDPOXJTAYVCF-MRXNPFEDSA-N 1 0 296.386 1.913 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc(OC)c(OC)cc1O ZINC000271108743 364927603 /nfs/dbraw/zinc/92/76/03/364927603.db2.gz SSOGSIUDDBPQOL-UHFFFAOYSA-N 1 0 299.367 1.504 20 10 CDCDRO CCN(Cc1cc(OC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179562294 364993395 /nfs/dbraw/zinc/99/33/95/364993395.db2.gz CZSJHWJKKJUCCD-GFCCVEGCSA-N 1 0 299.392 1.410 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)c2cn[nH]c2)cc1OC ZINC000271799907 364999271 /nfs/dbraw/zinc/99/92/71/364999271.db2.gz INXWYIQQDZUZGT-VIFPVBQESA-N 1 0 277.324 1.983 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000168867799 365008544 /nfs/dbraw/zinc/00/85/44/365008544.db2.gz CRCXFTRKWGOHBI-LXIMFEHMSA-N 1 0 271.382 1.818 20 10 CDCDRO Cc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)c(O)c1O ZINC000273029116 365464400 /nfs/dbraw/zinc/46/44/00/365464400.db2.gz SLYYYYHVLSMXMF-UHFFFAOYSA-N 1 0 292.379 1.868 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1 ZINC000273396519 365491547 /nfs/dbraw/zinc/49/15/47/365491547.db2.gz LEPCIOCWSFOWGG-HUUCEWRRSA-N 1 0 275.396 1.886 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000273584271 365510740 /nfs/dbraw/zinc/51/07/40/365510740.db2.gz NIGJHMANOVRCLA-OLZOCXBDSA-N 1 0 294.395 1.772 20 10 CDCDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)c(O)c1 ZINC000282325743 367832385 /nfs/dbraw/zinc/83/23/85/367832385.db2.gz LHKBBMCIQJTIJJ-BXUZGUMPSA-N 1 0 292.379 1.938 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)NCCF)c1O ZINC000282780940 368036086 /nfs/dbraw/zinc/03/60/86/368036086.db2.gz VQDYSKFHUJEVQH-JTQLQIEISA-N 1 0 284.331 1.355 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)c1 ZINC000284438837 368520479 /nfs/dbraw/zinc/52/04/79/368520479.db2.gz SOVZHKZEOPJMBT-KBPBESRZSA-N 1 0 278.396 1.588 20 10 CDCDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC000294209468 370995685 /nfs/dbraw/zinc/99/56/85/370995685.db2.gz QMNWECLUBCDMBC-INIZCTEOSA-N 1 0 290.363 1.656 20 10 CDCDRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000272930045 371136001 /nfs/dbraw/zinc/13/60/01/371136001.db2.gz ZJUJCYZZLKMJMG-NEPJUHHUSA-N 1 0 298.408 1.467 20 10 CDCDRO NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC001580322725 1172402569 /nfs/dbraw/zinc/40/25/69/1172402569.db2.gz YOMAZXXTFLCPKS-LBPRGKRZSA-N 1 0 289.339 1.802 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CC(CC(N)=O)C2)cc1F ZINC000297428704 371990465 /nfs/dbraw/zinc/99/04/65/371990465.db2.gz OGDDTGHUYWZBKJ-UHFFFAOYSA-N 1 0 265.332 1.199 20 10 CDCDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000134230780 375619897 /nfs/dbraw/zinc/61/98/97/375619897.db2.gz REPUGCCIHDYZQO-WDEREUQCSA-N 1 0 250.342 1.785 20 10 CDCDRO O[C@H]1COCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000294887962 378654690 /nfs/dbraw/zinc/65/46/90/378654690.db2.gz WGSSGXMNWJVORO-QGZVFWFLSA-N 1 0 290.407 1.870 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000296088704 378717046 /nfs/dbraw/zinc/71/70/46/378717046.db2.gz XXWWHHCYQDGODP-IEBDPFPHSA-N 1 0 265.309 1.353 20 10 CDCDRO CC(C)(C[NH2+]Cc1ccc2c(c1)CCO2)OCCO ZINC000288375423 197062182 /nfs/dbraw/zinc/06/21/82/197062182.db2.gz FKYNAMLUBDBZCN-UHFFFAOYSA-N 1 0 265.353 1.499 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000282126087 285134194 /nfs/dbraw/zinc/13/41/94/285134194.db2.gz FZHNLLJXERETQA-ZDUSSCGKSA-N 1 0 252.358 1.240 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000119918641 390860701 /nfs/dbraw/zinc/86/07/01/390860701.db2.gz XNFFMKOOEDNWNP-LBPRGKRZSA-N 1 0 262.353 1.706 20 10 CDCDRO C[NH+](C)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000139415133 390944026 /nfs/dbraw/zinc/94/40/26/390944026.db2.gz PJNZRQVNEZWSBB-FNORWQNLSA-N 1 0 264.325 1.179 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1F ZINC000157123572 261140665 /nfs/dbraw/zinc/14/06/65/261140665.db2.gz DNWXSYXUHFZGIB-ZDUSSCGKSA-N 1 0 293.386 1.979 20 10 CDCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N1CCOCC1 ZINC000183547656 261979840 /nfs/dbraw/zinc/97/98/40/261979840.db2.gz FTHRPIQNRPSJDJ-TZMCWYRMSA-N 1 0 292.379 1.680 20 10 CDCDRO COC(=O)N1CC([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000186137843 262080867 /nfs/dbraw/zinc/08/08/67/262080867.db2.gz FSLVPMFMLRJFOT-MRVPVSSYSA-N 1 0 268.288 1.633 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CO)COC2)c1 ZINC000186146099 262082141 /nfs/dbraw/zinc/08/21/41/262082141.db2.gz SCSKEVNJIATUIE-NSHDSACASA-N 1 0 251.326 1.360 20 10 CDCDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186203154 262084608 /nfs/dbraw/zinc/08/46/08/262084608.db2.gz NHWORQDBNWOKHD-RYUDHWBXSA-N 1 0 253.342 1.749 20 10 CDCDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(O)c2O)C1 ZINC000186939537 262117472 /nfs/dbraw/zinc/11/74/72/262117472.db2.gz NTBMYUIPWUXVBO-LLVKDONJSA-N 1 0 278.352 1.560 20 10 CDCDRO COc1cccc(C[NH2+]CCNC(=O)C2CC2)c1O ZINC000134225157 264503025 /nfs/dbraw/zinc/50/30/25/264503025.db2.gz OGKFNAMPYPRAMB-UHFFFAOYSA-N 1 0 264.325 1.017 20 10 CDCDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(F)ccc1O)CCO2 ZINC000377274167 268062978 /nfs/dbraw/zinc/06/29/78/268062978.db2.gz WMDXVXKXJLEZRS-NHYWBVRUSA-N 1 0 281.327 1.911 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H](C)C[NH3+])c(C)n1-c1ccccn1 ZINC000237383130 301132951 /nfs/dbraw/zinc/13/29/51/301132951.db2.gz ZIGPNVVBSXTINF-NSHDSACASA-N 1 0 286.379 1.814 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(O)CC2)cc1F ZINC000162251527 327694617 /nfs/dbraw/zinc/69/46/17/327694617.db2.gz IVJPEADDBBYEQF-UHFFFAOYSA-N 1 0 252.333 1.848 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+]3CCC2CC3)cc1OC ZINC000377617697 329020660 /nfs/dbraw/zinc/02/06/60/329020660.db2.gz BEENFJMGBLOYKB-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1 ZINC000377724627 329027079 /nfs/dbraw/zinc/02/70/79/329027079.db2.gz OYMFGTGIFXSMQJ-AWEZNQCLSA-N 1 0 286.379 1.803 20 10 CDCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000122754575 329553851 /nfs/dbraw/zinc/55/38/51/329553851.db2.gz FPOOSGTWBWQBEB-ZMZPIMSZSA-N 1 0 267.394 1.868 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000188468669 520215537 /nfs/dbraw/zinc/21/55/37/520215537.db2.gz DFESZYBBRXTLNQ-JTQLQIEISA-N 1 0 266.341 1.357 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cc1F ZINC000236912047 520900838 /nfs/dbraw/zinc/90/08/38/520900838.db2.gz JQPUKDDYBOEOCB-CYBMUJFWSA-N 1 0 293.386 1.898 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCN2CCCOCC2)c1 ZINC000289419742 521152842 /nfs/dbraw/zinc/15/28/42/521152842.db2.gz IZIMKFYVUPULGZ-UHFFFAOYSA-N 1 0 294.395 1.603 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H](C)OC ZINC000291139657 521295850 /nfs/dbraw/zinc/29/58/50/521295850.db2.gz OXBVXHFQNWSVTD-JTQLQIEISA-N 1 0 267.325 1.978 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000068800169 521366215 /nfs/dbraw/zinc/36/62/15/521366215.db2.gz FAGDUGHSUJFAEC-AWEZNQCLSA-N 1 0 293.411 1.126 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCCO1 ZINC000278784943 522360345 /nfs/dbraw/zinc/36/03/45/522360345.db2.gz ZQBGMNAXIKVBSP-YPMHNXCESA-N 1 0 295.335 1.405 20 10 CDCDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000279347687 522748098 /nfs/dbraw/zinc/74/80/98/522748098.db2.gz FXOYMJGXNCWNFZ-JSGCOSHPSA-N 1 0 269.316 1.815 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1OC ZINC000234856834 523737839 /nfs/dbraw/zinc/73/78/39/523737839.db2.gz WASQUQLICCRUOG-BETUJISGSA-N 1 0 271.744 1.891 20 10 CDCDRO COc1ccc(N2CCN(C(=O)CCC[NH3+])CC2)cc1F ZINC000237280299 524409145 /nfs/dbraw/zinc/40/91/45/524409145.db2.gz CQUFBALRBAJYRV-UHFFFAOYSA-N 1 0 295.358 1.222 20 10 CDCDRO Cc1cccc(C[NH2+][C@@]2(CCO)CCOC2)c1O ZINC000278766180 524438241 /nfs/dbraw/zinc/43/82/41/524438241.db2.gz UFFPUFLZUHDFQT-AWEZNQCLSA-N 1 0 251.326 1.332 20 10 CDCDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1O ZINC000263686825 524470116 /nfs/dbraw/zinc/47/01/16/524470116.db2.gz FVBSUFFARIHPLV-NSHDSACASA-N 1 0 265.357 1.532 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291375097 524738367 /nfs/dbraw/zinc/73/83/67/524738367.db2.gz ZSLLTRZKZBXIKU-NSHDSACASA-N 1 0 287.306 1.850 20 10 CDCDRO Nc1ccc(CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000037042439 527477150 /nfs/dbraw/zinc/47/71/50/527477150.db2.gz ICSVYMBYDLZPDR-UHFFFAOYSA-N 1 0 273.380 1.554 20 10 CDCDRO OC[C@H](C[NH2+]Cc1c(O)cccc1Cl)[C@H]1CCOC1 ZINC000280243372 527606623 /nfs/dbraw/zinc/60/66/23/527606623.db2.gz IKSOVFFLKVFQAG-QWRGUYRKSA-N 1 0 285.771 1.780 20 10 CDCDRO COc1ccc(N2CCN(C(=O)C(C)(C)C[NH3+])CC2)cc1 ZINC000044751315 536677065 /nfs/dbraw/zinc/67/70/65/536677065.db2.gz OZMLJMKIFAUTHW-UHFFFAOYSA-N 1 0 291.395 1.329 20 10 CDCDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1=CC(=O)CS1 ZINC000731878855 575068043 /nfs/dbraw/zinc/06/80/43/575068043.db2.gz OHORBSRHMORCDO-MWLCHTKSSA-N 1 0 282.365 1.047 20 10 CDCDRO CN1CCC(CCO)([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000771180307 575554998 /nfs/dbraw/zinc/55/49/98/575554998.db2.gz WFICVKUYQYSPSD-UHFFFAOYSA-N 1 0 282.359 1.468 20 10 CDCDRO CCOC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000771765630 575609089 /nfs/dbraw/zinc/60/90/89/575609089.db2.gz CMKLXXSKKLWXIT-ZUZCIYMTSA-N 1 0 297.351 1.366 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)c1 ZINC000765794797 576056293 /nfs/dbraw/zinc/05/62/93/576056293.db2.gz FQHMYQANNFTFEM-ZIAGYGMSSA-N 1 0 292.379 1.795 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000768140815 576259953 /nfs/dbraw/zinc/25/99/53/576259953.db2.gz LXLYBULLHJSFMK-UHFFFAOYSA-N 1 0 264.325 1.098 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)c(O)c1 ZINC000768215834 576264885 /nfs/dbraw/zinc/26/48/85/576264885.db2.gz NFTABLDLYCVYMM-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO CC[N@H+](CCOC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441235 576283581 /nfs/dbraw/zinc/28/35/81/576283581.db2.gz XLFQGRWVQNSLNP-ZDUSSCGKSA-N 1 0 267.325 1.286 20 10 CDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCOC1 ZINC000768448091 576284024 /nfs/dbraw/zinc/28/40/24/576284024.db2.gz BKRVGTSVDVJQNL-GWCFXTLKSA-N 1 0 265.309 1.039 20 10 CDCDRO CCOc1ccc(O)c(CN2CC[NH2+]C(C)(C)C2)c1 ZINC000769191708 576336823 /nfs/dbraw/zinc/33/68/23/576336823.db2.gz IOHAHBRJJAXDCN-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CCN2CCCC2=O)c(O)c1 ZINC000769391207 576351321 /nfs/dbraw/zinc/35/13/21/576351321.db2.gz ZZJZPXVNFVCXFG-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1O ZINC000769483545 576358160 /nfs/dbraw/zinc/35/81/60/576358160.db2.gz OHUFRCVQRGYRKS-ZFWWWQNUSA-N 1 0 292.379 1.306 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COCCO2)cc1C ZINC000742367589 576597944 /nfs/dbraw/zinc/59/79/44/576597944.db2.gz FIERKFFOUSMLDE-CYBMUJFWSA-N 1 0 251.326 1.514 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCN(C)C2)cc1C ZINC000762570249 576655117 /nfs/dbraw/zinc/65/51/17/576655117.db2.gz ZPGFBVYLVCVVNY-OAHLLOKOSA-N 1 0 264.369 1.165 20 10 CDCDRO CN(C)c1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC000762569260 576655339 /nfs/dbraw/zinc/65/53/39/576655339.db2.gz RKDXKVFAEUJXPM-HNNXBMFYSA-N 1 0 281.375 1.048 20 10 CDCDRO C[C@H](CC(N)=O)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756659288 576998953 /nfs/dbraw/zinc/99/89/53/576998953.db2.gz COIUSXHYBBFEKV-NQMVMOMDSA-N 1 0 266.316 1.933 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)COC2)c(O)c1C ZINC000756761683 577003183 /nfs/dbraw/zinc/00/31/83/577003183.db2.gz RBOZBLPJVGAJKX-GFCCVEGCSA-N 1 0 265.353 1.669 20 10 CDCDRO CN(C)C(=O)NCC[N@H+](C)Cc1cc(F)ccc1O ZINC000757865584 577058589 /nfs/dbraw/zinc/05/85/89/577058589.db2.gz NECBKSBZRJTAPG-UHFFFAOYSA-N 1 0 269.320 1.234 20 10 CDCDRO C[C@@H](NC(=O)NCC(C)(C)[NH3+])c1ccccc1O ZINC000892035020 617428291 /nfs/dbraw/zinc/42/82/91/617428291.db2.gz ZPFFZPFIKBXCRG-SECBINFHSA-N 1 0 251.330 1.490 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891566926 617481616 /nfs/dbraw/zinc/48/16/16/617481616.db2.gz UKLICIKERWUURP-XBXGTLAGSA-N 1 0 290.411 1.598 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)Cn2cccn2)c(O)c1OC ZINC000892552730 617498795 /nfs/dbraw/zinc/49/87/95/617498795.db2.gz BBMCAKMPEWOQIS-LLVKDONJSA-N 1 0 291.351 1.784 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CN1CCOCC1 ZINC000892580804 617517516 /nfs/dbraw/zinc/51/75/16/617517516.db2.gz NLAGIKLYDZGWSU-CYBMUJFWSA-N 1 0 264.369 1.511 20 10 CDCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000892168518 617522008 /nfs/dbraw/zinc/52/20/08/617522008.db2.gz FBKIVRBOHZGKCZ-JQWIXIFHSA-N 1 0 275.352 1.545 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892655396 617564190 /nfs/dbraw/zinc/56/41/90/617564190.db2.gz VYLGPMZLAJIDSL-UHFFFAOYSA-N 1 0 296.367 1.415 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1O ZINC000892266612 617613329 /nfs/dbraw/zinc/61/33/29/617613329.db2.gz CYVJZWLSGVLNJG-FZMZJTMJSA-N 1 0 289.379 1.895 20 10 CDCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCCS(=O)(=O)C1 ZINC000894044777 618290534 /nfs/dbraw/zinc/29/05/34/618290534.db2.gz CESGCTLURVCGMY-OAHLLOKOSA-N 1 0 296.436 1.939 20 10 CDCDRO COc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c(O)c1OC ZINC000894118102 618470175 /nfs/dbraw/zinc/47/01/75/618470175.db2.gz LDGSBUCIKCKOQY-MEBBXXQBSA-N 1 0 297.351 1.039 20 10 CDCDRO CCOc1ccc(O)c(CNC[C@]2(COC)CCC[NH2+]2)c1 ZINC000841067260 618679881 /nfs/dbraw/zinc/67/98/81/618679881.db2.gz MBOWNEPWQFMRQQ-INIZCTEOSA-N 1 0 294.395 1.649 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1O ZINC000894500943 618926987 /nfs/dbraw/zinc/92/69/87/618926987.db2.gz SLHLMUYVVNAJIR-GXFFZTMASA-N 1 0 292.379 1.795 20 10 CDCDRO COc1cc(C)cc(CN(C)CC[NH+](C)C)c1O ZINC000894764519 619051187 /nfs/dbraw/zinc/05/11/87/619051187.db2.gz VPSWLRLOZAZXGV-UHFFFAOYSA-N 1 0 252.358 1.703 20 10 CDCDRO Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C)c(C)n1-c1ccccn1 ZINC000928570493 619413779 /nfs/dbraw/zinc/41/37/79/619413779.db2.gz ULEBCXXNWUZDSH-AWEZNQCLSA-N 1 0 298.390 1.923 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC000897679384 621066048 /nfs/dbraw/zinc/06/60/48/621066048.db2.gz JUAXSUKOIDRTFR-QPUJVOFHSA-N 1 0 286.169 1.967 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2OC)c1O ZINC000903297820 625955045 /nfs/dbraw/zinc/95/50/45/625955045.db2.gz YGUHEDDQZQIDON-RAIGVLPGSA-N 1 0 281.352 1.855 20 10 CDCDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000907059066 627513675 /nfs/dbraw/zinc/51/36/75/627513675.db2.gz FLMJYCUAURHPCC-ZDUSSCGKSA-N 1 0 292.379 1.836 20 10 CDCDRO Nc1ccc(NC(=O)C2=NOC3(C2)CC[NH2+]CC3)cc1 ZINC000911659818 629380212 /nfs/dbraw/zinc/38/02/12/629380212.db2.gz DZWISTWBDDCPEI-UHFFFAOYSA-N 1 0 274.324 1.106 20 10 CDCDRO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000788044878 631749945 /nfs/dbraw/zinc/74/99/45/631749945.db2.gz QZBIQMXDASGCQE-LBPRGKRZSA-N 1 0 288.391 1.981 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000154125746 632051960 /nfs/dbraw/zinc/05/19/60/632051960.db2.gz QZCNBXSOEXZMDK-CYBMUJFWSA-N 1 0 298.408 1.214 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000092953818 1158789187 /nfs/dbraw/zinc/78/91/87/1158789187.db2.gz BANZFHINKVVVQL-WFASDCNBSA-N 1 0 275.396 1.709 20 10 CDCDRO COc1ccc(CN2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000132270837 1159011785 /nfs/dbraw/zinc/01/17/85/1159011785.db2.gz YFJMXTCQHYUQEH-UHFFFAOYSA-N 1 0 264.369 1.927 20 10 CDCDRO C[n+]1cccc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170320453 1162336989 /nfs/dbraw/zinc/33/69/89/1162336989.db2.gz BADIIFAJIQRSID-UHFFFAOYSA-O 1 0 259.285 1.217 20 10 CDCDRO Oc1cc(O)c(CC[NH2+][C@H]2CCCOCC2)cc1O ZINC001170777344 1164110554 /nfs/dbraw/zinc/11/05/54/1164110554.db2.gz XMOOSSZBVTYMBT-NSHDSACASA-N 1 0 267.325 1.505 20 10 CDCDRO Nc1ccc(OCc2cn(CCCC[NH3+])nn2)cc1 ZINC000864623776 1164565787 /nfs/dbraw/zinc/56/57/87/1164565787.db2.gz ZXTPLBFDRZBORD-UHFFFAOYSA-N 1 0 261.329 1.178 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876713829 1165899431 /nfs/dbraw/zinc/89/94/31/1165899431.db2.gz UJCBKEBFFHXGJF-KGLIPLIRSA-N 1 0 275.396 1.742 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)N1CCO[C@@H](C)C1)c1ccccc1O ZINC000879647613 1166390496 /nfs/dbraw/zinc/39/04/96/1166390496.db2.gz GDOQPVCURCIREY-NWDGAFQWSA-N 1 0 278.352 1.290 20 10 CDCDRO Nc1ncc(C[N@@H+]2CCc3cccc(O)c3C2)cn1 ZINC001138167682 1167034604 /nfs/dbraw/zinc/03/46/04/1167034604.db2.gz CPWAVBPKSXODDS-UHFFFAOYSA-N 1 0 256.309 1.323 20 10 CDCDRO CC1(NCc2cc(Br)cc(F)c2[O-])C[NH2+]C1 ZINC001576545333 1171451474 /nfs/dbraw/zinc/45/14/74/1171451474.db2.gz KAMPXXIXVSGFLS-UHFFFAOYSA-N 1 0 289.148 1.745 20 10 CDCDRO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001578221542 1171837983 /nfs/dbraw/zinc/83/79/83/1171837983.db2.gz CVPLSTGGYTXJBY-OAHLLOKOSA-N 1 0 275.396 1.983 20 10 CDCDRO Cc1cc(NCC[NH2+]Cc2ccc(N)cc2)n2ncnc2n1 ZINC001579635947 1172230806 /nfs/dbraw/zinc/23/08/06/1172230806.db2.gz OXPWSUPAELTKEV-UHFFFAOYSA-N 1 0 297.366 1.217 20 10 CDCDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001580175914 1172369082 /nfs/dbraw/zinc/36/90/82/1172369082.db2.gz JTTNVVUOIDWYMA-JHJVBQTASA-N 1 0 290.363 1.226 20 10 CDCDRO NC(=O)N=Nc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1 ZINC001580245485 1172382309 /nfs/dbraw/zinc/38/23/09/1172382309.db2.gz XTWBLNFBTNJVDC-UHFFFAOYSA-N 1 0 289.339 1.850 20 10 CDCDRO COC(=O)[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000793187419 818024456 /nfs/dbraw/zinc/02/44/56/818024456.db2.gz RXDDIQNDGZCTPP-ZDUSSCGKSA-N 1 0 291.395 1.090 20 10 CDCDRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccccc1O ZINC000866830556 818042564 /nfs/dbraw/zinc/04/25/64/818042564.db2.gz ULNLHQXVXYQDIK-UHFFFAOYSA-N 1 0 298.408 1.298 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2([NH3+])CCCC2)cc1F ZINC000237081675 818064334 /nfs/dbraw/zinc/06/43/34/818064334.db2.gz AFDMRCAERQZLIT-UHFFFAOYSA-N 1 0 279.359 1.779 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000886573973 818210296 /nfs/dbraw/zinc/21/02/96/818210296.db2.gz GQUHOYSNXJGWGE-IMJJTQAJSA-N 1 0 260.381 1.955 20 10 CDCDRO COc1ccc(C[NH2+]C[C@H]2COC(C)(C)O2)c(O)c1 ZINC000230204850 818216153 /nfs/dbraw/zinc/21/61/53/818216153.db2.gz BBCYNXANLPKTGK-LBPRGKRZSA-N 1 0 267.325 1.642 20 10 CDCDRO O=S1(=O)CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000069141947 818263060 /nfs/dbraw/zinc/26/30/60/818263060.db2.gz YHUKLQCKSXWIEZ-LLVKDONJSA-N 1 0 255.339 1.059 20 10 CDCDRO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000775396959 818275914 /nfs/dbraw/zinc/27/59/14/818275914.db2.gz YZCJGNYTJJBBAG-ZDUSSCGKSA-N 1 0 298.452 1.974 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](C)O ZINC000824921094 818337415 /nfs/dbraw/zinc/33/74/15/818337415.db2.gz FEFOYLJDACFGGF-MWLCHTKSSA-N 1 0 269.341 1.658 20 10 CDCDRO CCOc1ccc(O)c(CN[C@@H](CC[NH3+])C(F)F)c1 ZINC000841073950 818358003 /nfs/dbraw/zinc/35/80/03/818358003.db2.gz KJIFGAGSOCRXHX-NSHDSACASA-N 1 0 274.311 1.863 20 10 CDCDRO CCc1cccc(C[NH2+]CCNC(=O)c2ccn[nH]2)c1O ZINC000848902566 818642736 /nfs/dbraw/zinc/64/27/36/818642736.db2.gz PMCKWFWZZWCPIJ-UHFFFAOYSA-N 1 0 288.351 1.197 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1 ZINC000782388022 818645689 /nfs/dbraw/zinc/64/56/89/818645689.db2.gz DOASGRIZZQONLW-MRXNPFEDSA-N 1 0 278.396 1.630 20 10 CDCDRO COc1cc(Cl)cc(CN(C)[C@H](C)C[NH3+])c1O ZINC000382999497 818746510 /nfs/dbraw/zinc/74/65/10/818746510.db2.gz PHCYEHFGQZHSIT-MRVPVSSYSA-N 1 0 258.749 1.833 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000844186001 818756544 /nfs/dbraw/zinc/75/65/44/818756544.db2.gz CPXFKVXMDHERHY-BETUJISGSA-N 1 0 261.369 1.415 20 10 CDCDRO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1O ZINC000840975181 818769844 /nfs/dbraw/zinc/76/98/44/818769844.db2.gz MDWWUYHRVGHJKJ-MFKMUULPSA-N 1 0 271.744 1.221 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCNC(=O)C[C@H]1C ZINC000840945714 818875171 /nfs/dbraw/zinc/87/51/71/818875171.db2.gz WHAGWCFYXZXTSE-CYBMUJFWSA-N 1 0 275.396 1.771 20 10 CDCDRO Cn1cc(/C=C\C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cn1 ZINC000818019418 818880482 /nfs/dbraw/zinc/88/04/82/818880482.db2.gz DVWSNLOBTYBUMF-LMVHVUTASA-N 1 0 282.347 1.350 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858161723 818906433 /nfs/dbraw/zinc/90/64/33/818906433.db2.gz DIFAQPMYQRVZAF-OTYXRUKQSA-N 1 0 297.349 1.645 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000827340519 818915691 /nfs/dbraw/zinc/91/56/91/818915691.db2.gz DXQFSNSCRANDSO-KGLIPLIRSA-N 1 0 261.369 1.496 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000704317254 818953754 /nfs/dbraw/zinc/95/37/54/818953754.db2.gz SYTUICDHDWIFBQ-ZDUSSCGKSA-N 1 0 262.353 1.665 20 10 CDCDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccccc1O ZINC000789765772 819020288 /nfs/dbraw/zinc/02/02/88/819020288.db2.gz RPZZMCBAQOISBT-UHFFFAOYSA-N 1 0 278.396 1.935 20 10 CDCDRO CCCCS(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842783714 819038311 /nfs/dbraw/zinc/03/83/11/819038311.db2.gz BPJYVXNJUVLOCM-AWEZNQCLSA-N 1 0 299.440 1.472 20 10 CDCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@]1(CO)CCOC1 ZINC000862426911 819049909 /nfs/dbraw/zinc/04/99/09/819049909.db2.gz PLLQWAIFJWXOFH-ZDUSSCGKSA-N 1 0 271.744 1.629 20 10 CDCDRO Fc1cc(C[NH2+][C@@H]2CCOC2)cc(F)c1N1CCOCC1 ZINC000839146714 819124589 /nfs/dbraw/zinc/12/45/89/819124589.db2.gz RWVHJCSSJJFKJP-GFCCVEGCSA-N 1 0 298.333 1.680 20 10 CDCDRO Cc1ccc(O)c(CNS(=O)(=O)CCC[NH+](C)C)c1 ZINC000867558746 819161979 /nfs/dbraw/zinc/16/19/79/819161979.db2.gz AQCJBGOCGHQBKD-UHFFFAOYSA-N 1 0 286.397 1.072 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000846092597 819181574 /nfs/dbraw/zinc/18/15/74/819181574.db2.gz GLIDGZKRBLVAFZ-ZDUSSCGKSA-N 1 0 274.364 1.580 20 10 CDCDRO [NH3+]CCN(CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000841059814 819201736 /nfs/dbraw/zinc/20/17/36/819201736.db2.gz XLKLURWNGXZBLV-UHFFFAOYSA-N 1 0 277.412 1.430 20 10 CDCDRO COC(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000884485019 819204010 /nfs/dbraw/zinc/20/40/10/819204010.db2.gz KETWKSQZAJXSSI-LBPRGKRZSA-N 1 0 294.351 1.640 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000876748726 819239785 /nfs/dbraw/zinc/23/97/85/819239785.db2.gz GYOYJBXGXBEPLI-LBPRGKRZSA-N 1 0 251.326 1.548 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1F ZINC000841759738 819242490 /nfs/dbraw/zinc/24/24/90/819242490.db2.gz HZXRAHXMTANPNV-UHFFFAOYSA-N 1 0 294.374 1.572 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000128095485 819297152 /nfs/dbraw/zinc/29/71/52/819297152.db2.gz YTJODJUYRQFZQA-RYUDHWBXSA-N 1 0 251.326 1.650 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCN(CCO)C(C)(C)C2)c1O ZINC000783715775 819302965 /nfs/dbraw/zinc/30/29/65/819302965.db2.gz WBTRFYRIUVVFND-UHFFFAOYSA-N 1 0 278.396 1.589 20 10 CDCDRO CCCN1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000389557562 819319790 /nfs/dbraw/zinc/31/97/90/819319790.db2.gz SGQMEKMGYUQJEQ-CYBMUJFWSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H](C)CN1CCOCC1 ZINC000921531949 819609105 /nfs/dbraw/zinc/60/91/05/819609105.db2.gz GUDBBEBBWOGJRA-GFCCVEGCSA-N 1 0 280.368 1.211 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000134493171 819674451 /nfs/dbraw/zinc/67/44/51/819674451.db2.gz ZTXDYQIXWWSLIX-JTQLQIEISA-N 1 0 280.368 1.794 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c1O ZINC000313235143 819706130 /nfs/dbraw/zinc/70/61/30/819706130.db2.gz TYQPEGWFSBBHLQ-ZYHUDNBSSA-N 1 0 299.392 1.456 20 10 CDCDRO COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+]C2)c1 ZINC000817944794 819752241 /nfs/dbraw/zinc/75/22/41/819752241.db2.gz MJYCFTBHWYCJGF-GXSJLCMTSA-N 1 0 264.325 1.191 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000814173036 819816303 /nfs/dbraw/zinc/81/63/03/819816303.db2.gz FJMAUDZMVAINPO-SMDDNHRTSA-N 1 0 262.353 1.537 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1F ZINC000825280216 819817842 /nfs/dbraw/zinc/81/78/42/819817842.db2.gz YWFMRRHLFRNHIC-NWDGAFQWSA-N 1 0 279.359 1.635 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000062894665 819823982 /nfs/dbraw/zinc/82/39/82/819823982.db2.gz BPVFIKJLLOSKCF-INIZCTEOSA-N 1 0 275.396 1.711 20 10 CDCDRO CC1(CNC(=O)NCCc2ccc(N)cc2)CC[NH2+]CC1 ZINC000841956227 819827093 /nfs/dbraw/zinc/82/70/93/819827093.db2.gz ZFTLSOMMZPOWDK-UHFFFAOYSA-N 1 0 290.411 1.500 20 10 CDCDRO OCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876579834 819834615 /nfs/dbraw/zinc/83/46/15/819834615.db2.gz MVAHVKUNRVPGTA-UHFFFAOYSA-N 1 0 290.407 1.604 20 10 CDCDRO OC[C@]12C[C@H]1C[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862336357 819850679 /nfs/dbraw/zinc/85/06/79/819850679.db2.gz FYMQMXLQJTVSMB-TVQRCGJNSA-N 1 0 298.180 1.969 20 10 CDCDRO Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c(O)c1O ZINC000854651952 819852625 /nfs/dbraw/zinc/85/26/25/819852625.db2.gz FHFORBAAPKESIM-PWSUYJOCSA-N 1 0 278.352 1.571 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCn2cccn2)c1O ZINC000846147241 819859068 /nfs/dbraw/zinc/85/90/68/819859068.db2.gz TWJGVYCNVYMXAM-LLVKDONJSA-N 1 0 261.325 1.948 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[NH3+])cc1 ZINC000826020649 820045705 /nfs/dbraw/zinc/04/57/05/820045705.db2.gz VQUCHHYJDOGOBC-LBPRGKRZSA-N 1 0 263.385 1.838 20 10 CDCDRO Cc1cc(Cn2cc([C@@H](C)[NH3+])nn2)ccc1N(C)C ZINC000881377478 820098564 /nfs/dbraw/zinc/09/85/64/820098564.db2.gz OGZKPDLYKLOBPB-LLVKDONJSA-N 1 0 259.357 1.721 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000841855311 820227565 /nfs/dbraw/zinc/22/75/65/820227565.db2.gz DHSBEEKQDSMZTH-LSDHHAIUSA-N 1 0 287.407 1.659 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnc3n2CCC3)c(O)c1 ZINC000719851808 820372890 /nfs/dbraw/zinc/37/28/90/820372890.db2.gz NUFPZKVFNJLMSG-UHFFFAOYSA-N 1 0 273.336 1.833 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000702575089 820384499 /nfs/dbraw/zinc/38/44/99/820384499.db2.gz VWCYAEMCJLBLRY-IAQYHMDHSA-N 1 0 280.368 1.118 20 10 CDCDRO CC(C)(C)[NH2+]CCNC(=O)c1c(F)ccc(O)c1O ZINC000788304968 820426557 /nfs/dbraw/zinc/42/65/57/820426557.db2.gz DIJMUQWDXGFCJA-UHFFFAOYSA-N 1 0 270.304 1.355 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000817418987 820485620 /nfs/dbraw/zinc/48/56/20/820485620.db2.gz NLTROEPUSRCSEE-ZDUSSCGKSA-N 1 0 286.383 1.234 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000840945724 820526834 /nfs/dbraw/zinc/52/68/34/820526834.db2.gz WHAGWCFYXZXTSE-ZDUSSCGKSA-N 1 0 275.396 1.771 20 10 CDCDRO C[C@H](NC(=O)CCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000237598941 820573430 /nfs/dbraw/zinc/57/34/30/820573430.db2.gz QMTKXIFLXTZLGP-ZDUSSCGKSA-N 1 0 291.395 1.439 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825103983 820812891 /nfs/dbraw/zinc/81/28/91/820812891.db2.gz JQXOPAUMBLVKIX-ZWNOBZJWSA-N 1 0 251.326 1.746 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000827119551 820825089 /nfs/dbraw/zinc/82/50/89/820825089.db2.gz NCEAFQQVMLSGCY-CYBMUJFWSA-N 1 0 292.379 1.307 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)c(O)c1 ZINC000832177619 820837809 /nfs/dbraw/zinc/83/78/09/820837809.db2.gz CAMFCIYKZXSABT-GFCCVEGCSA-N 1 0 264.325 1.015 20 10 CDCDRO CN1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000310395402 820857770 /nfs/dbraw/zinc/85/77/70/820857770.db2.gz LWPGMBJWIHPMBJ-SNVBAGLBSA-N 1 0 254.717 1.366 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1(CO)CC1 ZINC000850360055 820866092 /nfs/dbraw/zinc/86/60/92/820866092.db2.gz AEAMISXGFIVISC-AWEZNQCLSA-N 1 0 290.407 1.774 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(OC)CCOC2)c1 ZINC000123265422 820887544 /nfs/dbraw/zinc/88/75/44/820887544.db2.gz VVLOEUWJFYLDPG-XHDPSFHLSA-N 1 0 281.352 1.857 20 10 CDCDRO CC(C)C[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000042912131 820924940 /nfs/dbraw/zinc/92/49/40/820924940.db2.gz RZBHDNBOVZLPCN-UHFFFAOYSA-N 1 0 292.379 1.895 20 10 CDCDRO COCCC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879462254 821230900 /nfs/dbraw/zinc/23/09/00/821230900.db2.gz MJCZDGMUYINLEZ-UHFFFAOYSA-N 1 0 294.395 1.862 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CO)CCF)c(O)c1 ZINC000846097247 821303258 /nfs/dbraw/zinc/30/32/58/821303258.db2.gz OILIPPUDNGBCIC-NSHDSACASA-N 1 0 257.305 1.601 20 10 CDCDRO COc1ccc(N2CCN(CC(C)(C)[NH3+])CC2)cc1F ZINC000843119637 821365110 /nfs/dbraw/zinc/36/51/10/821365110.db2.gz XULULBJIAHBELR-UHFFFAOYSA-N 1 0 281.375 1.694 20 10 CDCDRO C[NH2+]CCCC(=O)NCc1ccc(OC)cc1O ZINC000832178582 821475426 /nfs/dbraw/zinc/47/54/26/821475426.db2.gz SRCUWRCVIKQGDR-UHFFFAOYSA-N 1 0 252.314 1.017 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000844173321 821514902 /nfs/dbraw/zinc/51/49/02/821514902.db2.gz UQSZMPJPCGEDQD-OKILXGFUSA-N 1 0 275.396 1.886 20 10 CDCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccccc1O ZINC000839196351 821622122 /nfs/dbraw/zinc/62/21/22/821622122.db2.gz UXTUDYDDUFUUPT-SCRDCRAPSA-N 1 0 251.326 1.847 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1C ZINC000824926870 821804009 /nfs/dbraw/zinc/80/40/09/821804009.db2.gz WGRLIXFUASIZJQ-GASCZTMLSA-N 1 0 292.423 1.896 20 10 CDCDRO COc1c(O)c(CN(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000843049931 821838108 /nfs/dbraw/zinc/83/81/08/821838108.db2.gz YWPZRYCFOREEAJ-SNVBAGLBSA-N 1 0 281.312 1.103 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c(O)c1 ZINC000840825324 821856151 /nfs/dbraw/zinc/85/61/51/821856151.db2.gz DWHHFRDGZMTSJF-NEPJUHHUSA-N 1 0 262.353 1.877 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CC[C@@H]1O ZINC000840974508 821865713 /nfs/dbraw/zinc/86/57/13/821865713.db2.gz BYTGVPJXMZYSPO-HOCLYGCPSA-N 1 0 287.359 1.721 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2CCC(=O)N(C)CC2)cc1 ZINC000852578181 821888086 /nfs/dbraw/zinc/88/80/86/821888086.db2.gz VOAWIUDDBSUZII-UHFFFAOYSA-N 1 0 261.369 1.417 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]CCCNc1ncccn1 ZINC000779044622 822061647 /nfs/dbraw/zinc/06/16/47/822061647.db2.gz APQYQUJRYFDCPI-UHFFFAOYSA-N 1 0 276.315 1.913 20 10 CDCDRO CN(CCCNC(=O)C1=CC(=O)CS1)CC[NH+](C)C ZINC000811542552 822195414 /nfs/dbraw/zinc/19/54/14/822195414.db2.gz BFPBWWCBHWSDQL-UHFFFAOYSA-N 1 0 285.413 1.067 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)NCC[NH2+]C ZINC000841935811 822221116 /nfs/dbraw/zinc/22/11/16/822221116.db2.gz ZQDIQAPHUUMRID-UHFFFAOYSA-N 1 0 265.357 1.533 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCNC(=O)CC2)cc1F ZINC000873029822 822334913 /nfs/dbraw/zinc/33/49/13/822334913.db2.gz RXVIRFJMLQYEQT-GFCCVEGCSA-N 1 0 279.359 1.650 20 10 CDCDRO C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817895839 822377570 /nfs/dbraw/zinc/37/75/70/822377570.db2.gz WVIWSHHLLDLPOF-WMLDXEAASA-N 1 0 289.423 1.753 20 10 CDCDRO CCc1cccc(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c1O ZINC000848900264 822392975 /nfs/dbraw/zinc/39/29/75/822392975.db2.gz ZOKGRALUFQSNRF-IUODEOHRSA-N 1 0 278.396 1.763 20 10 CDCDRO CCc1cccc(C[N@@H+](CC)[C@H]2CCNC2=O)c1O ZINC000848909691 822446205 /nfs/dbraw/zinc/44/62/05/822446205.db2.gz ZQTAWPJAJAPNSH-ZDUSSCGKSA-N 1 0 262.353 1.665 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[NH2+]C2CC2)c1 ZINC000848426973 822465670 /nfs/dbraw/zinc/46/56/70/822465670.db2.gz RCIKAEUJPHOHTJ-SNVBAGLBSA-N 1 0 278.352 1.720 20 10 CDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000156540875 822473169 /nfs/dbraw/zinc/47/31/69/822473169.db2.gz FEOQWTPXZOAUPW-VXGBXAGGSA-N 1 0 263.385 1.694 20 10 CDCDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000824708044 822499917 /nfs/dbraw/zinc/49/99/17/822499917.db2.gz CXDLVMAYVDHTQX-DOMZBBRYSA-N 1 0 265.353 1.842 20 10 CDCDRO Cc1ccc(C(=O)NOC2CC[NH+](C)CC2)c(O)c1O ZINC000854358417 822518011 /nfs/dbraw/zinc/51/80/11/822518011.db2.gz XKBLOPCTYNOVKR-UHFFFAOYSA-N 1 0 280.324 1.162 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]Cc2ccn(C)n2)c1O ZINC000846158087 822524799 /nfs/dbraw/zinc/52/47/99/822524799.db2.gz SBYGJYYYBYJLSY-SNVBAGLBSA-N 1 0 261.325 1.985 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000180175425 822541268 /nfs/dbraw/zinc/54/12/68/822541268.db2.gz JBMABYLLMNHQKF-AWEZNQCLSA-N 1 0 281.352 1.374 20 10 CDCDRO COCCOCCC[NH2+]Cc1ccc(C)cc1O ZINC000876901948 822599668 /nfs/dbraw/zinc/59/96/68/822599668.db2.gz IOBZBOOVLPBNTJ-UHFFFAOYSA-N 1 0 253.342 1.843 20 10 CDCDRO [NH3+][C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205102920 913563271 /nfs/dbraw/zinc/56/32/71/913563271.db2.gz WJMYZKPRERZITM-INIZCTEOSA-N 1 0 289.423 1.836 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000248523110 895881113 /nfs/dbraw/zinc/88/11/13/895881113.db2.gz SKVAJKNBLAXPAR-MRCXROJRSA-N 1 0 251.326 1.965 20 10 CDCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141155922 899821502 /nfs/dbraw/zinc/82/15/02/899821502.db2.gz AUVNKNSPZKWZBP-QWRGUYRKSA-N 1 0 251.326 1.691 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cccc(O)c1O ZINC000710414295 903242615 /nfs/dbraw/zinc/24/26/15/903242615.db2.gz PVOFQRVMUBXWKG-SNVBAGLBSA-N 1 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QXRBYPJVTNGNIB-UHFFFAOYSA-N 1 0 294.395 1.209 20 10 CDCDRO O=C1NCC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]12 ZINC001204322068 917679603 /nfs/dbraw/zinc/67/96/03/917679603.db2.gz NIAINFFLIIFMJD-DOTOQJQBSA-N 1 0 299.418 1.855 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827133321 936493574 /nfs/dbraw/zinc/49/35/74/936493574.db2.gz SPZCJGXMEFIKOK-TZMCWYRMSA-N 1 0 274.364 1.801 20 10 CDCDRO C[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1COC1 ZINC001138337477 936522308 /nfs/dbraw/zinc/52/23/08/936522308.db2.gz QWQZQBCPLWNLSF-UHFFFAOYSA-N 1 0 288.391 1.922 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC(C2COC2)C1 ZINC001138495179 936542832 /nfs/dbraw/zinc/54/28/32/936542832.db2.gz UZUBPSFAXGXCHP-UHFFFAOYSA-N 1 0 288.391 1.601 20 10 CDCDRO CC[C@@H](C)OCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267657 936570138 /nfs/dbraw/zinc/57/01/38/936570138.db2.gz YNJRKYWMAKQIDY-IUODEOHRSA-N 1 0 293.411 1.684 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CC1=O ZINC000391524138 936658868 /nfs/dbraw/zinc/65/88/68/936658868.db2.gz DYCAOOZNDJALBJ-ONGXEEELSA-N 1 0 266.316 1.803 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCCO1 ZINC001140060146 936675427 /nfs/dbraw/zinc/67/54/27/936675427.db2.gz MROZWFMPGKWPNP-ZDUSSCGKSA-N 1 0 283.299 1.295 20 10 CDCDRO Cc1c(O)ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC001140748485 936749777 /nfs/dbraw/zinc/74/97/77/936749777.db2.gz HMYWIHSGVVVKNM-GXTWGEPZSA-N 1 0 276.380 1.932 20 10 CDCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000702873878 922617514 /nfs/dbraw/zinc/61/75/14/922617514.db2.gz BCDUKYLJJFAEIL-NSHDSACASA-N 1 0 265.309 1.732 20 10 CDCDRO CN(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001140921377 936776278 /nfs/dbraw/zinc/77/62/78/936776278.db2.gz BHKPCHCGFODISI-BXUZGUMPSA-N 1 0 284.787 1.191 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c(O)c1 ZINC001140947678 936782360 /nfs/dbraw/zinc/78/23/60/936782360.db2.gz AGIHOIGTDBPZOZ-DGCLKSJQSA-N 1 0 253.317 1.853 20 10 CDCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140947846 936782378 /nfs/dbraw/zinc/78/23/78/936782378.db2.gz IDAJUTZMWGBUJU-BBRMVZONSA-N 1 0 291.347 1.322 20 10 CDCDRO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC001140950902 936783303 /nfs/dbraw/zinc/78/33/03/936783303.db2.gz OKVDLTZLWZBKPC-ZDUSSCGKSA-N 1 0 262.353 1.753 20 10 CDCDRO Cc1ccc(C[NH+]2CCN(c3cncnc3)CC2)c(O)c1 ZINC001140957540 936784116 /nfs/dbraw/zinc/78/41/16/936784116.db2.gz CZATYTSPTLQEGZ-UHFFFAOYSA-N 1 0 284.363 1.813 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC001141029588 936794883 /nfs/dbraw/zinc/79/48/83/936794883.db2.gz WVDKKBGQKZDCPL-TXEJJXNPSA-N 1 0 292.379 1.688 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(F)ccc1O ZINC000710914615 923254994 /nfs/dbraw/zinc/25/49/94/923254994.db2.gz YBMDSRVYANIGPN-XTWCZFFVSA-N 1 0 255.289 1.332 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@@H](O)C3)ccc21 ZINC001141140236 936819053 /nfs/dbraw/zinc/81/90/53/936819053.db2.gz JRHSNERHFFOGOV-CQSZACIVSA-N 1 0 276.380 1.862 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000775681668 924786296 /nfs/dbraw/zinc/78/62/96/924786296.db2.gz QLDISUGDMRUPRI-LBPRGKRZSA-N 1 0 265.353 1.995 20 10 CDCDRO COc1ccc(O)c(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205806931 925169316 /nfs/dbraw/zinc/16/93/16/925169316.db2.gz WPFBDICLZQNVPQ-WCQYABFASA-N 1 0 264.369 1.960 20 10 CDCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000829425457 926264783 /nfs/dbraw/zinc/26/47/83/926264783.db2.gz AHCRSMMKRMYFBR-CJNGLKHVSA-N 1 0 276.380 1.648 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000776249074 926490133 /nfs/dbraw/zinc/49/01/33/926490133.db2.gz SCBBUNJDVAYSAO-LBPRGKRZSA-N 1 0 291.347 1.935 20 10 CDCDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120698 937114215 /nfs/dbraw/zinc/11/42/15/937114215.db2.gz BQBOFKOTQNYLKM-CYBMUJFWSA-N 1 0 295.814 1.525 20 10 CDCDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(C)c2O)CO1 ZINC001169351084 927953957 /nfs/dbraw/zinc/95/39/57/927953957.db2.gz MDLGUIREPKKQQE-KBPBESRZSA-N 1 0 293.363 1.901 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCOC[C@H]2O)cc1F ZINC000858301265 928833310 /nfs/dbraw/zinc/83/33/10/928833310.db2.gz TTYOEUHWASYJCJ-TZMCWYRMSA-N 1 0 286.322 1.270 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c1 ZINC000697580768 937284126 /nfs/dbraw/zinc/28/41/26/937284126.db2.gz WDTKMUQOOZPKDJ-WDEREUQCSA-N 1 0 271.382 1.784 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000862542324 929424466 /nfs/dbraw/zinc/42/44/66/929424466.db2.gz MEAAMUJOPNIXHO-SNVBAGLBSA-N 1 0 252.314 1.199 20 10 CDCDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134591915 930569344 /nfs/dbraw/zinc/56/93/44/930569344.db2.gz HUSITBYGWUVJLG-UHFFFAOYSA-N 1 0 294.351 1.515 20 10 CDCDRO CN1CCN(c2ccc(C[NH2+]CC(C)(C)O)cc2F)CC1 ZINC001116033886 937428329 /nfs/dbraw/zinc/42/83/29/937428329.db2.gz YWXQONJRRLTQHF-UHFFFAOYSA-N 1 0 295.402 1.438 20 10 CDCDRO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 ZINC001153886078 937480790 /nfs/dbraw/zinc/48/07/90/937480790.db2.gz VLYDKNVHNOBXCL-AAEUAGOBSA-N 1 0 292.379 1.834 20 10 CDCDRO CC1(C)C[N@H+](Cc2c(O)cc(O)cc2O)CCCO1 ZINC001144509167 931874985 /nfs/dbraw/zinc/87/49/85/931874985.db2.gz NIULFFUSJHHFLW-UHFFFAOYSA-N 1 0 267.325 1.804 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515413 931878403 /nfs/dbraw/zinc/87/84/03/931878403.db2.gz NSSXGCGRHJJNEQ-JTQLQIEISA-N 1 0 295.335 1.579 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846158292 931982871 /nfs/dbraw/zinc/98/28/71/931982871.db2.gz WKNHJPMYWTZJKU-RAIGVLPGSA-N 1 0 292.379 1.966 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000846147759 931986678 /nfs/dbraw/zinc/98/66/78/931986678.db2.gz VTVKUICZBRQFBF-VHSXEESVSA-N 1 0 264.325 1.282 20 10 CDCDRO CN1CC[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](CO)C1 ZINC001119246911 937702989 /nfs/dbraw/zinc/70/29/89/937702989.db2.gz LCRJHCLJEWMVHE-QGZVFWFLSA-N 1 0 289.423 1.395 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)c1O ZINC000692092364 934381951 /nfs/dbraw/zinc/38/19/51/934381951.db2.gz KSYZEQDTOXPNIB-MRXNPFEDSA-N 1 0 276.380 1.913 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N)cc1)[C@H](C)N1CCOCC1 ZINC001120370614 937796232 /nfs/dbraw/zinc/79/62/32/937796232.db2.gz CFFVSAZCTTZCRI-OLZOCXBDSA-N 1 0 263.385 1.468 20 10 CDCDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000394069069 935888214 /nfs/dbraw/zinc/88/82/14/935888214.db2.gz ITBGMXKNMAMCAJ-INIZCTEOSA-N 1 0 292.423 1.877 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)cc1C ZINC001123903986 936243495 /nfs/dbraw/zinc/24/34/95/936243495.db2.gz HHHFRSOBLKTDFQ-UHFFFAOYSA-N 1 0 288.351 1.246 20 10 CDCDRO Oc1ccc(-c2csc(CN3CC[NH2+]CC3)n2)cc1O ZINC001120851481 937841890 /nfs/dbraw/zinc/84/18/90/937841890.db2.gz IGXSJUQTIRAZAM-UHFFFAOYSA-N 1 0 291.376 1.627 20 10 CDCDRO Cc1cnc(NCc2ccc(O)c(O)c2)nc1C1C[NH2+]C1 ZINC001159005502 938688614 /nfs/dbraw/zinc/68/86/14/938688614.db2.gz NJRBFGZODCDNDG-UHFFFAOYSA-N 1 0 286.335 1.495 20 10 CDCDRO O=C(C1CC[NH2+]CC1)N1CCc2cccc(O)c2C1 ZINC001160872346 938835167 /nfs/dbraw/zinc/83/51/67/938835167.db2.gz KFGBTYXUKCXUDI-UHFFFAOYSA-N 1 0 260.337 1.277 20 10 CDCDRO O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CCc2cccc(O)c2C1 ZINC001160871984 938835235 /nfs/dbraw/zinc/83/52/35/938835235.db2.gz DRYXITHPORYEMI-DGCLKSJQSA-N 1 0 278.327 1.225 20 10 CDCDRO O=C1C[N@@H+](Cc2ccccc2O)CC2(CCCC2)N1 ZINC001203562954 939693315 /nfs/dbraw/zinc/69/33/15/939693315.db2.gz QUACWDJBJAZTQH-UHFFFAOYSA-N 1 0 260.337 1.637 20 10 CDCDRO COC(=O)CC[N@H+](Cc1cccc(OC)c1O)C1CC1 ZINC001203599610 939695330 /nfs/dbraw/zinc/69/53/30/939695330.db2.gz JSTNSCUNMPIFGT-UHFFFAOYSA-N 1 0 279.336 1.928 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c1 ZINC001203620641 939696991 /nfs/dbraw/zinc/69/69/91/939696991.db2.gz GTGZKHWXXJWAIA-QMTHXVAHSA-N 1 0 251.326 1.604 20 10 CDCDRO Oc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC001203879704 939710896 /nfs/dbraw/zinc/71/08/96/939710896.db2.gz YQNRCFBWHSKNTL-CYBMUJFWSA-N 1 0 262.353 1.768 20 10 CDCDRO Oc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(O)c1 ZINC001204274704 939749776 /nfs/dbraw/zinc/74/97/76/939749776.db2.gz GXQKGEZONBLXRL-ZDUSSCGKSA-N 1 0 278.352 1.004 20 10 CDCDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(O)cc1O ZINC001204276018 939750308 /nfs/dbraw/zinc/75/03/08/939750308.db2.gz DLLQAQIQNSWPMC-UHFFFAOYSA-N 1 0 267.325 1.873 20 10 CDCDRO O=C1CCC[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204281765 939752841 /nfs/dbraw/zinc/75/28/41/939752841.db2.gz IPKRJFUGHIEQMU-GWCFXTLKSA-N 1 0 261.321 1.899 20 10 CDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)c(O)cc1O ZINC001205190056 939833652 /nfs/dbraw/zinc/83/36/52/939833652.db2.gz KQQDLFKBJOQQBR-GMSGAONNSA-N 1 0 256.733 1.673 20 10 CDCDRO [NH3+][C@@H]1CN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1O ZINC001205370395 939886556 /nfs/dbraw/zinc/88/65/56/939886556.db2.gz RXOCPZISZCMVCW-PSASIEDQSA-N 1 0 277.151 1.203 20 10 CDCDRO [NH3+][C@H]1CN(Cc2cc(O)ccc2O)CC(F)(F)C1 ZINC001206133213 939984265 /nfs/dbraw/zinc/98/42/65/939984265.db2.gz 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ZINC001232841013 943417474 /nfs/dbraw/zinc/41/74/74/943417474.db2.gz PYIRURDUJRWKSO-UHFFFAOYSA-N 1 0 286.379 1.750 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009810 943460526 /nfs/dbraw/zinc/46/05/26/943460526.db2.gz BZCZLOOVFSHQSI-SNVBAGLBSA-N 1 0 267.325 1.398 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1 ZINC001233284382 943532310 /nfs/dbraw/zinc/53/23/10/943532310.db2.gz SILGJKZATGEZCT-CZUORRHYSA-N 1 0 293.407 1.865 20 10 CDCDRO C[C@@]1(CO)CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233483048 943591299 /nfs/dbraw/zinc/59/12/99/943591299.db2.gz MDVONTKMGIZUSB-OAHLLOKOSA-N 1 0 281.352 1.788 20 10 CDCDRO OC[C@H]1CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233482883 943591393 /nfs/dbraw/zinc/59/13/93/943591393.db2.gz GATVMQFFCPHDML-JTQLQIEISA-N 1 0 267.325 1.398 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@H]1O ZINC001233482782 943591643 /nfs/dbraw/zinc/59/16/43/943591643.db2.gz BRXMIJLYGCXXTB-AMIZOPFISA-N 1 0 253.298 1.006 20 10 CDCDRO Cc1cc(O)c(CN2CCNC[C@@]23CC[NH2+]C3)cc1Cl ZINC001234986386 943995534 /nfs/dbraw/zinc/99/55/34/943995534.db2.gz CREBZFFPMJRFFS-HNNXBMFYSA-N 1 0 295.814 1.491 20 10 CDCDRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001235676910 944241951 /nfs/dbraw/zinc/24/19/51/944241951.db2.gz WVVAGMNLUMFDLR-UKRRQHHQSA-N 1 0 293.407 1.865 20 10 CDCDRO [NH3+][C@H]1CCN(Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236172548 944422238 /nfs/dbraw/zinc/42/22/38/944422238.db2.gz DAFKPWUYFBAPHO-ZDUSSCGKSA-N 1 0 295.814 1.710 20 10 CDCDRO COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2O)C[C@H]1[NH3+] ZINC001236362883 944484854 /nfs/dbraw/zinc/48/48/54/944484854.db2.gz ZMQVNMRMPLIMPZ-ZYHUDNBSSA-N 1 0 298.770 1.286 20 10 CDCDRO Cc1c(O)ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1O ZINC001236575975 944513707 /nfs/dbraw/zinc/51/37/07/944513707.db2.gz FTJPRFWLPKHORH-UWVGGRQHSA-N 1 0 250.342 1.588 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(OC)c(OC)cc1O ZINC001236755718 944559598 /nfs/dbraw/zinc/55/95/98/944559598.db2.gz HQQBOYRPOQGFNR-STQMWFEESA-N 1 0 292.379 1.688 20 10 CDCDRO COc1cc(O)c(CN2CC[N@@H+]3CC[C@H]3C2)c(Cl)c1 ZINC001236806244 944573378 /nfs/dbraw/zinc/57/33/78/944573378.db2.gz RKMSTLMKZNAGGO-JTQLQIEISA-N 1 0 282.771 1.944 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c(O)c1 ZINC001236815329 944578688 /nfs/dbraw/zinc/57/86/88/944578688.db2.gz JMRJVFWOPROTAA-ZDUSSCGKSA-N 1 0 292.379 1.762 20 10 CDCDRO CCN(CC)c1ccc(CN2C[C@@H]([NH3+])C3(COC3)C2)cc1 ZINC001237177418 944676211 /nfs/dbraw/zinc/67/62/11/944676211.db2.gz XNPMCNVZNFMRPB-MRXNPFEDSA-N 1 0 289.423 1.692 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c(OC)c1 ZINC001237671654 944917540 /nfs/dbraw/zinc/91/75/40/944917540.db2.gz DOTGCUZPJWTEOW-NEPJUHHUSA-N 1 0 285.315 1.314 20 10 CDCDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)C2)c(O)c(OC)c1 ZINC001237676134 944921678 /nfs/dbraw/zinc/92/16/78/944921678.db2.gz JFZQALTUGITDAR-LBPRGKRZSA-N 1 0 280.368 1.545 20 10 CDCDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC001261256412 946020773 /nfs/dbraw/zinc/02/07/73/946020773.db2.gz GGGHLRXNGNMQTJ-SNVBAGLBSA-N 1 0 296.342 1.699 20 10 CDCDRO C[C@H]1CC[C@@H](NCC(=O)c2ccc(O)c(O)c2)C[NH2+]1 ZINC001246286602 948080897 /nfs/dbraw/zinc/08/08/97/948080897.db2.gz CWUSJFZYIYDDHN-GXSJLCMTSA-N 1 0 264.325 1.011 20 10 CDCDRO C[C@@H](Cc1ccccn1)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001256401807 948304815 /nfs/dbraw/zinc/30/48/15/948304815.db2.gz VYGUHQXOTKVPST-NSHDSACASA-N 1 0 286.331 1.896 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CCSCC2)c(O)c1 ZINC001249178672 949441875 /nfs/dbraw/zinc/44/18/75/949441875.db2.gz UVXYJPDZEFRQTH-UHFFFAOYSA-N 1 0 281.377 1.657 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC001249201148 949452834 /nfs/dbraw/zinc/45/28/34/949452834.db2.gz HMWJDCLRBSUFRJ-MRXNPFEDSA-N 1 0 293.363 1.455 20 10 CDCDRO C[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C[C@H](O)CO ZINC001249230304 949475069 /nfs/dbraw/zinc/47/50/69/949475069.db2.gz BQSTYAQCEDQVFW-LBPRGKRZSA-N 1 0 293.363 1.361 20 10 CDCDRO CC(C)(C)OC[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253472089 951923642 /nfs/dbraw/zinc/92/36/42/951923642.db2.gz PTDPYZVBFPCTMI-LBPRGKRZSA-N 1 0 283.368 1.406 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H](O)COC(C)(C)C)c1O ZINC001253476800 951928372 /nfs/dbraw/zinc/92/83/72/951928372.db2.gz MKQXNVZSOANLFB-CYBMUJFWSA-N 1 0 267.369 1.966 20 10 CDCDRO CCOC(=O)C[C@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001253799013 952124040 /nfs/dbraw/zinc/12/40/40/952124040.db2.gz LVAGFALVTDDRLN-ZDUSSCGKSA-N 1 0 281.352 1.528 20 10 CDCDRO CC[N@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCNC1=O ZINC001327031280 954667338 /nfs/dbraw/zinc/66/73/38/954667338.db2.gz KLWCCPMADGKWPV-INIZCTEOSA-N 1 0 287.407 1.997 20 10 CDCDRO CC(C)c1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC001308822609 956586310 /nfs/dbraw/zinc/58/63/10/956586310.db2.gz HGRWULKFMUQSSN-HOCLYGCPSA-N 1 0 279.380 1.691 20 10 CDCDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001335338359 959725376 /nfs/dbraw/zinc/72/53/76/959725376.db2.gz PVAPBJALFKFTFR-CYBMUJFWSA-N 1 0 290.411 1.942 20 10 CDCDRO C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(N)cc2)[C@@H]1C ZINC001337070856 960912769 /nfs/dbraw/zinc/91/27/69/960912769.db2.gz YHOWLGVGKILBPY-GHMZBOCLSA-N 1 0 262.357 1.161 20 10 CDCDRO CC[NH+](CC)CCSCC(=O)NCc1ccc(N)cc1 ZINC001343471774 963999288 /nfs/dbraw/zinc/99/92/88/963999288.db2.gz AXSARHZDJLCHOE-UHFFFAOYSA-N 1 0 295.452 1.960 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N)cc1 ZINC001345159512 964611275 /nfs/dbraw/zinc/61/12/75/964611275.db2.gz JHLJQINFFRFBGN-CQSZACIVSA-N 1 0 266.341 1.327 20 10 CDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001346499824 965144763 /nfs/dbraw/zinc/14/47/63/965144763.db2.gz DOGIZAQTNHRBDH-ZJUUUORDSA-N 1 0 250.346 1.194 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC001352789377 967482546 /nfs/dbraw/zinc/48/25/46/967482546.db2.gz JYDHWMMFIIVKKF-AWEZNQCLSA-N 1 0 257.341 1.697 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC001353540884 968056362 /nfs/dbraw/zinc/05/63/62/968056362.db2.gz YVWNJBSTJLQBLG-ZDUSSCGKSA-N 1 0 276.384 1.539 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3F)cc2)CC1 ZINC001528572924 968878384 /nfs/dbraw/zinc/87/83/84/968878384.db2.gz XHFSDOHSUYAZII-LSDHHAIUSA-N 1 0 291.370 1.413 20 10 CDCDRO CN1CCCc2cc(CNC(=O)C34CC(C3)C[NH2+]4)ccc21 ZINC001357383865 969581086 /nfs/dbraw/zinc/58/10/86/969581086.db2.gz AXVWRNQXRSRTRC-UHFFFAOYSA-N 1 0 285.391 1.437 20 10 CDCDRO CCOc1ccc(C[NH2+]Cc2cncn2C)c(O)c1 ZINC000810160034 1163176665 /nfs/dbraw/zinc/17/66/65/1163176665.db2.gz RHQCZVNOTRQHFX-UHFFFAOYSA-N 1 0 261.325 1.814 20 10 CDCDRO [NH3+]C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000269262045 539052957 /nfs/dbraw/zinc/05/29/57/539052957.db2.gz WSYJSSKMFLNTHO-UHFFFAOYSA-N 1 0 259.353 1.394 20 10 CDCDRO CCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801169 356536927 /nfs/dbraw/zinc/53/69/27/356536927.db2.gz MFOZQYCLMAJWQS-AWEZNQCLSA-N 1 0 263.385 1.838 20 10 CDCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000042560488 357072051 /nfs/dbraw/zinc/07/20/51/357072051.db2.gz ZGQRLVWUWQBCEK-IUCAKERBSA-N 1 0 252.314 1.186 20 10 CDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180229708 357253859 /nfs/dbraw/zinc/25/38/59/357253859.db2.gz QNLRJNMZPVQJSP-CQSZACIVSA-N 1 0 267.300 1.916 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000188476497 357901874 /nfs/dbraw/zinc/90/18/74/357901874.db2.gz NDZUEHWBOYEBTN-LLVKDONJSA-N 1 0 250.342 1.657 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(C[C@@H](C)O)CC2)c1O ZINC000188736462 357932281 /nfs/dbraw/zinc/93/22/81/357932281.db2.gz UMOMGWBZBMYPJN-CYBMUJFWSA-N 1 0 264.369 1.199 20 10 CDCDRO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000365277257 359238912 /nfs/dbraw/zinc/23/89/12/359238912.db2.gz INIBYCNEEZERTL-KBPBESRZSA-N 1 0 275.348 1.962 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297861588 200295084 /nfs/dbraw/zinc/29/50/84/200295084.db2.gz UCSSRLKKWUBTCM-VXGBXAGGSA-N 1 0 251.326 1.367 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000268875390 364106839 /nfs/dbraw/zinc/10/68/39/364106839.db2.gz ISQXFGSMGPHLMU-LRDDRELGSA-N 1 0 288.395 1.870 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H](O)COC)c1ccc(N(C)C)cc1 ZINC000268893249 364109796 /nfs/dbraw/zinc/10/97/96/364109796.db2.gz KDEIRAZHYGVFTL-LSDHHAIUSA-N 1 0 266.385 1.801 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282462244 364112945 /nfs/dbraw/zinc/11/29/45/364112945.db2.gz VSDJFGIHMIRNIG-OVWNDWIMSA-N 1 0 283.393 1.963 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC)cc2F)CC1 ZINC000171693519 365363489 /nfs/dbraw/zinc/36/34/89/365363489.db2.gz ZOWUCFFIPIKEAY-UHFFFAOYSA-N 1 0 294.374 1.397 20 10 CDCDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000272884095 365431497 /nfs/dbraw/zinc/43/14/97/365431497.db2.gz RHCJALKCYNNSAO-CYBMUJFWSA-N 1 0 291.395 1.207 20 10 CDCDRO CN(CCC[NH+]1CCCC1)C(=O)c1cccc(O)c1O ZINC000281684402 367672516 /nfs/dbraw/zinc/67/25/16/367672516.db2.gz KWPCOEOGQYLPFM-UHFFFAOYSA-N 1 0 278.352 1.656 20 10 CDCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NCCF ZINC000282864733 368075095 /nfs/dbraw/zinc/07/50/95/368075095.db2.gz UVUZCYJAURFEEM-VXGBXAGGSA-N 1 0 281.375 1.877 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000294027918 370910344 /nfs/dbraw/zinc/91/03/44/370910344.db2.gz HLMWQQUTPVDAOT-CHWSQXEVSA-N 1 0 293.386 1.883 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000292811570 377553167 /nfs/dbraw/zinc/55/31/67/377553167.db2.gz OWHAJQTVSLSWGT-ZDUSSCGKSA-N 1 0 298.408 1.166 20 10 CDCDRO COCCC[N@H+](CCO)Cc1cc(C)c(C)cc1O ZINC000188928212 262164721 /nfs/dbraw/zinc/16/47/21/262164721.db2.gz MISAPCKOGFBWPC-UHFFFAOYSA-N 1 0 267.369 1.840 20 10 CDCDRO COc1cccc(C[NH2+]CCSCCCO)c1O ZINC000105643209 390516056 /nfs/dbraw/zinc/51/60/56/390516056.db2.gz JMNOYDUVXYFKIZ-UHFFFAOYSA-N 1 0 271.382 1.606 20 10 CDCDRO CCC[N@H+](CC(=O)NC)Cc1cccc(OCC)c1O ZINC000133298171 390903139 /nfs/dbraw/zinc/90/31/39/390903139.db2.gz HZDGGMDYLIIJTO-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665158 390903753 /nfs/dbraw/zinc/90/37/53/390903753.db2.gz RZJKNIKDUWMASC-HNNXBMFYSA-N 1 0 290.407 1.855 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)cc1OC ZINC000183469421 391265521 /nfs/dbraw/zinc/26/55/21/391265521.db2.gz PTGGTPSRYRHFEK-LLVKDONJSA-N 1 0 267.325 1.366 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1C ZINC000193674519 391344173 /nfs/dbraw/zinc/34/41/73/391344173.db2.gz LVPQLTGFFHQNIK-YMTOWFKASA-N 1 0 262.353 1.623 20 10 CDCDRO COCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)C(N)=O ZINC000293137504 391653801 /nfs/dbraw/zinc/65/38/01/391653801.db2.gz QDXCDZQQCGMPIO-ZDUSSCGKSA-N 1 0 293.411 1.383 20 10 CDCDRO O=C(c1cccc(O)c1O)N1CC[NH+](CC2CC2)CC1 ZINC000126289886 260349224 /nfs/dbraw/zinc/34/92/24/260349224.db2.gz XZYWCTPQMMUAMU-UHFFFAOYSA-N 1 0 276.336 1.266 20 10 CDCDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1O ZINC000155108919 261098194 /nfs/dbraw/zinc/09/81/94/261098194.db2.gz NXEMHEVFJKQBBR-CYBMUJFWSA-N 1 0 292.379 1.715 20 10 CDCDRO CC[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1O ZINC000155108819 261098236 /nfs/dbraw/zinc/09/82/36/261098236.db2.gz NXEMHEVFJKQBBR-ZDUSSCGKSA-N 1 0 292.379 1.715 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)[N@@H+]1CCC[C@@H](C)C1 ZINC000186935607 262117519 /nfs/dbraw/zinc/11/75/19/262117519.db2.gz QWSHYBSFYSWEML-NEPJUHHUSA-N 1 0 292.379 1.948 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1 ZINC000187825129 263269806 /nfs/dbraw/zinc/26/98/06/263269806.db2.gz ITYJSZBQVGCJNQ-GTNSWQLSSA-N 1 0 255.383 1.899 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC[S@](C)=O)c1 ZINC000125534130 264011769 /nfs/dbraw/zinc/01/17/69/264011769.db2.gz ICQSPVCOXRWSKV-PIGZYNQJSA-N 1 0 255.383 1.947 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000166042816 331306498 /nfs/dbraw/zinc/30/64/98/331306498.db2.gz GULAICGYZUDUTE-UHFFFAOYSA-N 1 0 291.395 1.124 20 10 CDCDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccccc1O ZINC000228055261 333293807 /nfs/dbraw/zinc/29/38/07/333293807.db2.gz HIVLFSLCHTXTNZ-ZLDLUXBVSA-N 1 0 265.353 1.973 20 10 CDCDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000230663296 333320014 /nfs/dbraw/zinc/32/00/14/333320014.db2.gz SZIVGHUJBGDCRM-MNOVXSKESA-N 1 0 269.341 1.449 20 10 CDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1O ZINC000280619618 520476971 /nfs/dbraw/zinc/47/69/71/520476971.db2.gz ZRWILVBBGULNIN-CYBMUJFWSA-N 1 0 265.309 1.324 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C2([NH3+])CC2)cc1F ZINC000236909786 520894942 /nfs/dbraw/zinc/89/49/42/520894942.db2.gz ZEBOTJZROUWYCG-UHFFFAOYSA-N 1 0 279.359 1.779 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000069173039 521642689 /nfs/dbraw/zinc/64/26/89/521642689.db2.gz DVRFAQOPWMTFAY-UHFFFAOYSA-N 1 0 271.382 1.528 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000289938927 521687527 /nfs/dbraw/zinc/68/75/27/521687527.db2.gz YELJUWFWGKFCFN-NSHDSACASA-N 1 0 278.352 1.647 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000289938923 521687904 /nfs/dbraw/zinc/68/79/04/521687904.db2.gz YELJUWFWGKFCFN-LLVKDONJSA-N 1 0 278.352 1.647 20 10 CDCDRO CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000274812066 522709588 /nfs/dbraw/zinc/70/95/88/522709588.db2.gz YBACIZUZYCQUQB-KBPBESRZSA-N 1 0 275.352 1.900 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000289744196 523409901 /nfs/dbraw/zinc/40/99/01/523409901.db2.gz VZDKFFYQPKITTE-QWHCGFSZSA-N 1 0 262.353 1.739 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000295053195 527474346 /nfs/dbraw/zinc/47/43/46/527474346.db2.gz PUBXXXGHZOGXDJ-HNNXBMFYSA-N 1 0 287.407 1.659 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000725846567 574443960 /nfs/dbraw/zinc/44/39/60/574443960.db2.gz HOYGKQGZCJLJTI-ZDUSSCGKSA-N 1 0 267.325 1.296 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCOC1 ZINC000725847684 574444140 /nfs/dbraw/zinc/44/41/40/574444140.db2.gz QFJFEVXRXBXMSV-LLVKDONJSA-N 1 0 251.326 1.917 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)COC)c(O)c1 ZINC000732672461 575093654 /nfs/dbraw/zinc/09/36/54/575093654.db2.gz JJTBIMPAGGNLDE-CQSZACIVSA-N 1 0 269.341 1.278 20 10 CDCDRO COc1ccc(O)c(CNC(=O)NCC[N@H+](C)C2CC2)c1 ZINC000734070459 575155656 /nfs/dbraw/zinc/15/56/56/575155656.db2.gz WDYQORBAWXYPOR-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000773800316 575839269 /nfs/dbraw/zinc/83/92/69/575839269.db2.gz LKLWDCMRUNEUKW-CQSZACIVSA-N 1 0 297.424 1.006 20 10 CDCDRO COC(=O)C[C@]1([NH2+]Cc2cccc(OC)c2O)CCOC1 ZINC000766470292 576105233 /nfs/dbraw/zinc/10/52/33/576105233.db2.gz SUFRXDWDJSFKKD-OAHLLOKOSA-N 1 0 295.335 1.213 20 10 CDCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000767776836 576228522 /nfs/dbraw/zinc/22/85/22/576228522.db2.gz YGEZXXFGELJUCG-RYUDHWBXSA-N 1 0 292.379 1.629 20 10 CDCDRO COC(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768152387 576261551 /nfs/dbraw/zinc/26/15/51/576261551.db2.gz NPISMAKBGBMQTA-UHFFFAOYSA-N 1 0 279.336 1.786 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000768193686 576263970 /nfs/dbraw/zinc/26/39/70/576263970.db2.gz IXJXTTHXMAMAQY-UHFFFAOYSA-N 1 0 274.364 1.755 20 10 CDCDRO CN1CC[C@H]([N@H+](C)Cc2cc3c(cc2O)CCCC3)C1=O ZINC000768445747 576283819 /nfs/dbraw/zinc/28/38/19/576283819.db2.gz IWAAARIILVKRDM-HNNXBMFYSA-N 1 0 288.391 1.934 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000768453428 576285786 /nfs/dbraw/zinc/28/57/86/576285786.db2.gz WXIROHUHWVHMKC-RNCFNFMXSA-N 1 0 281.377 1.755 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(N)=O)cc1 ZINC000741677891 576567184 /nfs/dbraw/zinc/56/71/84/576567184.db2.gz DWVFFKOQIBWIEY-GFCCVEGCSA-N 1 0 263.385 1.838 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000754741605 576913367 /nfs/dbraw/zinc/91/33/67/576913367.db2.gz LWHPVWQQELOXNQ-GFCCVEGCSA-N 1 0 278.352 1.372 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CC2(CO)COC2)c2c1c(F)ccc2O ZINC000756759872 577003342 /nfs/dbraw/zinc/00/33/42/577003342.db2.gz NCGIJUCAVGRDFD-ONGXEEELSA-N 1 0 281.327 1.678 20 10 CDCDRO Cc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)ncn1 ZINC000756989871 577018952 /nfs/dbraw/zinc/01/89/52/577018952.db2.gz IJDDBKALVAOCSW-UHFFFAOYSA-N 1 0 273.292 1.509 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000759174485 577157229 /nfs/dbraw/zinc/15/72/29/577157229.db2.gz UFJPWOARZHGPFE-IAQYHMDHSA-N 1 0 295.335 1.405 20 10 CDCDRO CC[N@H+](CCCO)Cc1ccc(OC)c(OC)c1O ZINC000892110532 617488236 /nfs/dbraw/zinc/48/82/36/617488236.db2.gz CKBUJXQSRDTVMQ-UHFFFAOYSA-N 1 0 269.341 1.614 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NC(C)C)c1 ZINC000840974240 617933307 /nfs/dbraw/zinc/93/33/07/617933307.db2.gz CCVPOWPCJNGWMY-NSHDSACASA-N 1 0 280.368 1.794 20 10 CDCDRO COc1ccc(C[N@H+](C)[C@H]2CCOC2)c(O)c1OC ZINC000891935901 617799309 /nfs/dbraw/zinc/79/93/09/617799309.db2.gz SDVLSGMUXUBJAI-NSHDSACASA-N 1 0 267.325 1.630 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1O ZINC000893945541 618211968 /nfs/dbraw/zinc/21/19/68/618211968.db2.gz DWSFVESXHQXEEU-VXGBXAGGSA-N 1 0 292.379 1.795 20 10 CDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893964283 618224092 /nfs/dbraw/zinc/22/40/92/618224092.db2.gz QEXKVNXKACFXSZ-SNVBAGLBSA-N 1 0 296.367 1.366 20 10 CDCDRO COC(=O)N1CC(C)([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000893971374 618229979 /nfs/dbraw/zinc/22/99/79/618229979.db2.gz DPECSXFGVDKINS-UHFFFAOYSA-N 1 0 290.363 1.942 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C(C)C)C2=O)c1O ZINC000894275881 618410641 /nfs/dbraw/zinc/41/06/41/618410641.db2.gz JRZUJGWCRRGXTH-ZDUSSCGKSA-N 1 0 292.379 1.808 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cscn2)cc1 ZINC000841042411 618678077 /nfs/dbraw/zinc/67/80/77/618678077.db2.gz JKPIIKTUVRKCLG-AWEZNQCLSA-N 1 0 276.409 1.999 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+][C@H](C)[C@H]2C)cc1OC ZINC000843057817 618691956 /nfs/dbraw/zinc/69/19/56/618691956.db2.gz LVOCMMDCIYRZKL-GHMZBOCLSA-N 1 0 280.368 1.592 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(OC)CCOCC2)c1O ZINC000894359981 618820404 /nfs/dbraw/zinc/82/04/04/618820404.db2.gz WEFHZYVCASDMTI-UHFFFAOYSA-N 1 0 295.379 1.994 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(O)c1OC ZINC000894519518 618937446 /nfs/dbraw/zinc/93/74/46/618937446.db2.gz LIDAHXXDLRPLIB-JTQLQIEISA-N 1 0 294.351 1.107 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCCCCO)c1O ZINC000894595161 618986132 /nfs/dbraw/zinc/98/61/32/618986132.db2.gz AORCABPXYRADOE-UHFFFAOYSA-N 1 0 253.342 1.961 20 10 CDCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H](C)O ZINC000894736274 619034219 /nfs/dbraw/zinc/03/42/19/619034219.db2.gz SPPRQYCDAVABON-MWLCHTKSSA-N 1 0 269.341 1.658 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2COCO2)c1O ZINC000894869859 619111459 /nfs/dbraw/zinc/11/14/59/619111459.db2.gz FSDITFUJGWRHSJ-LLVKDONJSA-N 1 0 253.298 1.253 20 10 CDCDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1COCO1 ZINC000894890166 619124827 /nfs/dbraw/zinc/12/48/27/619124827.db2.gz RFSKWLSZHQDFRX-SNVBAGLBSA-N 1 0 288.141 1.617 20 10 CDCDRO COc1ccc(C[NH2+][C@H](CO)CCF)c(O)c1OC ZINC000895177096 619424984 /nfs/dbraw/zinc/42/49/84/619424984.db2.gz FLBXXMDWSCRXNM-JTQLQIEISA-N 1 0 273.304 1.220 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1([NH3+])CCC1 ZINC000147887461 620039840 /nfs/dbraw/zinc/03/98/40/620039840.db2.gz QPGGIDUQMDMAEO-UHFFFAOYSA-N 1 0 275.396 1.983 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(OC)ccc1O ZINC000896622072 620171032 /nfs/dbraw/zinc/17/10/32/620171032.db2.gz SYOLOVDNDADUSU-AWEZNQCLSA-N 1 0 294.395 1.601 20 10 CDCDRO CCOCCOCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000897205500 620418054 /nfs/dbraw/zinc/41/80/54/620418054.db2.gz XXVRRXZPQOGXLX-UHFFFAOYSA-N 1 0 283.368 1.852 20 10 CDCDRO C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000841761666 621019824 /nfs/dbraw/zinc/01/98/24/621019824.db2.gz RCGYBTRTDDLKOH-GFCCVEGCSA-N 1 0 294.374 1.395 20 10 CDCDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O ZINC000897683566 621071042 /nfs/dbraw/zinc/07/10/42/621071042.db2.gz DVPJXNFIGTUVAH-BLLLJJGKSA-N 1 0 294.370 1.475 20 10 CDCDRO Cc1c[nH]nc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841040952 621539843 /nfs/dbraw/zinc/53/98/43/621539843.db2.gz DDGJGPOABFFMDS-AWEZNQCLSA-N 1 0 273.384 1.574 20 10 CDCDRO CCn1ccnc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041123 621543422 /nfs/dbraw/zinc/54/34/22/621543422.db2.gz ADCVCIYJBHEBJD-HNNXBMFYSA-N 1 0 287.411 1.759 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)[C@@H](C)O)cc1 ZINC000929185738 621563994 /nfs/dbraw/zinc/56/39/94/621563994.db2.gz YEOXZYPRYBLPHX-CZUORRHYSA-N 1 0 280.412 1.706 20 10 CDCDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000907059065 627513766 /nfs/dbraw/zinc/51/37/66/627513766.db2.gz FLMJYCUAURHPCC-CYBMUJFWSA-N 1 0 292.379 1.836 20 10 CDCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(O)cc1O ZINC000910951835 629115311 /nfs/dbraw/zinc/11/53/11/629115311.db2.gz WAIDOGAVHIQWLH-QWRGUYRKSA-N 1 0 278.352 1.587 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)CCOC2)cc1 ZINC000911667934 629386983 /nfs/dbraw/zinc/38/69/83/629386983.db2.gz UNKLDIXERKPFGR-HOCLYGCPSA-N 1 0 291.395 1.295 20 10 CDCDRO CC[N@H+](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001752138823 1159443562 /nfs/dbraw/zinc/44/35/62/1159443562.db2.gz YNYFMXKUSMRGCU-UHFFFAOYSA-N 1 0 291.355 1.921 20 10 CDCDRO C[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)C[C@H]1[NH3+] ZINC000300081363 1160981579 /nfs/dbraw/zinc/98/15/79/1160981579.db2.gz AONNQJDVVCGLAT-IUODEOHRSA-N 1 0 259.397 1.848 20 10 CDCDRO C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000794672467 1164533617 /nfs/dbraw/zinc/53/36/17/1164533617.db2.gz LAHJRNSLYOHTBY-HOCLYGCPSA-N 1 0 293.363 1.555 20 10 CDCDRO O=C1NCCC12CC[NH+](Cc1ccccc1O)CC2 ZINC000877783067 1166099632 /nfs/dbraw/zinc/09/96/32/1166099632.db2.gz BOQACOFCCGKJEA-UHFFFAOYSA-N 1 0 260.337 1.494 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877785560 1166100283 /nfs/dbraw/zinc/10/02/83/1166100283.db2.gz ZQHODQPURMDQDR-UHFFFAOYSA-N 1 0 278.352 1.590 20 10 CDCDRO Cc1cncc(N(Cc2ncc[nH]2)C(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC001579824892 1172274149 /nfs/dbraw/zinc/27/41/49/1172274149.db2.gz MMHGMPKDWQXHOZ-CYBMUJFWSA-N 1 0 297.362 1.694 20 10 CDCDRO C[N@@H+]1CCN(C(=O)Cc2ccc(N)cc2)CC1(C)C ZINC000104132056 1174692540 /nfs/dbraw/zinc/69/25/40/1174692540.db2.gz QAEKIONFHRDGHZ-UHFFFAOYSA-N 1 0 261.369 1.364 20 10 CDCDRO COCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001755223177 1185862387 /nfs/dbraw/zinc/86/23/87/1185862387.db2.gz HIDAHHQKARFLJS-STQMWFEESA-N 1 0 294.395 1.633 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000312158507 1186694397 /nfs/dbraw/zinc/69/43/97/1186694397.db2.gz KUPOWPBMJWNCIW-HNNXBMFYSA-N 1 0 278.396 1.774 20 10 CDCDRO CCOc1cccc(C[NH2+]CCCn2cncn2)c1O ZINC000381752619 823717946 /nfs/dbraw/zinc/71/79/46/823717946.db2.gz FCNIMPAAKFEMGH-UHFFFAOYSA-N 1 0 276.340 1.562 20 10 CDCDRO CCOc1ccc(C[N@H+](CC)[C@H](C)CO)c(O)c1 ZINC000814169921 828346429 /nfs/dbraw/zinc/34/64/29/828346429.db2.gz OLJHUFRFLYSNSR-LLVKDONJSA-N 1 0 253.342 1.994 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1 ZINC000877545823 828355032 /nfs/dbraw/zinc/35/50/32/828355032.db2.gz MIIDUZUBTMPEIK-ZDUSSCGKSA-N 1 0 298.408 1.166 20 10 CDCDRO Cc1ccc(C[NH2+]CCN2CCOCC2(C)C)c(O)c1 ZINC000877147891 828375519 /nfs/dbraw/zinc/37/55/19/828375519.db2.gz CUFKRXNWTQALNP-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000872142393 828416367 /nfs/dbraw/zinc/41/63/67/828416367.db2.gz SQQYSWKKTSWEGT-KCPJHIHWSA-N 1 0 264.369 1.553 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@@H](CO)C(C)C)cc1OC ZINC000809724106 828449568 /nfs/dbraw/zinc/44/95/68/828449568.db2.gz WCIAGSSZLZRAIR-LBPRGKRZSA-N 1 0 283.368 1.764 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cnc(N(C)C)nc2)c(O)c1 ZINC000793386496 822663083 /nfs/dbraw/zinc/66/30/83/822663083.db2.gz UBDWXSHYHWBQQI-UHFFFAOYSA-N 1 0 288.351 1.547 20 10 CDCDRO CC[NH2+]CCCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841759408 822670373 /nfs/dbraw/zinc/67/03/73/822670373.db2.gz FSJPWOZJJNZIBO-UHFFFAOYSA-N 1 0 296.390 1.691 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000870988711 822680417 /nfs/dbraw/zinc/68/04/17/822680417.db2.gz XNGDEOATOKECQJ-RAIGVLPGSA-N 1 0 262.353 1.958 20 10 CDCDRO C[NH2+]CCCC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846696234 822689357 /nfs/dbraw/zinc/68/93/57/822689357.db2.gz CTMRSIYDPLDQKR-UHFFFAOYSA-N 1 0 293.411 1.589 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000870974158 822715473 /nfs/dbraw/zinc/71/54/73/822715473.db2.gz IHDCOHWMQPQNMV-YOWGUQMCSA-N 1 0 273.380 1.458 20 10 CDCDRO CCOc1ccc(CNC[C@@H]2CCC[NH2+]2)c(O)c1 ZINC000841035121 822718366 /nfs/dbraw/zinc/71/83/66/822718366.db2.gz HOYAIKMOVANRSA-LBPRGKRZSA-N 1 0 250.342 1.633 20 10 CDCDRO C[NH2+]CCC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828667902 828534133 /nfs/dbraw/zinc/53/41/33/828534133.db2.gz WFMHBSIWFUHSQJ-SECBINFHSA-N 1 0 252.314 1.188 20 10 CDCDRO Cc1n[nH]c(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)n1 ZINC000790982762 828542249 /nfs/dbraw/zinc/54/22/49/828542249.db2.gz YJSPKWNZXHOOIO-UHFFFAOYSA-N 1 0 284.722 1.944 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000846674294 828577012 /nfs/dbraw/zinc/57/70/12/828577012.db2.gz WEYXNPYUZYLJKP-CYBMUJFWSA-N 1 0 293.386 1.898 20 10 CDCDRO CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C[NH3+])C2)c1O ZINC000843367733 823861098 /nfs/dbraw/zinc/86/10/98/823861098.db2.gz JBBWZSLCJCAZSX-GFCCVEGCSA-N 1 0 298.770 1.408 20 10 CDCDRO COc1c(O)c(CN2CC[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000843052048 823891617 /nfs/dbraw/zinc/89/16/17/823891617.db2.gz PAGJPOKFCZGIDL-ONGXEEELSA-N 1 0 295.339 1.478 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000826019504 823959947 /nfs/dbraw/zinc/95/99/47/823959947.db2.gz HFSLPIYMLJPIIZ-CABCVRRESA-N 1 0 275.396 1.838 20 10 CDCDRO C[C@H](O)CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775701019 823984533 /nfs/dbraw/zinc/98/45/33/823984533.db2.gz ALVMDNBQMWRJBN-HNNXBMFYSA-N 1 0 291.439 1.641 20 10 CDCDRO [NH3+]CC1(O)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000841107296 824078182 /nfs/dbraw/zinc/07/81/82/824078182.db2.gz FFLYWXWZZZZQKU-UHFFFAOYSA-N 1 0 288.750 1.470 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000817943296 824148597 /nfs/dbraw/zinc/14/85/97/824148597.db2.gz UCWRQSWAMTWZDC-BHTHQVBYSA-N 1 0 277.412 1.908 20 10 CDCDRO CO[C@]1(C[NH2+][C@H](C)c2ccccc2O)CCOC1 ZINC000123273931 824162366 /nfs/dbraw/zinc/16/23/66/824162366.db2.gz VVBMCXOHQDRXEL-RISCZKNCSA-N 1 0 251.326 1.848 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841946750 824203687 /nfs/dbraw/zinc/20/36/87/824203687.db2.gz KWUFZJONXRLOKP-GFCCVEGCSA-N 1 0 263.341 1.271 20 10 CDCDRO CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)[NH+](C)C ZINC000778929183 824234875 /nfs/dbraw/zinc/23/48/75/824234875.db2.gz GLMCZWBQIMHKSK-CYBMUJFWSA-N 1 0 266.341 1.300 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000840974822 824261078 /nfs/dbraw/zinc/26/10/78/824261078.db2.gz HVBAGSMOEVVPLF-HOCLYGCPSA-N 1 0 278.396 1.236 20 10 CDCDRO O=S(=O)(CC[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000840964462 824271882 /nfs/dbraw/zinc/27/18/82/824271882.db2.gz LPSOBUKDIBVZAO-UHFFFAOYSA-N 1 0 281.377 1.288 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1c(C)cccc1O ZINC000877116838 824283096 /nfs/dbraw/zinc/28/30/96/824283096.db2.gz XSCHNVGIQYVVRF-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000083514557 824286697 /nfs/dbraw/zinc/28/66/97/824286697.db2.gz XJEXZIKALTVOIE-LLVKDONJSA-N 1 0 269.366 1.225 20 10 CDCDRO CN(C)c1ccc(CNC(=[NH2+])NCC2CC2)cc1F ZINC000887353040 824302375 /nfs/dbraw/zinc/30/23/75/824302375.db2.gz ZBBAMVHJHFOPMI-UHFFFAOYSA-N 1 0 264.348 1.916 20 10 CDCDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000841654031 824322738 /nfs/dbraw/zinc/32/27/38/824322738.db2.gz LYIGJCBVUWMDQJ-JSGCOSHPSA-N 1 0 290.411 1.631 20 10 CDCDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000848567204 824370665 /nfs/dbraw/zinc/37/06/65/824370665.db2.gz QTJDTICBEJNFHC-CYBMUJFWSA-N 1 0 284.363 1.397 20 10 CDCDRO c1cnc(CC[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000390240753 824377970 /nfs/dbraw/zinc/37/79/70/824377970.db2.gz UUKFCSWHWYCPQK-UHFFFAOYSA-N 1 0 255.321 1.744 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000840963747 824389166 /nfs/dbraw/zinc/38/91/66/824389166.db2.gz DTGZIQVFZGEQRB-UHFFFAOYSA-N 1 0 282.409 1.419 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000827914022 824409714 /nfs/dbraw/zinc/40/97/14/824409714.db2.gz VOWKITAREPJZOG-SWLSCSKDSA-N 1 0 287.407 1.683 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1COCCO1 ZINC000083552031 824469488 /nfs/dbraw/zinc/46/94/88/824469488.db2.gz UTKDBYLWLTWIMO-SECBINFHSA-N 1 0 257.717 1.551 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c(O)c1 ZINC000877607593 824522838 /nfs/dbraw/zinc/52/28/38/824522838.db2.gz DPSMADVQQSNORN-OLZOCXBDSA-N 1 0 276.336 1.631 20 10 CDCDRO O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccccc1O ZINC000228420533 824531982 /nfs/dbraw/zinc/53/19/82/824531982.db2.gz KXYHIHPXADOQNV-LLVKDONJSA-N 1 0 266.366 1.104 20 10 CDCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000180869989 824544106 /nfs/dbraw/zinc/54/41/06/824544106.db2.gz TWSIMHDGCLABGH-VHSXEESVSA-N 1 0 265.309 1.324 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@H]1O ZINC000826084214 824899638 /nfs/dbraw/zinc/89/96/38/824899638.db2.gz YCGMVDUGEYBOPF-CHWSQXEVSA-N 1 0 271.744 1.546 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000211633547 824965735 /nfs/dbraw/zinc/96/57/35/824965735.db2.gz NXXKHUUMBDDFPZ-LBPRGKRZSA-N 1 0 276.336 1.207 20 10 CDCDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659205 824974374 /nfs/dbraw/zinc/97/43/74/824974374.db2.gz SUYTUXLASWWKBN-HNNXBMFYSA-N 1 0 275.396 1.802 20 10 CDCDRO CCN1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000391527326 825088540 /nfs/dbraw/zinc/08/85/40/825088540.db2.gz FMYMCCZVBXXSIV-NEPJUHHUSA-N 1 0 260.337 1.590 20 10 CDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000852807337 828732714 /nfs/dbraw/zinc/73/27/14/828732714.db2.gz SYHWQQUPFARRAL-AWEZNQCLSA-N 1 0 263.385 1.675 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000132924732 825140339 /nfs/dbraw/zinc/14/03/39/825140339.db2.gz NOTFZDOSTPXZEO-BXUZGUMPSA-N 1 0 261.369 1.410 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[NH3+])cc1 ZINC000841718246 825167015 /nfs/dbraw/zinc/16/70/15/825167015.db2.gz QCSCXPMGHMUZGV-LBPRGKRZSA-N 1 0 278.400 1.679 20 10 CDCDRO COc1ccc(CNC(=[NH2+])NCC(C)C)c(O)c1 ZINC000849024882 825228071 /nfs/dbraw/zinc/22/80/71/825228071.db2.gz DDAFKXBXDGYVMD-UHFFFAOYSA-N 1 0 251.330 1.671 20 10 CDCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)ccc1N(C)C ZINC000839665047 825282792 /nfs/dbraw/zinc/28/27/92/825282792.db2.gz GLJSIWJQFKWVFX-GOEBONIOSA-N 1 0 278.396 1.236 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1c(O)cccc1Cl ZINC000083551909 825353181 /nfs/dbraw/zinc/35/31/81/825353181.db2.gz XRBVQRRGVUKZGY-LLVKDONJSA-N 1 0 284.787 1.856 20 10 CDCDRO OCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000133136534 825482209 /nfs/dbraw/zinc/48/22/09/825482209.db2.gz WMKWSYNNCCCRDO-UHFFFAOYSA-N 1 0 276.380 1.528 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C(C)(C)C[NH3+])cc1F ZINC000237056325 825577095 /nfs/dbraw/zinc/57/70/95/825577095.db2.gz WGSHMSZJOMWIKK-UHFFFAOYSA-N 1 0 267.348 1.493 20 10 CDCDRO O=C(CO)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311186 828802298 /nfs/dbraw/zinc/80/22/98/828802298.db2.gz WUUSETDNUWVITB-GFCCVEGCSA-N 1 0 298.770 1.119 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC000323686840 825600544 /nfs/dbraw/zinc/60/05/44/825600544.db2.gz OWULWPYTRLGYEV-CABCVRRESA-N 1 0 264.369 1.382 20 10 CDCDRO [O-]c1c(F)cccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843125180 825621875 /nfs/dbraw/zinc/62/18/75/825621875.db2.gz ZROCDYXNFUVYIZ-ZDUSSCGKSA-N 1 0 279.359 1.011 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000788971983 825688826 /nfs/dbraw/zinc/68/88/26/825688826.db2.gz STJDNAGWNGKDCW-GHMZBOCLSA-N 1 0 251.326 1.651 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCNC(=O)CC2)c1 ZINC000828682124 828814347 /nfs/dbraw/zinc/81/43/47/828814347.db2.gz IRKYPAPFQJLGFI-VXGBXAGGSA-N 1 0 292.379 1.968 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000832219265 825747768 /nfs/dbraw/zinc/74/77/68/825747768.db2.gz BUUVYQQVVJODTN-AMIZOPFISA-N 1 0 267.300 1.689 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CC[NH3+])c1 ZINC000841968089 828819828 /nfs/dbraw/zinc/81/98/28/828819828.db2.gz TWGWOCFIOXDXRR-ZJUUUORDSA-N 1 0 281.356 1.498 20 10 CDCDRO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647340 825800947 /nfs/dbraw/zinc/80/09/47/825800947.db2.gz BCNDBAFOJISWGJ-WDEREUQCSA-N 1 0 250.342 1.958 20 10 CDCDRO COCCNCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000817964539 825803923 /nfs/dbraw/zinc/80/39/23/825803923.db2.gz FAEOJZKJYOIBAY-ZDUSSCGKSA-N 1 0 266.385 1.896 20 10 CDCDRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000841988175 825835127 /nfs/dbraw/zinc/83/51/27/825835127.db2.gz ZHSQCQPIGHCEIC-GHMZBOCLSA-N 1 0 295.383 1.759 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](C(=O)OC)C2)c1O ZINC000827500605 825860611 /nfs/dbraw/zinc/86/06/11/825860611.db2.gz FJVHZSFRSJOCJJ-BETUJISGSA-N 1 0 263.337 1.996 20 10 CDCDRO CCN(CC)c1ccc(CN2CCO[C@H](C[NH3+])C2)cc1 ZINC000843068830 825868548 /nfs/dbraw/zinc/86/85/48/825868548.db2.gz MVTBOZYBYAFUHK-MRXNPFEDSA-N 1 0 277.412 1.692 20 10 CDCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCC[C@@H]1O)OCO2 ZINC000323289155 825916392 /nfs/dbraw/zinc/91/63/92/825916392.db2.gz NKFVWYGDGLIIPJ-UWVGGRQHSA-N 1 0 251.282 1.124 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CNCCO2)c1 ZINC000817983259 826047854 /nfs/dbraw/zinc/04/78/54/826047854.db2.gz LGISCAKTCMCQPL-VXGBXAGGSA-N 1 0 250.342 1.340 20 10 CDCDRO O=C1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)CC[C@@H]2N1 ZINC000827132757 826055555 /nfs/dbraw/zinc/05/55/55/826055555.db2.gz OFIFAWZOQHSRKG-GWCFXTLKSA-N 1 0 278.327 1.632 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1O ZINC000069142854 826069356 /nfs/dbraw/zinc/06/93/56/826069356.db2.gz XHQDVIHURPAIMC-NSHDSACASA-N 1 0 285.365 1.068 20 10 CDCDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000748445478 826117918 /nfs/dbraw/zinc/11/79/18/826117918.db2.gz ZDHZEIMYEKESBS-ZDUSSCGKSA-N 1 0 291.395 1.922 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852870211 826144840 /nfs/dbraw/zinc/14/48/40/826144840.db2.gz BQQQJSIUTUIQMW-GJZGRUSLSA-N 1 0 291.395 1.041 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882650 826234248 /nfs/dbraw/zinc/23/42/48/826234248.db2.gz MCTZQJQNFOBNHF-AAEUAGOBSA-N 1 0 276.384 1.475 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)[NH3+])c1 ZINC000828666827 826320997 /nfs/dbraw/zinc/32/09/97/826320997.db2.gz JJJCEZUKOUWULN-MRVPVSSYSA-N 1 0 252.314 1.315 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCOC[C@H]1OC ZINC000824709198 826338853 /nfs/dbraw/zinc/33/88/53/826338853.db2.gz OOWTTXQAPQXADK-XHDPSFHLSA-N 1 0 281.352 1.542 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([NH3+])CCCC2)c1 ZINC000843489463 826352826 /nfs/dbraw/zinc/35/28/26/826352826.db2.gz PHFALMNIVPVODU-SNVBAGLBSA-N 1 0 278.352 1.850 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)C[N@H+](C)C(C)C)c1 ZINC000103529290 826357586 /nfs/dbraw/zinc/35/75/86/826357586.db2.gz NRHYRDYAQWMEMS-NSHDSACASA-N 1 0 280.368 1.918 20 10 CDCDRO CC[C@H]([NH2+]CCC(=O)N(C)C)c1ccccc1O ZINC000037751596 826384435 /nfs/dbraw/zinc/38/44/35/826384435.db2.gz UFGHFNZHRQQEEV-LBPRGKRZSA-N 1 0 250.342 1.911 20 10 CDCDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824709946 826388407 /nfs/dbraw/zinc/38/84/07/826388407.db2.gz TUNJIXXLECZYLC-HOCLYGCPSA-N 1 0 277.364 1.763 20 10 CDCDRO COc1cc(O)c(CN(C)CC(C)(C)[NH3+])cc1OC ZINC000849350748 826390750 /nfs/dbraw/zinc/39/07/50/826390750.db2.gz UXNVCOQSUKINTP-UHFFFAOYSA-N 1 0 268.357 1.579 20 10 CDCDRO COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(C)cc1O ZINC000877460628 826408004 /nfs/dbraw/zinc/40/80/04/826408004.db2.gz VIALJLNNHLRYIR-TZMCWYRMSA-N 1 0 279.336 1.199 20 10 CDCDRO OC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816509690 826477573 /nfs/dbraw/zinc/47/75/73/826477573.db2.gz YXSYIIOGVUACAG-AWEZNQCLSA-N 1 0 273.332 1.739 20 10 CDCDRO COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](C)[NH3+])C2)cc1 ZINC000831752822 826570195 /nfs/dbraw/zinc/57/01/95/826570195.db2.gz FLPQDNGVKYDWSK-CHWSQXEVSA-N 1 0 291.395 1.375 20 10 CDCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818964482 826622665 /nfs/dbraw/zinc/62/26/65/826622665.db2.gz XOVDGBGFZZJUPY-OAHLLOKOSA-N 1 0 296.436 1.337 20 10 CDCDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)NC1CCC1 ZINC000848991139 826667199 /nfs/dbraw/zinc/66/71/99/826667199.db2.gz GWUMYYLRNNMKNA-UHFFFAOYSA-N 1 0 288.395 1.690 20 10 CDCDRO C[N@H+](CCOCC[NH3+])Cc1cccc(Cl)c1[O-] ZINC000863651919 826725260 /nfs/dbraw/zinc/72/52/60/826725260.db2.gz PEHWWVRPPZCEGB-UHFFFAOYSA-N 1 0 258.749 1.453 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@H](CN)C(C)(C)C)c1 ZINC000841086993 826761357 /nfs/dbraw/zinc/76/13/57/826761357.db2.gz HMVNFKNFSATLAT-CYBMUJFWSA-N 1 0 252.358 1.864 20 10 CDCDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000828015727 826812428 /nfs/dbraw/zinc/81/24/28/826812428.db2.gz LDGANTIXLXVMIE-SWLSCSKDSA-N 1 0 262.353 1.916 20 10 CDCDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc(F)ccc1O)C2 ZINC000857226573 826825757 /nfs/dbraw/zinc/82/57/57/826825757.db2.gz RQWLKAKLISWQHU-FZMZJTMJSA-N 1 0 250.317 1.845 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnnn1C ZINC000924575235 826828345 /nfs/dbraw/zinc/82/83/45/826828345.db2.gz SSPOGVWWDVUWMH-LLVKDONJSA-N 1 0 259.357 1.732 20 10 CDCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127492 826853483 /nfs/dbraw/zinc/85/34/83/826853483.db2.gz RRFQFIXYBNAJFS-GXFFZTMASA-N 1 0 250.317 1.715 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC000848918197 826875013 /nfs/dbraw/zinc/87/50/13/826875013.db2.gz SAEDCIZEZWRWOP-KGLIPLIRSA-N 1 0 265.353 1.130 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CN(C)CCO1 ZINC000834685490 826887440 /nfs/dbraw/zinc/88/74/40/826887440.db2.gz XNCVODUOSDWKDC-CORIIIEPSA-N 1 0 276.380 1.688 20 10 CDCDRO C[C@@H]([NH2+]CC1OCCO1)c1ccc(N2CCOCC2)cc1 ZINC000777722495 826895787 /nfs/dbraw/zinc/89/57/87/826895787.db2.gz TZPKYUHOBLLBGL-CYBMUJFWSA-N 1 0 292.379 1.547 20 10 CDCDRO COC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)OC ZINC000227705619 826898064 /nfs/dbraw/zinc/89/80/64/826898064.db2.gz MIIKOQAGUHAMOA-NSHDSACASA-N 1 0 259.733 1.797 20 10 CDCDRO CN(CC[NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709051 827103682 /nfs/dbraw/zinc/10/36/82/827103682.db2.gz ACUFTLVYJRJQFI-UHFFFAOYSA-N 1 0 276.384 1.387 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000841947071 827358360 /nfs/dbraw/zinc/35/83/60/827358360.db2.gz MTJYOSYSJHBZEY-OAHLLOKOSA-N 1 0 290.411 1.631 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(F)ccc1O ZINC000094617776 827378222 /nfs/dbraw/zinc/37/82/22/827378222.db2.gz BDASQGKJRDNOHA-MWLCHTKSSA-N 1 0 255.289 1.597 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000829764414 827411927 /nfs/dbraw/zinc/41/19/27/827411927.db2.gz KMSDNGVFFXRDOH-CQSZACIVSA-N 1 0 291.395 1.056 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C[C@H]2CCCO2)c1O ZINC000886672353 827470284 /nfs/dbraw/zinc/47/02/84/827470284.db2.gz MVMHAEMWTGFFPQ-RWMBFGLXSA-N 1 0 295.379 1.981 20 10 CDCDRO C[C@@H](C[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817970028 827527525 /nfs/dbraw/zinc/52/75/25/827527525.db2.gz JOQBGXUHCWVDMT-RYUDHWBXSA-N 1 0 281.375 1.660 20 10 CDCDRO COc1cccc(CN2CC[C@]3(CCC[NH2+]3)C2)c1O ZINC000841105251 827550502 /nfs/dbraw/zinc/55/05/02/827550502.db2.gz CRNLFKBAFRAWFV-OAHLLOKOSA-N 1 0 262.353 1.729 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CCOC2)cc1 ZINC000832273359 827824159 /nfs/dbraw/zinc/82/41/59/827824159.db2.gz NPOCTBLQTGRZMS-SWLSCSKDSA-N 1 0 291.395 1.295 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000182447109 827847944 /nfs/dbraw/zinc/84/79/44/827847944.db2.gz LAZHNNWFVCVNIV-NEPJUHHUSA-N 1 0 291.351 1.309 20 10 CDCDRO C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000841882310 827876773 /nfs/dbraw/zinc/87/67/73/827876773.db2.gz INLBQLGLUMQJJR-STQMWFEESA-N 1 0 290.411 1.804 20 10 CDCDRO O=C(C[NH2+]C1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000238145634 827884684 /nfs/dbraw/zinc/88/46/84/827884684.db2.gz RVAZXVSREHDZLZ-UHFFFAOYSA-N 1 0 274.364 1.639 20 10 CDCDRO COc1ccc(C[NH2+]Cc2cn(C)nc2C)c(O)c1 ZINC000168691848 828005558 /nfs/dbraw/zinc/00/55/58/828005558.db2.gz ZOURHOSYYHSQRU-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO COc1cc(O)c(C[N@H+](CCO)CC2CC2)cc1OC ZINC000775661217 828018314 /nfs/dbraw/zinc/01/83/14/828018314.db2.gz LBCAVAUEVFUOAS-UHFFFAOYSA-N 1 0 281.352 1.614 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CCC(C)(C)[NH3+] ZINC000070087788 828024859 /nfs/dbraw/zinc/02/48/59/828024859.db2.gz MFARZPAXYGAEOI-UHFFFAOYSA-N 1 0 250.342 1.868 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000840942484 828269857 /nfs/dbraw/zinc/26/98/57/828269857.db2.gz UMAHFRWLGMITAH-XHDPSFHLSA-N 1 0 275.396 1.675 20 10 CDCDRO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1O ZINC000879647990 828281269 /nfs/dbraw/zinc/28/12/69/828281269.db2.gz VBVJHJPFFAOLGY-LLVKDONJSA-N 1 0 274.320 1.952 20 10 CDCDRO COc1cccc(C[NH2+]CC[C@H]2CCOC2)c1O ZINC000230164699 912289557 /nfs/dbraw/zinc/28/95/57/912289557.db2.gz DOGOSUSHOCTVJD-NSHDSACASA-N 1 0 251.326 1.917 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc1 ZINC000698657624 912634803 /nfs/dbraw/zinc/63/48/03/912634803.db2.gz WRBNNDRNTBDHPN-CYBMUJFWSA-N 1 0 258.312 1.858 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001140178669 895202098 /nfs/dbraw/zinc/20/20/98/895202098.db2.gz TXRRMCVIOYIRPZ-TZMCWYRMSA-N 1 0 265.353 1.184 20 10 CDCDRO COc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c(O)c1 ZINC000399478438 896549485 /nfs/dbraw/zinc/54/94/85/896549485.db2.gz DHTIIIXSOMGZKL-NSHDSACASA-N 1 0 251.326 1.869 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1O ZINC001140741662 898158850 /nfs/dbraw/zinc/15/88/50/898158850.db2.gz ACQCFFQGXBZMMR-CMPLNLGQSA-N 1 0 269.316 1.559 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206140428 910818858 /nfs/dbraw/zinc/81/88/58/910818858.db2.gz YDAYSMLAQOYEEV-NSHDSACASA-N 1 0 285.338 1.627 20 10 CDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001178695643 915583315 /nfs/dbraw/zinc/58/33/15/915583315.db2.gz LJVJDETXUOFTHE-CQSZACIVSA-N 1 0 274.364 1.761 20 10 CDCDRO COc1cc(O)c(CN2CC(C)(C[NH3+])C2)c(OC)c1 ZINC001206722411 936362634 /nfs/dbraw/zinc/36/26/34/936362634.db2.gz ALZGDEZAZMTGCR-UHFFFAOYSA-N 1 0 266.341 1.190 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)c1O ZINC000184724098 917697229 /nfs/dbraw/zinc/69/72/29/917697229.db2.gz DNHXSIDKLCKETO-UHFFFAOYSA-N 1 0 292.379 1.844 20 10 CDCDRO C[NH+](C)C1(C(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001182597415 917964489 /nfs/dbraw/zinc/96/44/89/917964489.db2.gz LAMLMXHUTXJPKZ-UHFFFAOYSA-N 1 0 260.337 1.371 20 10 CDCDRO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001138498847 936543064 /nfs/dbraw/zinc/54/30/64/936543064.db2.gz IVBYJXIYHBWZBV-IRXDYDNUSA-N 1 0 287.407 1.412 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCC(=O)CC3)cc2)CC1 ZINC001139408783 936617971 /nfs/dbraw/zinc/61/79/71/936617971.db2.gz QUZVXEQQEPRHHA-UHFFFAOYSA-N 1 0 287.407 1.603 20 10 CDCDRO C[N@@H+]1CCC[C@H](C(=O)N2CCc3cccc(O)c3C2)C1 ZINC001186354411 919991848 /nfs/dbraw/zinc/99/18/48/919991848.db2.gz ISSQUAANBQMAQL-ZDUSSCGKSA-N 1 0 274.364 1.619 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c1O ZINC001140742788 936748565 /nfs/dbraw/zinc/74/85/65/936748565.db2.gz ZAMQPUVICUSRDK-GXFFZTMASA-N 1 0 265.353 1.999 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(C)=O)C2)c(OC)c1 ZINC001141030981 936794957 /nfs/dbraw/zinc/79/49/57/936794957.db2.gz TTYOACCXYWPUTA-NSHDSACASA-N 1 0 279.336 1.820 20 10 CDCDRO CO[C@@H](C)C1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145360 936820054 /nfs/dbraw/zinc/82/00/54/936820054.db2.gz UZQYFHYEPYWOPF-LBPRGKRZSA-N 1 0 276.380 1.982 20 10 CDCDRO CC(C)(C(N)=O)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159238 936822090 /nfs/dbraw/zinc/82/20/90/936822090.db2.gz DHLDMFPXTHAOHB-UHFFFAOYSA-N 1 0 292.379 1.821 20 10 CDCDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(O)ccc3O)[C@H]2C1 ZINC001141160007 936822245 /nfs/dbraw/zinc/82/22/45/936822245.db2.gz OYGQJENBXVWNKI-RISCZKNCSA-N 1 0 262.353 1.624 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@](C)(O)C3)ccc21 ZINC001141140205 936818886 /nfs/dbraw/zinc/81/88/86/936818886.db2.gz JAZUVYKRPZEMIL-OAHLLOKOSA-N 1 0 262.353 1.472 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2cc(F)ccc2O)CCC1(F)F ZINC001205770768 924880587 /nfs/dbraw/zinc/88/05/87/924880587.db2.gz NYFXDXAUXRUWQE-SNVBAGLBSA-N 1 0 274.286 1.947 20 10 CDCDRO Oc1cc(F)c(F)cc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001142531422 937027444 /nfs/dbraw/zinc/02/74/44/937027444.db2.gz XBDPNKMZPLLFNW-SNVBAGLBSA-N 1 0 254.280 1.560 20 10 CDCDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000857084554 928660265 /nfs/dbraw/zinc/66/02/65/928660265.db2.gz VGIWAOUIJJWYHM-OLZOCXBDSA-N 1 0 260.337 1.590 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@]2(O)CCOC2)c1O ZINC000691482117 928997463 /nfs/dbraw/zinc/99/74/63/928997463.db2.gz JMCYVNXNVBFZBD-CQSZACIVSA-N 1 0 251.326 1.196 20 10 CDCDRO CCOC(=O)c1cc(N(C)C(C)(C)C[NH3+])cc2c1OCC2 ZINC001170059616 929239948 /nfs/dbraw/zinc/23/99/48/929239948.db2.gz OXUVZVYXBFHUDJ-UHFFFAOYSA-N 1 0 292.379 1.972 20 10 CDCDRO Oc1cccc(Cl)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000128344153 929654208 /nfs/dbraw/zinc/65/42/08/929654208.db2.gz OQTFDKYTENSPBV-UWVGGRQHSA-N 1 0 252.745 1.697 20 10 CDCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499839 931858997 /nfs/dbraw/zinc/85/89/97/931858997.db2.gz LDKNPKNEVAIJMQ-VHSXEESVSA-N 1 0 267.325 1.396 20 10 CDCDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144503869 931863669 /nfs/dbraw/zinc/86/36/69/931863669.db2.gz GNORCCMHLONRNK-JTQLQIEISA-N 1 0 267.325 1.804 20 10 CDCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001118239193 937607168 /nfs/dbraw/zinc/60/71/68/937607168.db2.gz AFKGQMMJZVLHJW-IAGOWNOFSA-N 1 0 290.407 1.868 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2occc2N)cc1 ZINC001118255867 937609331 /nfs/dbraw/zinc/60/93/31/937609331.db2.gz HFMRHSIYRRPZHZ-ZDUSSCGKSA-N 1 0 288.351 1.358 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1 ZINC000931653867 933603371 /nfs/dbraw/zinc/60/33/71/933603371.db2.gz IELYBXBCVWKUGT-CQSZACIVSA-N 1 0 275.396 1.757 20 10 CDCDRO CON1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000692178000 934624403 /nfs/dbraw/zinc/62/44/03/934624403.db2.gz NWWNZLIOFFAFLJ-UHFFFAOYSA-N 1 0 254.305 1.647 20 10 CDCDRO COC(=O)CC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258355652 934809481 /nfs/dbraw/zinc/80/94/81/934809481.db2.gz HPTYFDLFASSSQS-VIFPVBQESA-N 1 0 283.324 1.277 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC001120543112 937808234 /nfs/dbraw/zinc/80/82/34/937808234.db2.gz VSPCLSSPULYZEC-OAHLLOKOSA-N 1 0 290.411 1.976 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001276370029 935673021 /nfs/dbraw/zinc/67/30/21/935673021.db2.gz XNGYVIWQBRMARQ-XJKSGUPXSA-N 1 0 289.423 1.897 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)CC[NH2+]1 ZINC001120630644 937819619 /nfs/dbraw/zinc/81/96/19/937819619.db2.gz CCBLTFIQGNYQCG-ZWNOBZJWSA-N 1 0 262.357 1.209 20 10 CDCDRO Nc1ccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001120677166 937824761 /nfs/dbraw/zinc/82/47/61/937824761.db2.gz LWYRPZSGNMXFPC-OAHLLOKOSA-N 1 0 274.368 1.164 20 10 CDCDRO [NH3+]CCN(CCO)c1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001163836723 939339348 /nfs/dbraw/zinc/33/93/48/939339348.db2.gz GYMICWBYAQCEDT-UHFFFAOYSA-N 1 0 297.362 1.382 20 10 CDCDRO Oc1ccccc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001203563067 939693072 /nfs/dbraw/zinc/69/30/72/939693072.db2.gz UQXBTTCUNWRTGX-OAHLLOKOSA-N 1 0 276.380 1.689 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCCO1 ZINC001203599233 939695312 /nfs/dbraw/zinc/69/53/12/939695312.db2.gz DWYIMEHOIXRRLH-ZDUSSCGKSA-N 1 0 295.335 1.165 20 10 CDCDRO CCOc1cccc(C[N@H+](C)CCC2OCCO2)c1O ZINC001203614330 939696817 /nfs/dbraw/zinc/69/68/17/939696817.db2.gz XGSWLSCYGLCYGB-UHFFFAOYSA-N 1 0 281.352 1.986 20 10 CDCDRO COc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(O)c1 ZINC001203629269 939697564 /nfs/dbraw/zinc/69/75/64/939697564.db2.gz VGFQYPKGQUJRSV-UHFFFAOYSA-N 1 0 292.335 1.475 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203875560 939710600 /nfs/dbraw/zinc/71/06/00/939710600.db2.gz PWRAVNGETOHHNO-CQSZACIVSA-N 1 0 251.326 1.835 20 10 CDCDRO CCN(CCC[NH+](C)C)Cc1ccc(O)c(O)c1 ZINC001203881057 939711275 /nfs/dbraw/zinc/71/12/75/939711275.db2.gz LHRYFYKGUYOKFO-UHFFFAOYSA-N 1 0 252.358 1.871 20 10 CDCDRO CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937099 939715365 /nfs/dbraw/zinc/71/53/65/939715365.db2.gz KLFQETXMGOBSLV-AWEZNQCLSA-N 1 0 290.411 1.646 20 10 CDCDRO C[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)[C@@H]1CO ZINC001204276731 939751652 /nfs/dbraw/zinc/75/16/52/939751652.db2.gz PROCRQDLNUJGGL-GXFFZTMASA-N 1 0 251.326 1.691 20 10 CDCDRO COc1cc(C[NH+]2CCC(C)(C(N)=O)CC2)cc(O)c1O ZINC001204343811 939757888 /nfs/dbraw/zinc/75/78/88/939757888.db2.gz ATZJUONNMPQLLP-UHFFFAOYSA-N 1 0 294.351 1.194 20 10 CDCDRO COc1cc(CN2CC[C@@](C)([NH3+])C2)c(O)c(OC)c1 ZINC001204800694 939792337 /nfs/dbraw/zinc/79/23/37/939792337.db2.gz GEPILBWRKQYKBQ-CQSZACIVSA-N 1 0 266.341 1.333 20 10 CDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N2CCOCC2)cc1F ZINC001205182648 939832796 /nfs/dbraw/zinc/83/27/96/939832796.db2.gz GIJZXNHTEZNQCJ-MLGOLLRUSA-N 1 0 293.386 1.584 20 10 CDCDRO COc1ccc2ccc(O)c(CN3C[C@@H]([NH3+])[C@H](O)C3)c2c1 ZINC001205363623 939885789 /nfs/dbraw/zinc/88/57/89/939885789.db2.gz PILQIFOWPYGEAY-GDBMZVCRSA-N 1 0 288.347 1.058 20 10 CDCDRO Cc1c(O)ccc(CN2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205768913 939933970 /nfs/dbraw/zinc/93/39/70/939933970.db2.gz HFYVTBMJXZGYBD-LLVKDONJSA-N 1 0 286.322 1.822 20 10 CDCDRO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC001206221062 940000107 /nfs/dbraw/zinc/00/01/07/940000107.db2.gz FKEJEVIUUYCVNR-NSHDSACASA-N 1 0 260.259 1.858 20 10 CDCDRO CN1CCCc2cc(CN3C[C@H]([NH3+])C[C@@H](F)C3)ccc21 ZINC001206414593 940034972 /nfs/dbraw/zinc/03/49/72/940034972.db2.gz NNGIMMQETKXGSU-HUUCEWRRSA-N 1 0 277.387 1.940 20 10 CDCDRO CCOc1ccc(CN2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206736320 940082818 /nfs/dbraw/zinc/08/28/18/940082818.db2.gz BXPSSERGNPUMHS-UHFFFAOYSA-N 1 0 250.342 1.572 20 10 CDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(O)c(O)c1Cl)C2 ZINC001276527601 940185398 /nfs/dbraw/zinc/18/53/98/940185398.db2.gz SAJFGUXEGYMZEC-BDAKNGLRSA-N 1 0 296.754 1.527 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC000305201976 940872772 /nfs/dbraw/zinc/87/27/72/940872772.db2.gz NBFRQMQPXOTWLO-NSHDSACASA-N 1 0 251.326 1.605 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c(O)cc1O ZINC001231636499 942951337 /nfs/dbraw/zinc/95/13/37/942951337.db2.gz XDFPQKVMOPZXEX-GFCCVEGCSA-N 1 0 294.351 1.207 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)c(O)cc1O ZINC001231636541 942952372 /nfs/dbraw/zinc/95/23/72/942952372.db2.gz XPPKSDOGYAGIHM-NSHDSACASA-N 1 0 281.352 1.701 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(O)cc1O ZINC001231638370 942954376 /nfs/dbraw/zinc/95/43/76/942954376.db2.gz YSTYYHKFGLDSMR-CQSZACIVSA-N 1 0 281.352 1.842 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)cc1Cl ZINC001232258906 943190665 /nfs/dbraw/zinc/19/06/65/943190665.db2.gz CLIMUKMRPHYRHT-JOYOIKCWSA-N 1 0 275.707 1.656 20 10 CDCDRO COC(=O)CC1C[NH+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232838178 943415995 /nfs/dbraw/zinc/41/59/95/943415995.db2.gz BCAGIDFDDVCPKE-UHFFFAOYSA-N 1 0 278.352 1.453 20 10 CDCDRO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1O ZINC001232838739 943416205 /nfs/dbraw/zinc/41/62/05/943416205.db2.gz CUVJPJQQAOPERQ-AWEZNQCLSA-N 1 0 292.379 1.986 20 10 CDCDRO OC[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009809 943460100 /nfs/dbraw/zinc/46/01/00/943460100.db2.gz BZCZLOOVFSHQSI-JTQLQIEISA-N 1 0 267.325 1.398 20 10 CDCDRO Oc1cc(CN2CC[NH+](C3CCCC3)CC2)cc(O)c1O ZINC001233012146 943462060 /nfs/dbraw/zinc/46/20/60/943462060.db2.gz IXDCYPRYKBAVKU-UHFFFAOYSA-N 1 0 292.379 1.864 20 10 CDCDRO Oc1ccc(F)c(F)c1CN1CC[NH+]2CCC1CC2 ZINC001233334986 943547819 /nfs/dbraw/zinc/54/78/19/943547819.db2.gz CGWYBNXAOJGNJK-UHFFFAOYSA-N 1 0 268.307 1.950 20 10 CDCDRO C[NH+]1CCN(C2CN(Cc3c(O)ccc(F)c3F)C2)CC1 ZINC001233336776 943547878 /nfs/dbraw/zinc/54/78/78/943547878.db2.gz ZYNJQJUIYSZPLH-UHFFFAOYSA-N 1 0 297.349 1.102 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(COC3)CC2)cc1O ZINC001233482337 943591619 /nfs/dbraw/zinc/59/16/19/943591619.db2.gz JYCFHXIJLPTHNQ-UHFFFAOYSA-N 1 0 265.309 1.416 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(CCOC3)CC2)cc1O ZINC001233482915 943591638 /nfs/dbraw/zinc/59/16/38/943591638.db2.gz HJBMOCUMRCHYKP-UHFFFAOYSA-N 1 0 279.336 1.806 20 10 CDCDRO C[C@@]1(CF)CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483126 943592590 /nfs/dbraw/zinc/59/25/90/943592590.db2.gz OOZRLXPBJDLJCS-ZDUSSCGKSA-N 1 0 255.289 1.985 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC3(CC2)OCCO3)cc1O ZINC001233484061 943592920 /nfs/dbraw/zinc/59/29/20/943592920.db2.gz WQWTZMBDKCVVLA-UHFFFAOYSA-N 1 0 281.308 1.142 20 10 CDCDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(O)c(O)cc1O)C2 ZINC001233487126 943595722 /nfs/dbraw/zinc/59/57/22/943595722.db2.gz RBTITEJWJWNBMM-IAQYHMDHSA-N 1 0 278.352 1.187 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC3COC3)cc2)CC1 ZINC001234657902 943930434 /nfs/dbraw/zinc/93/04/34/943930434.db2.gz LRGVERQVHITBKC-UHFFFAOYSA-N 1 0 262.353 1.606 20 10 CDCDRO CC[NH+]1CCN(c2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC001234657696 943930629 /nfs/dbraw/zinc/93/06/29/943930629.db2.gz GEHNHDADFBWQIM-MRXNPFEDSA-N 1 0 276.380 1.996 20 10 CDCDRO Oc1ccc(O)c(CN2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235123059 944063938 /nfs/dbraw/zinc/06/39/38/944063938.db2.gz XWAOWGOBXRJQFY-OAHLLOKOSA-N 1 0 262.353 1.816 20 10 CDCDRO CC(C)(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000386310214 944101908 /nfs/dbraw/zinc/10/19/08/944101908.db2.gz NRKHSGDPOSYMOR-NSHDSACASA-N 1 0 266.341 1.151 20 10 CDCDRO COc1cc(N(C)C)ccc1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001235903303 944314413 /nfs/dbraw/zinc/31/44/13/944314413.db2.gz XVOZCSRHAYJJNL-BETUJISGSA-N 1 0 277.412 1.943 20 10 CDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977668 944343276 /nfs/dbraw/zinc/34/32/76/944343276.db2.gz HDUCSXCNUHQPSZ-NVXWUHKLSA-N 1 0 287.407 1.446 20 10 CDCDRO COc1cc(C)c(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988914 944351965 /nfs/dbraw/zinc/35/19/65/944351965.db2.gz IUPBXRATRGZEJD-IAQYHMDHSA-N 1 0 262.353 1.632 20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(C)c1O ZINC001236058720 944395799 /nfs/dbraw/zinc/39/57/99/944395799.db2.gz ULROLTXPPIMJAG-LBPRGKRZSA-N 1 0 298.770 1.301 20 10 CDCDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)cc(C)c1O ZINC001236202596 944430111 /nfs/dbraw/zinc/43/01/11/944430111.db2.gz UXCXVZHVSZQLJK-RYUDHWBXSA-N 1 0 298.770 1.429 20 10 CDCDRO Oc1c(CN2C[C@@H]3C[NH2+]C[C@H]32)cccc1OC(F)(F)F ZINC001236298446 944458035 /nfs/dbraw/zinc/45/80/35/944458035.db2.gz UMISAFAJCISIIT-VHSXEESVSA-N 1 0 288.269 1.694 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CC2COC2)cc1OC ZINC001236751551 944558235 /nfs/dbraw/zinc/55/82/35/944558235.db2.gz HJWBHSBJTLCPER-UHFFFAOYSA-N 1 0 267.325 1.488 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cc1OC ZINC001236751433 944558863 /nfs/dbraw/zinc/55/88/63/944558863.db2.gz CYGRHCXSLFJLJI-ZUZCIYMTSA-N 1 0 279.336 1.630 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(O)c1 ZINC001236783245 944565558 /nfs/dbraw/zinc/56/55/58/944565558.db2.gz IUHUZUATPSAARO-ZIAGYGMSSA-N 1 0 265.353 1.130 20 10 CDCDRO CCc1ccc(C[N@H+](CC)CCC(N)=O)c(O)c1 ZINC001236790294 944568814 /nfs/dbraw/zinc/56/88/14/944568814.db2.gz VJINXSWWKSELDF-UHFFFAOYSA-N 1 0 250.342 1.652 20 10 CDCDRO CCc1ccc(C[NH+]2CCC(O)(C(=O)OC)CC2)c(O)c1 ZINC001236788584 944568957 /nfs/dbraw/zinc/56/89/57/944568957.db2.gz PKASHVYHFRPYRS-UHFFFAOYSA-N 1 0 293.363 1.455 20 10 CDCDRO COc1cc(C)c(C[N@H+](C)CC2COC2)c(O)c1 ZINC001236811676 944576311 /nfs/dbraw/zinc/57/63/11/944576311.db2.gz VYYRYIDQTPWTBI-UHFFFAOYSA-N 1 0 251.326 1.787 20 10 CDCDRO COc1cc(C)c(CN2CCOC[C@@H]2C[NH+](C)C)c(O)c1 ZINC001236821783 944581439 /nfs/dbraw/zinc/58/14/39/944581439.db2.gz UCZQMDUBHOWFIV-ZDUSSCGKSA-N 1 0 294.395 1.472 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001237043511 944643333 /nfs/dbraw/zinc/64/33/33/944643333.db2.gz HFPVOWQTGLSVDX-LBPRGKRZSA-N 1 0 264.325 1.241 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001237050679 944646699 /nfs/dbraw/zinc/64/66/99/944646699.db2.gz UILBWMLKKGZNRZ-CVEARBPZSA-N 1 0 295.379 1.356 20 10 CDCDRO CCO[C@@H]1C[C@H]2CN(Cc3c(C)cccc3O)CC[N@@H+]2C1 ZINC001237488805 944814795 /nfs/dbraw/zinc/81/47/95/944814795.db2.gz QUEZZSIVGSCTSB-LSDHHAIUSA-N 1 0 290.407 1.996 20 10 CDCDRO COc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(O)c(OC)c1 ZINC001237670283 944917210 /nfs/dbraw/zinc/91/72/10/944917210.db2.gz RNBSEAXUXFCBML-JQWIXIFHSA-N 1 0 281.352 1.755 20 10 CDCDRO COc1cc(CN2CCC[N@H+](C)CC2)c(O)c(OC)c1 ZINC001237674744 944918441 /nfs/dbraw/zinc/91/84/41/944918441.db2.gz MHLYSAQSNCMTKH-UHFFFAOYSA-N 1 0 280.368 1.547 20 10 CDCDRO COc1cc(CN2CC[C@H]([NH+](C)C)C2)c(O)c(OC)c1 ZINC001237675337 944920861 /nfs/dbraw/zinc/92/08/61/944920861.db2.gz WHTIKQGYWDJBFT-LBPRGKRZSA-N 1 0 280.368 1.545 20 10 CDCDRO Cc1cc(F)cc(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC001238065994 945049634 /nfs/dbraw/zinc/04/96/34/945049634.db2.gz GYNHYNBFPNCIDD-UHFFFAOYSA-N 1 0 294.326 1.914 20 10 CDCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N)cc1 ZINC001262603763 946759169 /nfs/dbraw/zinc/75/91/69/946759169.db2.gz UMFALMJUCNOBCX-CQSZACIVSA-N 1 0 276.384 1.504 20 10 CDCDRO Cn1c(=O)cccc1C1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001245429529 947668342 /nfs/dbraw/zinc/66/83/42/947668342.db2.gz XSJWCOCIJNPART-AWEZNQCLSA-N 1 0 274.364 1.653 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(O)c1 ZINC001249173706 949439158 /nfs/dbraw/zinc/43/91/58/949439158.db2.gz VKFQXBGHWXNKKK-RISCZKNCSA-N 1 0 293.363 1.310 20 10 CDCDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001335726730 959992725 /nfs/dbraw/zinc/99/27/25/959992725.db2.gz WRCVGTCKTWMKGW-CQSZACIVSA-N 1 0 290.411 1.752 20 10 CDCDRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001337834354 961456555 /nfs/dbraw/zinc/45/65/55/961456555.db2.gz QGIVAOVVADRMKL-ZDUSSCGKSA-N 1 0 297.424 1.030 20 10 CDCDRO Nc1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC001337838249 961460376 /nfs/dbraw/zinc/46/03/76/961460376.db2.gz MQONSYULJWZREN-CQSZACIVSA-N 1 0 250.342 1.242 20 10 CDCDRO [NH3+]CCCSCCC(=O)NCc1ccccc1O ZINC001340959503 963212679 /nfs/dbraw/zinc/21/26/79/963212679.db2.gz ZDYRNHBZMNYNOW-UHFFFAOYSA-N 1 0 268.382 1.481 20 10 CDCDRO CCC[N@H+](Cc1ccc(N)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC001345160683 964610842 /nfs/dbraw/zinc/61/08/42/964610842.db2.gz XRZDVIJSAODHHO-CYBMUJFWSA-N 1 0 275.352 1.238 20 10 CDCDRO Nc1ccc(CNC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC001346738631 965234783 /nfs/dbraw/zinc/23/47/83/965234783.db2.gz IRQWVXYKUCUXBB-UHFFFAOYSA-N 1 0 262.357 1.149 20 10 CDCDRO O=C(NCc1cccc(O)c1O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001352672716 967415933 /nfs/dbraw/zinc/41/59/33/967415933.db2.gz XDOYXXDYVYNWMM-CYBMUJFWSA-N 1 0 290.363 1.731 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)O ZINC001356114674 969335627 /nfs/dbraw/zinc/33/56/27/969335627.db2.gz YGIDFPBDFVFZNL-DVOMOZLQSA-N 1 0 279.428 1.714 20 10 CDCDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001357418260 969583792 /nfs/dbraw/zinc/58/37/92/969583792.db2.gz RFKBMZWNNVAVCK-LBPRGKRZSA-N 1 0 278.400 1.797 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2C[C@H]([NH3+])C23CCC3)cc1 ZINC001514645999 976321104 /nfs/dbraw/zinc/32/11/04/976321104.db2.gz PBFSXRBFIBEEJK-STQMWFEESA-N 1 0 259.353 1.197 20 10 CDCDRO CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001595222224 980058232 /nfs/dbraw/zinc/05/82/32/980058232.db2.gz CCOLTUJUHJCXTR-WCBMZHEXSA-N 1 0 252.314 1.478 20 10 CDCDRO CC(C)c1ccc(O)c(C[NH2+][C@@H](CO)Cc2cn[nH]n2)c1 ZINC001575454200 1126214717 /nfs/dbraw/zinc/21/47/17/1126214717.db2.gz LFXBAXKFAKUIEG-CQSZACIVSA-N 1 0 290.367 1.327 20 10 CDCDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(N)cc1 ZINC001576801320 1171525325 /nfs/dbraw/zinc/52/53/25/1171525325.db2.gz RXWJKHPGWDCCKG-ZDUSSCGKSA-N 1 0 277.412 1.546 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1[NH2+]C(C)(C)O[C@H]1C)c1ccccc1O ZINC001576900833 1171555075 /nfs/dbraw/zinc/55/50/75/1171555075.db2.gz XDKPOMFSHCQPMQ-GBIKHYSHSA-N 1 0 278.352 1.682 20 10 CDCDRO CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000090849155 342397721 /nfs/dbraw/zinc/39/77/21/342397721.db2.gz FXUXGCFOHNKQEB-HZPDHXFCSA-N 1 0 278.396 1.945 20 10 CDCDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000298546592 356886883 /nfs/dbraw/zinc/88/68/83/356886883.db2.gz YDSXPSMAUPDYEI-ZDUSSCGKSA-N 1 0 293.411 1.072 20 10 CDCDRO COc1cc(O)c(C[NH+]2CCC(O)CC2)cc1OC ZINC000179584941 357212786 /nfs/dbraw/zinc/21/27/86/357212786.db2.gz CFCRTPYOHPNGQZ-UHFFFAOYSA-N 1 0 267.325 1.366 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000180186557 357249503 /nfs/dbraw/zinc/24/95/03/357249503.db2.gz XKKVXENPNSIJPT-UHFFFAOYSA-N 1 0 294.370 1.828 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC000180197932 357251269 /nfs/dbraw/zinc/25/12/69/357251269.db2.gz MSVSBUWKYYTSHW-CQSZACIVSA-N 1 0 251.326 1.748 20 10 CDCDRO Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC000180217577 357252416 /nfs/dbraw/zinc/25/24/16/357252416.db2.gz HYUXRBAZLSVFTA-UHFFFAOYSA-N 1 0 289.310 1.183 20 10 CDCDRO C[C@H](O)C[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000189860474 358042934 /nfs/dbraw/zinc/04/29/34/358042934.db2.gz FBKXZBPYZCONDC-NSHDSACASA-N 1 0 268.332 1.030 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c1O ZINC000190928877 358100965 /nfs/dbraw/zinc/10/09/65/358100965.db2.gz IFIICSBFLGREMH-UWVGGRQHSA-N 1 0 299.342 1.298 20 10 CDCDRO OC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000092455980 358549858 /nfs/dbraw/zinc/54/98/58/358549858.db2.gz GOKFCNBVTYUXQG-JTQLQIEISA-N 1 0 251.282 1.078 20 10 CDCDRO COCC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112018176 359278359 /nfs/dbraw/zinc/27/83/59/359278359.db2.gz WSGIAWXQVOOYFD-SECBINFHSA-N 1 0 253.298 1.636 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000083514551 360093837 /nfs/dbraw/zinc/09/38/37/360093837.db2.gz QQGKDOFPXBSAEK-NSHDSACASA-N 1 0 269.366 1.225 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCSC2)cc1C ZINC000267009474 363711149 /nfs/dbraw/zinc/71/11/49/363711149.db2.gz GGPDPCIGOHNVNI-AWEZNQCLSA-N 1 0 267.394 1.967 20 10 CDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000271732871 364996656 /nfs/dbraw/zinc/99/66/56/364996656.db2.gz NOPWDCBSDPZZJP-JTQLQIEISA-N 1 0 265.309 1.396 20 10 CDCDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1O ZINC000272028146 365051945 /nfs/dbraw/zinc/05/19/45/365051945.db2.gz YFOJQEQJGZDGNF-YGRLFVJLSA-N 1 0 251.326 1.604 20 10 CDCDRO COCC1(O)CC[NH+](Cc2ccccc2O)CC1 ZINC000272322137 365188658 /nfs/dbraw/zinc/18/86/58/365188658.db2.gz UQGCBBDRWODNMP-UHFFFAOYSA-N 1 0 251.326 1.366 20 10 CDCDRO CC[N@H+](CCOCCO)Cc1cc(C)ccc1O ZINC000282433883 367882441 /nfs/dbraw/zinc/88/24/41/367882441.db2.gz FLWXIDZAWFBNJN-UHFFFAOYSA-N 1 0 253.342 1.531 20 10 CDCDRO O=C1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2(CCC2)N1 ZINC000282576200 367947105 /nfs/dbraw/zinc/94/71/05/367947105.db2.gz BBGOHRCBQLZHFI-HNNXBMFYSA-N 1 0 286.375 1.912 20 10 CDCDRO COc1ccc(N(C)C[C@@H](O)C[N@H+](C)C2CC2)cc1F ZINC000289292268 369540780 /nfs/dbraw/zinc/54/07/80/369540780.db2.gz BGMWGKTUOAFWKA-ZDUSSCGKSA-N 1 0 282.359 1.726 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000135716322 369735263 /nfs/dbraw/zinc/73/52/63/369735263.db2.gz ZJMBZJQKTMMFAW-LBPRGKRZSA-N 1 0 263.385 1.886 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC000274128635 371188791 /nfs/dbraw/zinc/18/87/91/371188791.db2.gz OPBSTEWRVJVGGE-ZDUSSCGKSA-N 1 0 283.393 1.710 20 10 CDCDRO Cc1ccc(O)c(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000128120531 375104978 /nfs/dbraw/zinc/10/49/78/375104978.db2.gz FJDXOKULQRFYKO-CQSZACIVSA-N 1 0 264.369 1.463 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)C1CCOCC1)CC2 ZINC000296733233 378744579 /nfs/dbraw/zinc/74/45/79/378744579.db2.gz JBRGYAPUJQYNIO-ZFWWWQNUSA-N 1 0 277.364 1.757 20 10 CDCDRO COc1cccc(C[NH2+][C@@H](C)CN2CCOCC2)c1O ZINC000036933133 260053031 /nfs/dbraw/zinc/05/30/31/260053031.db2.gz ASXXWKFPXPCHDV-LBPRGKRZSA-N 1 0 280.368 1.211 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1cc(OCC)ccc1O ZINC000119336732 390846408 /nfs/dbraw/zinc/84/64/08/390846408.db2.gz BHOKWLQTBRXLIM-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000368336496 390946067 /nfs/dbraw/zinc/94/60/67/390946067.db2.gz OIDLPWUERVHKHN-WDNDVIMCSA-N 1 0 279.311 1.404 20 10 CDCDRO CC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)cc1 ZINC000093049506 390899462 /nfs/dbraw/zinc/89/94/62/390899462.db2.gz QBJLVQQRSYJWRN-CQSZACIVSA-N 1 0 261.369 1.463 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000122654492 390905116 /nfs/dbraw/zinc/90/51/16/390905116.db2.gz UPKPHKKTZWWONP-CYBMUJFWSA-N 1 0 292.379 1.844 20 10 CDCDRO OCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000177715887 391175541 /nfs/dbraw/zinc/17/55/41/391175541.db2.gz UIMSTQXIVLATDE-CYBMUJFWSA-N 1 0 251.326 1.366 20 10 CDCDRO COc1cc(O)c(C[N@H+](CC(N)=O)C(C)C)cc1OC ZINC000179579542 391212861 /nfs/dbraw/zinc/21/28/61/391212861.db2.gz PSYPAHMWUICQOS-UHFFFAOYSA-N 1 0 282.340 1.105 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000372687621 391861273 /nfs/dbraw/zinc/86/12/73/391861273.db2.gz VPEUNSVTXIEERR-INIZCTEOSA-N 1 0 289.379 1.827 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)[NH3+] ZINC000037807424 173749269 /nfs/dbraw/zinc/74/92/69/173749269.db2.gz PHAGDZYOHURAOQ-LBPRGKRZSA-N 1 0 263.385 1.838 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCS(C)(=O)=O)c1 ZINC000038047147 174056678 /nfs/dbraw/zinc/05/66/78/174056678.db2.gz CRZZDOOGAPTBOS-JTQLQIEISA-N 1 0 287.381 1.486 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1F ZINC000158760991 261171060 /nfs/dbraw/zinc/17/10/60/261171060.db2.gz UQRHYPKNJHKVDJ-LBPRGKRZSA-N 1 0 252.333 1.848 20 10 CDCDRO COc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000159806227 261194983 /nfs/dbraw/zinc/19/49/83/261194983.db2.gz GZQNWVIWJQFTGR-UHFFFAOYSA-N 1 0 278.352 1.488 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000300416291 261199351 /nfs/dbraw/zinc/19/93/51/261199351.db2.gz OOWAKBVNYSEMQF-UONOGXRCSA-N 1 0 280.343 1.484 20 10 CDCDRO Oc1cc2c(cc1CN1CC[C@@H]([NH+]3CCCC3)C1)OCO2 ZINC000066081025 262448798 /nfs/dbraw/zinc/44/87/98/262448798.db2.gz VZXSZBWFMAFHPW-CYBMUJFWSA-N 1 0 290.363 1.791 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](CC)[C@@H]2CCNC2=O)c1 ZINC000281865074 263072508 /nfs/dbraw/zinc/07/25/08/263072508.db2.gz VSHCYJOZZIJCPY-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000362236004 266949957 /nfs/dbraw/zinc/94/99/57/266949957.db2.gz CVFLTTYXKXRWBU-ZDUSSCGKSA-N 1 0 298.408 1.214 20 10 CDCDRO COc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000193682033 278012765 /nfs/dbraw/zinc/01/27/65/278012765.db2.gz REFZCPCITHNIOL-SKDRFNHKSA-N 1 0 264.325 1.015 20 10 CDCDRO COCC[C@@H]1COCCN1Cc1cc(F)ccc1O ZINC000291326608 328263266 /nfs/dbraw/zinc/26/32/66/328263266.db2.gz UCBHCLYMRRPEEU-CYBMUJFWSA-N 1 0 269.316 1.769 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000292663555 328273019 /nfs/dbraw/zinc/27/30/19/328273019.db2.gz ANGFTAYOBXFWIY-CYBMUJFWSA-N 1 0 277.412 1.875 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc1C ZINC000078639141 330326996 /nfs/dbraw/zinc/32/69/96/330326996.db2.gz HEPYOOUWUYCBCO-LLVKDONJSA-N 1 0 271.382 1.526 20 10 CDCDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000230992704 333323490 /nfs/dbraw/zinc/32/34/90/333323490.db2.gz WSODAHIIQHVETJ-LBPRGKRZSA-N 1 0 299.440 1.295 20 10 CDCDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000230666856 1161045829 /nfs/dbraw/zinc/04/58/29/1161045829.db2.gz BAXAGYAAEWHWNP-NSHDSACASA-N 1 0 286.397 1.291 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1O)OCO2 ZINC000265666382 520994990 /nfs/dbraw/zinc/99/49/90/520994990.db2.gz AAXODKKZBVUNCD-UHFFFAOYSA-N 1 0 281.308 1.506 20 10 CDCDRO CCOc1cccc(C[NH2+]CC(=O)NC(C)C)c1O ZINC000036781594 521358771 /nfs/dbraw/zinc/35/87/71/521358771.db2.gz ZCLZCKIWGIKTEC-UHFFFAOYSA-N 1 0 266.341 1.405 20 10 CDCDRO COc1c(O)c(CN2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000278314641 521869946 /nfs/dbraw/zinc/86/99/46/521869946.db2.gz XGYGQIYAOSTDQR-UHFFFAOYSA-N 1 0 295.339 1.447 20 10 CDCDRO COCCn1cc(C[NH2+]Cc2cc(OC)ccc2O)cn1 ZINC000266182523 522094679 /nfs/dbraw/zinc/09/46/79/522094679.db2.gz GLPMHGZHPCIONJ-UHFFFAOYSA-N 1 0 291.351 1.534 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1F ZINC000237085708 522202870 /nfs/dbraw/zinc/20/28/70/522202870.db2.gz XXVHXMOIXZJMJU-OAHLLOKOSA-N 1 0 279.359 1.508 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000289602643 522772644 /nfs/dbraw/zinc/77/26/44/522772644.db2.gz KVNKSHPYNFSQGP-VXGBXAGGSA-N 1 0 281.352 1.755 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)ccc21 ZINC000299487115 523819114 /nfs/dbraw/zinc/81/91/14/523819114.db2.gz HJKXYFOWGBKWHV-MRXNPFEDSA-N 1 0 287.407 1.779 20 10 CDCDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[N@H+](C)C1CC1 ZINC000276625874 524708864 /nfs/dbraw/zinc/70/88/64/524708864.db2.gz RTLSJRRFERULJA-QMMMGPOBSA-N 1 0 282.315 1.449 20 10 CDCDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000235693095 524768465 /nfs/dbraw/zinc/76/84/65/524768465.db2.gz KTXVHZWVXWMERQ-JSGCOSHPSA-N 1 0 275.396 1.757 20 10 CDCDRO C[C@H]([NH3+])CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000277466300 524830549 /nfs/dbraw/zinc/83/05/49/524830549.db2.gz JIIFAOWCPQBHPE-ZDUSSCGKSA-N 1 0 291.395 1.267 20 10 CDCDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1O ZINC000278458390 525320412 /nfs/dbraw/zinc/32/04/12/525320412.db2.gz MHYSHAKMXIYCHV-ZDUSSCGKSA-N 1 0 276.380 1.908 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1 ZINC000227965298 525350689 /nfs/dbraw/zinc/35/06/89/525350689.db2.gz JYZSUHVGTPFEIC-SMDDNHRTSA-N 1 0 251.326 1.330 20 10 CDCDRO C[S@](=O)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000280548074 525381430 /nfs/dbraw/zinc/38/14/30/525381430.db2.gz DNTMRLSJGBDKJT-FQEVSTJZSA-N 1 0 297.376 1.512 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000279398022 525918366 /nfs/dbraw/zinc/91/83/66/525918366.db2.gz KSYCKFMWWSTQPH-ZDUSSCGKSA-N 1 0 294.395 1.553 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c(O)c1 ZINC000068800525 525922135 /nfs/dbraw/zinc/92/21/35/525922135.db2.gz KPPGIUKOZPLNFD-UONOGXRCSA-N 1 0 277.412 1.597 20 10 CDCDRO O=S1(=O)CC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083551658 527308148 /nfs/dbraw/zinc/30/81/48/527308148.db2.gz XKMOJCGPXGQRPT-VIFPVBQESA-N 1 0 289.784 1.570 20 10 CDCDRO COCCOC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742377656 574420780 /nfs/dbraw/zinc/42/07/80/574420780.db2.gz XARNWPOMEQFXEU-LBPRGKRZSA-N 1 0 265.353 1.763 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H](C)CC(N)=O)CC2)cc1 ZINC000749129240 574531235 /nfs/dbraw/zinc/53/12/35/574531235.db2.gz XKWCHTYXAOGYRG-LBPRGKRZSA-N 1 0 291.395 1.518 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=S)NCC[NH+](C)C)c1 ZINC000728792665 574647812 /nfs/dbraw/zinc/64/78/12/574647812.db2.gz MIZRUUAEXUUVQD-SNVBAGLBSA-N 1 0 297.424 1.488 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)CCn1ccnc1 ZINC000734406506 575343012 /nfs/dbraw/zinc/34/30/12/575343012.db2.gz YIUGOBUIPBVTMF-UHFFFAOYSA-N 1 0 286.379 1.964 20 10 CDCDRO COCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000765260528 576002682 /nfs/dbraw/zinc/00/26/82/576002682.db2.gz HJQIQVPOQNECFG-UHFFFAOYSA-N 1 0 294.370 1.931 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000765797235 576056641 /nfs/dbraw/zinc/05/66/41/576056641.db2.gz QXHOGQAVJAMONY-TZMCWYRMSA-N 1 0 293.386 1.896 20 10 CDCDRO CCOc1ccc(C[N@H+](C)CC(=O)N(C)C)c(O)c1 ZINC000768192081 576263874 /nfs/dbraw/zinc/26/38/74/576263874.db2.gz PRJPHYCKWVWWRE-UHFFFAOYSA-N 1 0 266.341 1.311 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000768442413 576283488 /nfs/dbraw/zinc/28/34/88/576283488.db2.gz UXKOBUIVEMQWCE-UHFFFAOYSA-N 1 0 278.352 1.488 20 10 CDCDRO COc1cccc(O)c1CN1CC[NH+](CCCCO)CC1 ZINC000769396137 576351702 /nfs/dbraw/zinc/35/17/02/576351702.db2.gz JLGMULXMKPMODS-UHFFFAOYSA-N 1 0 294.395 1.291 20 10 CDCDRO OCC[C@H]([NH2+]Cc1ccccc1O)C1CCOCC1 ZINC000763468427 576738109 /nfs/dbraw/zinc/73/81/09/576738109.db2.gz YXHFUWZUSSXHLA-AWEZNQCLSA-N 1 0 265.353 1.659 20 10 CDCDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000748322743 576905129 /nfs/dbraw/zinc/90/51/29/576905129.db2.gz UHLYWQUPTKYMJU-ONGXEEELSA-N 1 0 268.382 1.866 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000757657728 577048723 /nfs/dbraw/zinc/04/87/23/577048723.db2.gz FSUHJXKGYHPCJV-XHDPSFHLSA-N 1 0 295.379 1.839 20 10 CDCDRO O=S1(=O)CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000036331653 617354387 /nfs/dbraw/zinc/35/43/87/617354387.db2.gz MPYOBLYATQKZNT-UHFFFAOYSA-N 1 0 289.784 1.712 20 10 CDCDRO COCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648289 617549569 /nfs/dbraw/zinc/54/95/69/617549569.db2.gz RRNFCIVKPZOPCL-UHFFFAOYSA-N 1 0 277.412 1.517 20 10 CDCDRO C[N@H+](Cc1cnc2n1CCOC2)Cc1ccccc1O ZINC000891714084 617551432 /nfs/dbraw/zinc/55/14/32/617551432.db2.gz REUHRBSLPUIQGY-UHFFFAOYSA-N 1 0 273.336 1.751 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)c(O)c1OC ZINC000893031701 618078550 /nfs/dbraw/zinc/07/85/50/618078550.db2.gz DSOUCQMPPCFVKI-SNVBAGLBSA-N 1 0 291.351 1.994 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1O ZINC000840963821 617849962 /nfs/dbraw/zinc/84/99/62/617849962.db2.gz QHYSRKFOWXHTSU-ZIAGYGMSSA-N 1 0 265.353 1.578 20 10 CDCDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000893863325 618099615 /nfs/dbraw/zinc/09/96/15/618099615.db2.gz FTUZYNVOTIASNO-SECBINFHSA-N 1 0 257.280 1.875 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922588794 618268960 /nfs/dbraw/zinc/26/89/60/618268960.db2.gz BMSKJVYVJDQQLF-INIZCTEOSA-N 1 0 290.407 1.822 20 10 CDCDRO CCCC[N@H+](C)CCNC(=O)NCCc1ccc(N)cc1 ZINC000841812539 618551077 /nfs/dbraw/zinc/55/10/77/618551077.db2.gz XITXTZNHCBYNIT-UHFFFAOYSA-N 1 0 292.427 1.842 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cnn(C)c2)cc1 ZINC000841040245 618677389 /nfs/dbraw/zinc/67/73/89/618677389.db2.gz JQJLNRWYBHWWEQ-OAHLLOKOSA-N 1 0 273.384 1.276 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1cc2c(cc1O)OCO2 ZINC000841066964 618680016 /nfs/dbraw/zinc/68/00/16/618680016.db2.gz XZWDXYJIFKKFGW-SECBINFHSA-N 1 0 252.314 1.209 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000843058261 618691954 /nfs/dbraw/zinc/69/19/54/618691954.db2.gz QMMRJZHJKNIAMV-IAQYHMDHSA-N 1 0 281.375 1.440 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000894210546 618724623 /nfs/dbraw/zinc/72/46/23/618724623.db2.gz DCBKEROHLVROHI-NSHDSACASA-N 1 0 264.325 1.030 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000894391432 618846611 /nfs/dbraw/zinc/84/66/11/618846611.db2.gz HAWZIZFCYJQMHY-UHFFFAOYSA-N 1 0 292.379 1.845 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)c(O)c1OC ZINC000894552857 618961110 /nfs/dbraw/zinc/96/11/10/618961110.db2.gz LEZDBBMMJOXGGV-NXEZZACHSA-N 1 0 269.341 1.922 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000894661931 619006661 /nfs/dbraw/zinc/00/66/61/619006661.db2.gz GWVJQQDQZCFPEC-IBGZPJMESA-N 1 0 283.393 1.710 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1Cl ZINC000895326204 619564483 /nfs/dbraw/zinc/56/44/83/619564483.db2.gz VZWLMOBAKHAJKE-BXUZGUMPSA-N 1 0 285.771 1.672 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCN2C)c1O ZINC000896596325 620161291 /nfs/dbraw/zinc/16/12/91/620161291.db2.gz XJRKGMCOBMHEBA-GFCCVEGCSA-N 1 0 250.342 1.503 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)cc1F ZINC000841761175 621018718 /nfs/dbraw/zinc/01/87/18/621018718.db2.gz NSDFRQMJXBDNEE-CYBMUJFWSA-N 1 0 294.374 1.428 20 10 CDCDRO CCOc1cccc(C[NH2+]Cc2cn(C)cn2)c1O ZINC000898045233 621278960 /nfs/dbraw/zinc/27/89/60/621278960.db2.gz JOCYDTLUQNFOKR-UHFFFAOYSA-N 1 0 261.325 1.814 20 10 CDCDRO CN(C)c1ccc([C@H](C[NH2+]Cc2cnc[nH]2)N(C)C)cc1 ZINC000898447172 621745144 /nfs/dbraw/zinc/74/51/44/621745144.db2.gz GCCLPBHKAIIKMD-INIZCTEOSA-N 1 0 287.411 1.868 20 10 CDCDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000905144295 626656197 /nfs/dbraw/zinc/65/61/97/626656197.db2.gz HRKPFJDRUOULFM-UHFFFAOYSA-N 1 0 297.330 1.153 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+]CC[N+](=O)[O-])C2)cc1 ZINC000905289427 626742222 /nfs/dbraw/zinc/74/22/22/626742222.db2.gz IBCDIKBPVKWUHR-LBPRGKRZSA-N 1 0 279.340 1.388 20 10 CDCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000921760717 633272799 /nfs/dbraw/zinc/27/27/99/633272799.db2.gz JUZJTSHPDYFKKT-INIZCTEOSA-N 1 0 291.391 1.889 20 10 CDCDRO CCc1cccc(C[NH2+]CC[C@@H](O)COC)c1O ZINC000691493760 1161199964 /nfs/dbraw/zinc/19/99/64/1161199964.db2.gz KVNGSNZFWOVADF-CYBMUJFWSA-N 1 0 253.342 1.442 20 10 CDCDRO CONC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000877786795 1166099786 /nfs/dbraw/zinc/09/97/86/1166099786.db2.gz ZATSRKZZCIUJRF-UHFFFAOYSA-N 1 0 264.325 1.282 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F)c1ccc(N(C)C)cc1 ZINC001576226746 1171365357 /nfs/dbraw/zinc/36/53/57/1171365357.db2.gz HZJRDMATAUZYPD-OASPWFOLSA-N 1 0 297.349 1.770 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])COC ZINC000159316880 1178240118 /nfs/dbraw/zinc/24/01/18/1178240118.db2.gz MPSSHQSDGBSFIC-AWEZNQCLSA-N 1 0 279.384 1.075 20 10 CDCDRO CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828666246 828854671 /nfs/dbraw/zinc/85/46/71/828854671.db2.gz CHRRNDUBLKDVFQ-QWRGUYRKSA-N 1 0 280.368 1.966 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CCOCC2)cc1 ZINC000832292773 833056543 /nfs/dbraw/zinc/05/65/43/833056543.db2.gz MIECVPVHPGICKV-OAHLLOKOSA-N 1 0 291.395 1.295 20 10 CDCDRO CO[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOC1 ZINC000389169751 833058894 /nfs/dbraw/zinc/05/88/94/833058894.db2.gz HUYGDZLWJXOFBT-WFASDCNBSA-N 1 0 263.337 1.775 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000828666193 833168094 /nfs/dbraw/zinc/16/80/94/833168094.db2.gz BOVFGMVJAZILBK-BMIGLBTASA-N 1 0 278.352 1.578 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c(O)c1 ZINC000809766173 833201940 /nfs/dbraw/zinc/20/19/40/833201940.db2.gz WGBKHBZEUFSDSN-NSHDSACASA-N 1 0 278.352 1.501 20 10 CDCDRO COC[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000044478651 833285176 /nfs/dbraw/zinc/28/51/76/833285176.db2.gz XXMKAGXFFFNUCC-CQSZACIVSA-N 1 0 278.396 1.895 20 10 CDCDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccccc1O ZINC000840878712 833294370 /nfs/dbraw/zinc/29/43/70/833294370.db2.gz JWIAAKBHXSYNNO-SNVBAGLBSA-N 1 0 269.366 1.620 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH2+]C)cc1F ZINC000848413689 833296220 /nfs/dbraw/zinc/29/62/20/833296220.db2.gz IWCTZBMGZUFWMM-NSHDSACASA-N 1 0 281.375 1.896 20 10 CDCDRO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000824914132 828850328 /nfs/dbraw/zinc/85/03/28/828850328.db2.gz MKFFBGVLDNLDJQ-CYBMUJFWSA-N 1 0 283.393 1.791 20 10 CDCDRO CCN(C)c1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1 ZINC000931653866 828861242 /nfs/dbraw/zinc/86/12/42/828861242.db2.gz IELYBXBCVWKUGT-AWEZNQCLSA-N 1 0 275.396 1.757 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccccc1O ZINC000842912695 828861427 /nfs/dbraw/zinc/86/14/27/828861427.db2.gz UXTUDYDDUFUUPT-YRGRVCCFSA-N 1 0 251.326 1.847 20 10 CDCDRO CC[NH2+]CCNCc1ccc(OC)c(COCC)c1 ZINC000841037722 828861899 /nfs/dbraw/zinc/86/18/99/828861899.db2.gz UFAQIBJWCJDUHY-UHFFFAOYSA-N 1 0 266.385 1.931 20 10 CDCDRO C[C@@H]1CN(CC[NH2+][C@H]2CCc3cccc(O)c32)CCO1 ZINC000834567225 833330802 /nfs/dbraw/zinc/33/08/02/833330802.db2.gz ZTCFWUZVSKIQEC-OCCSQVGLSA-N 1 0 276.380 1.690 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@](CO)(COC)C2)c(O)c1 ZINC000825158091 833338359 /nfs/dbraw/zinc/33/83/59/833338359.db2.gz DJULGPKYUFTOFR-INIZCTEOSA-N 1 0 295.379 1.622 20 10 CDCDRO CN(Cc1c(O)cccc1Br)[C@H]1CCNC1=O ZINC000862252859 828999797 /nfs/dbraw/zinc/99/97/97/828999797.db2.gz HZDASNRLHWWEBI-JTQLQIEISA-N 1 0 299.168 1.475 20 10 CDCDRO CON1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000323467033 829032451 /nfs/dbraw/zinc/03/24/51/829032451.db2.gz IQCUNQXTZMOXGH-UHFFFAOYSA-N 1 0 263.385 1.868 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000922055263 829036909 /nfs/dbraw/zinc/03/69/09/829036909.db2.gz OGTAQPLCLBKDRX-DOMZBBRYSA-N 1 0 290.411 1.817 20 10 CDCDRO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988588 833355186 /nfs/dbraw/zinc/35/51/86/833355186.db2.gz UEVWDSFQUIPSFY-ZYHUDNBSSA-N 1 0 250.342 1.943 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825550158 833364078 /nfs/dbraw/zinc/36/40/78/833364078.db2.gz ZANYJCJNOBKTLV-UHFFFAOYSA-N 1 0 270.760 1.922 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCn2cncn2)c1 ZINC000381822585 829185596 /nfs/dbraw/zinc/18/55/96/829185596.db2.gz VBDCMKGLMAUWPK-NSHDSACASA-N 1 0 276.340 1.733 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCN2CCCC2=O)cc1OC ZINC000846090407 829220588 /nfs/dbraw/zinc/22/05/88/829220588.db2.gz VFHJQIIRFJKYLA-UHFFFAOYSA-N 1 0 294.351 1.121 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)CC[C@H](C)O)cc1 ZINC000844402922 833379410 /nfs/dbraw/zinc/37/94/10/833379410.db2.gz WTNGXWAUYFYAPZ-ZDUSSCGKSA-N 1 0 266.385 1.834 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NC(C)(C)CC[NH3+])cc1F ZINC000817877342 833380152 /nfs/dbraw/zinc/38/01/52/833380152.db2.gz WGAYKUKKMSCOMK-UHFFFAOYSA-N 1 0 296.390 1.818 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc2c(cc1O)CCCC2 ZINC000866420004 833380591 /nfs/dbraw/zinc/38/05/91/833380591.db2.gz LQTDIGAFYZLPFZ-JJMVLAAESA-N 1 0 277.364 1.681 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCO[C@@H]2CCOC2)cc1F ZINC000922938101 833391092 /nfs/dbraw/zinc/39/10/92/833391092.db2.gz LONLWJDQPQOOHP-CYBMUJFWSA-N 1 0 282.359 1.787 20 10 CDCDRO CC[NH2+]CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841883010 829339619 /nfs/dbraw/zinc/33/96/19/829339619.db2.gz QRAYVJPUOFXEOM-LBPRGKRZSA-N 1 0 278.400 1.722 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@]2(OC)CCOC2)c1O ZINC000122985227 829353879 /nfs/dbraw/zinc/35/38/79/829353879.db2.gz YFNXKDJFUOUDQI-HNNXBMFYSA-N 1 0 281.352 1.686 20 10 CDCDRO O=C1N=NCN1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000813328162 829408144 /nfs/dbraw/zinc/40/81/44/829408144.db2.gz OCSIDVCOCCODKT-UHFFFAOYSA-N 1 0 274.324 1.526 20 10 CDCDRO COc1cccc(CN2CC(OC(F)F)C2)c1O ZINC000839142515 829420481 /nfs/dbraw/zinc/42/04/81/829420481.db2.gz AMHRHWVPERGRRX-UHFFFAOYSA-N 1 0 259.252 1.824 20 10 CDCDRO CCOCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279600 833406064 /nfs/dbraw/zinc/40/60/64/833406064.db2.gz KLBKUDJNQCJKJJ-AWEZNQCLSA-N 1 0 279.384 1.295 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](CO)C2)ccc1N(C)C ZINC000879695175 829544242 /nfs/dbraw/zinc/54/42/42/829544242.db2.gz IBGHQRGWAMFLOI-GASCZTMLSA-N 1 0 278.396 1.094 20 10 CDCDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015104120 829548070 /nfs/dbraw/zinc/54/80/70/829548070.db2.gz QHHGKISLKBLKLZ-GFCCVEGCSA-N 1 0 293.367 1.313 20 10 CDCDRO CCN1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)CC1=O ZINC000391524137 833430913 /nfs/dbraw/zinc/43/09/13/833430913.db2.gz DYCAOOZNDJALBJ-MWLCHTKSSA-N 1 0 266.316 1.803 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843850666 833441570 /nfs/dbraw/zinc/44/15/70/833441570.db2.gz GLWKACQMZJADNN-DMDPSCGWSA-N 1 0 292.379 1.485 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccccc1O ZINC000870988076 829719481 /nfs/dbraw/zinc/71/94/81/829719481.db2.gz FWWTUPFGTURDHP-GMXABZIVSA-N 1 0 260.337 1.569 20 10 CDCDRO CCc1cccc(C[NH2+]CC2(CO)CCOCC2)c1O ZINC000700933369 829733368 /nfs/dbraw/zinc/73/33/68/829733368.db2.gz XRNBHTAMYWSLSF-UHFFFAOYSA-N 1 0 279.380 1.833 20 10 CDCDRO Cc1ccc(O)c(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228365299 829806668 /nfs/dbraw/zinc/80/66/68/829806668.db2.gz DHMACDULHZNZAU-FZMZJTMJSA-N 1 0 250.342 1.249 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H](CN)C2CC2)c1O ZINC000841028079 829809954 /nfs/dbraw/zinc/80/99/54/829809954.db2.gz LEQLYLLCJKERJT-LBPRGKRZSA-N 1 0 250.342 1.618 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000779102178 829821173 /nfs/dbraw/zinc/82/11/73/829821173.db2.gz RQKRFKATZFIHJE-NEPJUHHUSA-N 1 0 266.316 1.536 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1c(C)cccc1O ZINC000876618075 829829047 /nfs/dbraw/zinc/82/90/47/829829047.db2.gz YXTGRNNCGRQNEG-LLVKDONJSA-N 1 0 251.326 1.942 20 10 CDCDRO CC1(C)CNC(=O)CN1Cc1cc(F)ccc1O ZINC000800539257 829868791 /nfs/dbraw/zinc/86/87/91/829868791.db2.gz UBUWRSJMDBZZGJ-UHFFFAOYSA-N 1 0 252.289 1.242 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CCc3nccn3C2)c1 ZINC000862754749 829903440 /nfs/dbraw/zinc/90/34/40/829903440.db2.gz IYLYPLCCVQSKLY-LBPRGKRZSA-N 1 0 285.347 1.776 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1O ZINC000848896118 829922890 /nfs/dbraw/zinc/92/28/90/829922890.db2.gz SIQGEWAQJVAMSK-HOTGVXAUSA-N 1 0 290.407 1.907 20 10 CDCDRO c1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc2c1OCC2 ZINC000817902197 829938553 /nfs/dbraw/zinc/93/85/53/829938553.db2.gz KPTJMUFZTKORBK-IAGOWNOFSA-N 1 0 288.391 1.478 20 10 CDCDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@@H]1CCCO1 ZINC000877490050 830015940 /nfs/dbraw/zinc/01/59/40/830015940.db2.gz SRNNHEBEILTVOI-ZFWWWQNUSA-N 1 0 265.353 1.984 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2cccc(C)c2O)C1=O ZINC000722344254 830019269 /nfs/dbraw/zinc/01/92/69/830019269.db2.gz AZALXXLIPHDERP-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO CN(C)c1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1F ZINC000843049179 830025906 /nfs/dbraw/zinc/02/59/06/830025906.db2.gz IIDXZPPCBVJZSL-GFCCVEGCSA-N 1 0 251.349 1.685 20 10 CDCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CC(N)=O)c(O)c1 ZINC000788630081 830051179 /nfs/dbraw/zinc/05/11/79/830051179.db2.gz FKSUMLMDBRQWDW-GHMZBOCLSA-N 1 0 250.342 1.924 20 10 CDCDRO Nc1ccc(CC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000852898918 830276371 /nfs/dbraw/zinc/27/63/71/830276371.db2.gz AWLPFNXZTUXHJJ-HOTGVXAUSA-N 1 0 287.407 1.944 20 10 CDCDRO CC[C@@H](O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775021985 830280925 /nfs/dbraw/zinc/28/09/25/830280925.db2.gz BQRKALYRPFKFSA-LLVKDONJSA-N 1 0 298.339 1.950 20 10 CDCDRO COc1ccc(N2CC[NH+](C[C@H](C)CO)CC2)c(OC)c1 ZINC000879461679 830321654 /nfs/dbraw/zinc/32/16/54/830321654.db2.gz FWDDUQLVYSDQEA-ZDUSSCGKSA-N 1 0 294.395 1.454 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCNC2=O)c(O)c1 ZINC000886745054 830337977 /nfs/dbraw/zinc/33/79/77/830337977.db2.gz MXOOFDYRQOSBPM-NSHDSACASA-N 1 0 263.341 1.376 20 10 CDCDRO O=C1C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)CN1C1CC1 ZINC000846205493 830354529 /nfs/dbraw/zinc/35/45/29/830354529.db2.gz HPIDBMVZIILMPG-RISCZKNCSA-N 1 0 286.375 1.980 20 10 CDCDRO COc1c(O)c(C[N@H+]2C[C@H](O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000825316938 830368082 /nfs/dbraw/zinc/36/80/82/830368082.db2.gz YVXWABFVJJWASW-GXSJLCMTSA-N 1 0 296.323 1.512 20 10 CDCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000779393534 830371697 /nfs/dbraw/zinc/37/16/97/830371697.db2.gz SAPSPKLQTOJZRR-AWEZNQCLSA-N 1 0 292.423 1.756 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)NCCc1ccc(N)cc1 ZINC000841945024 830474137 /nfs/dbraw/zinc/47/41/37/830474137.db2.gz UHFVNAQRFKUOMA-CYBMUJFWSA-N 1 0 264.373 1.094 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CCF)c1 ZINC000846097472 830487375 /nfs/dbraw/zinc/48/73/75/830487375.db2.gz PILMMEXHLIZKMA-VHSXEESVSA-N 1 0 257.305 1.772 20 10 CDCDRO COC1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839127819 830507347 /nfs/dbraw/zinc/50/73/47/830507347.db2.gz ILPANVHGSQZZRS-UHFFFAOYSA-N 1 0 262.353 1.354 20 10 CDCDRO CN1C[C@H]([NH2+]Cc2c(O)cccc2Br)CC1=O ZINC000706852119 833678356 /nfs/dbraw/zinc/67/83/56/833678356.db2.gz QSOBITHGQYOXKO-MRVPVSSYSA-N 1 0 299.168 1.475 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCC(=O)N2)cc1 ZINC000844400864 832095005 /nfs/dbraw/zinc/09/50/05/832095005.db2.gz GALMAIWJRXTVMZ-ZDUSSCGKSA-N 1 0 291.395 1.342 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](C)O ZINC000819374541 832115112 /nfs/dbraw/zinc/11/51/12/832115112.db2.gz FYVXOZNZUMJUBR-CHWSQXEVSA-N 1 0 250.386 1.962 20 10 CDCDRO Cc1ccc(C[N@H+](C)CCN2CCCC2=O)c(O)c1 ZINC000876721708 832331872 /nfs/dbraw/zinc/33/18/72/832331872.db2.gz LSWZXSUGGLSNGV-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1COC(C)(C)O1 ZINC000851840418 832400281 /nfs/dbraw/zinc/40/02/81/832400281.db2.gz GKHFHFINSYTRJM-GFCCVEGCSA-N 1 0 251.326 1.976 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H](C)O1 ZINC000877464200 832408739 /nfs/dbraw/zinc/40/87/39/832408739.db2.gz LYOBLOYMNFZPPT-JSGCOSHPSA-N 1 0 265.353 1.936 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H]2COC[C@H]2OC)c1O ZINC000846167811 833845864 /nfs/dbraw/zinc/84/58/64/833845864.db2.gz DZPXBTPJLHDGOO-XHVZSJERSA-N 1 0 267.325 1.465 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000877256380 832440606 /nfs/dbraw/zinc/44/06/06/832440606.db2.gz ULUDRPRHAVBZAA-MWLCHTKSSA-N 1 0 284.306 1.814 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000841828528 832503281 /nfs/dbraw/zinc/50/32/81/832503281.db2.gz VAWJZXFJHROHFU-HNNXBMFYSA-N 1 0 292.427 1.844 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1O ZINC000379444581 833872610 /nfs/dbraw/zinc/87/26/10/833872610.db2.gz VVMCGSFGAZULPT-RYUDHWBXSA-N 1 0 264.369 1.973 20 10 CDCDRO CCOc1cccc(CN2CC[NH2+][C@@H](C)[C@H]2C)c1O ZINC000379444579 832558864 /nfs/dbraw/zinc/55/88/64/832558864.db2.gz VVMCGSFGAZULPT-NWDGAFQWSA-N 1 0 264.369 1.973 20 10 CDCDRO Cc1nccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000832273017 833874205 /nfs/dbraw/zinc/87/42/05/833874205.db2.gz LIGMTTBIPIVDNS-AWEZNQCLSA-N 1 0 299.378 1.281 20 10 CDCDRO Cc1cccc(C[NH2+]CC(C)(C)OCCO)c1O ZINC000381138783 833879641 /nfs/dbraw/zinc/87/96/41/833879641.db2.gz CERXVOIWRVPKGA-UHFFFAOYSA-N 1 0 253.342 1.578 20 10 CDCDRO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000036959687 833887658 /nfs/dbraw/zinc/88/76/58/833887658.db2.gz HMTMSHSYJXZWAS-WDEREUQCSA-N 1 0 280.368 1.966 20 10 CDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000227975299 832689193 /nfs/dbraw/zinc/68/91/93/832689193.db2.gz XQWFJZXDJQXBPW-WFASDCNBSA-N 1 0 264.369 1.382 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccon2)cc1 ZINC000832272661 832714685 /nfs/dbraw/zinc/71/46/85/832714685.db2.gz IILAULIJMNRQLS-LBPRGKRZSA-N 1 0 274.324 1.170 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c(O)c1 ZINC000872141149 832716580 /nfs/dbraw/zinc/71/65/80/832716580.db2.gz NRTIWJWFVSFVEO-MPKXVKKWSA-N 1 0 251.326 1.501 20 10 CDCDRO COc1cccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)c1O ZINC000841978286 832719223 /nfs/dbraw/zinc/71/92/23/832719223.db2.gz MBEZQSBMKZARGD-GFCCVEGCSA-N 1 0 293.367 1.342 20 10 CDCDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000842611410 832734983 /nfs/dbraw/zinc/73/49/83/832734983.db2.gz ZDFLTRCSCIJSHL-IUODEOHRSA-N 1 0 293.363 1.817 20 10 CDCDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCCc1ccc(N)cc1 ZINC000884028263 832807412 /nfs/dbraw/zinc/80/74/12/832807412.db2.gz BSGGEGUSMUZRMH-AWEZNQCLSA-N 1 0 277.412 1.937 20 10 CDCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000090026436 832809519 /nfs/dbraw/zinc/80/95/19/832809519.db2.gz FMMKJKXNJMOKBS-SNVBAGLBSA-N 1 0 282.727 1.283 20 10 CDCDRO CCOC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182434600 832810147 /nfs/dbraw/zinc/81/01/47/832810147.db2.gz NSOLIANCEHYOCV-GHMZBOCLSA-N 1 0 269.341 1.449 20 10 CDCDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCOC3)C2)cc1 ZINC000818219778 832811894 /nfs/dbraw/zinc/81/18/94/832811894.db2.gz DGZXJCQLYDVTIG-UONOGXRCSA-N 1 0 276.380 1.900 20 10 CDCDRO C[N@H+](C[C@H](O)CNc1ccccc1OCCF)C1CC1 ZINC000819489937 832825110 /nfs/dbraw/zinc/82/51/10/832825110.db2.gz YZFQBFOTNIRCBK-CYBMUJFWSA-N 1 0 282.359 1.902 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1O ZINC000190046589 832830042 /nfs/dbraw/zinc/83/00/42/832830042.db2.gz OACKOOBBXCVHBD-PBHICJAKSA-N 1 0 290.407 1.726 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000825196683 832841528 /nfs/dbraw/zinc/84/15/28/832841528.db2.gz MFOSCGABPWERTR-HUUCEWRRSA-N 1 0 264.369 1.646 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2COCCN2)cc1 ZINC000863544691 832880666 /nfs/dbraw/zinc/88/06/66/832880666.db2.gz BITUBBKOHHIHMU-ZFWWWQNUSA-N 1 0 277.412 1.782 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000848912396 832895011 /nfs/dbraw/zinc/89/50/11/832895011.db2.gz QMPYTHAVHRNJQB-LLVKDONJSA-N 1 0 262.353 1.665 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCOC1=O)c1ccccc1O ZINC000879649704 833502749 /nfs/dbraw/zinc/50/27/49/833502749.db2.gz SUCUADICVHYVME-SNVBAGLBSA-N 1 0 250.298 1.495 20 10 CDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC000840977009 833521575 /nfs/dbraw/zinc/52/15/75/833521575.db2.gz ZYMROSLQCXQZKM-WCQYABFASA-N 1 0 285.771 1.529 20 10 CDCDRO C[C@@H](O)[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000929294523 833609473 /nfs/dbraw/zinc/60/94/73/833609473.db2.gz DYUZOSXZCFFSOM-WBMJQRKESA-N 1 0 278.396 1.459 20 10 CDCDRO CC(C)[NH2+]CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000852799037 833772467 /nfs/dbraw/zinc/77/24/67/833772467.db2.gz PZZRNNJHYNHVJS-UHFFFAOYSA-N 1 0 275.396 1.683 20 10 CDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000788270873 833836305 /nfs/dbraw/zinc/83/63/05/833836305.db2.gz UPYKLCCRVYYTIV-ZYHUDNBSSA-N 1 0 252.333 1.847 20 10 CDCDRO c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc2c1OCC2 ZINC000817902199 834099352 /nfs/dbraw/zinc/09/93/52/834099352.db2.gz KPTJMUFZTKORBK-SJORKVTESA-N 1 0 288.391 1.478 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(O)(CO)CC2)c(O)c1 ZINC000827147862 834109156 /nfs/dbraw/zinc/10/91/56/834109156.db2.gz XIXSJFVPNHTXQP-UHFFFAOYSA-N 1 0 281.352 1.110 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000851656293 834211570 /nfs/dbraw/zinc/21/15/70/834211570.db2.gz HZSBAJCRNNQVKG-GFCCVEGCSA-N 1 0 278.400 1.468 20 10 CDCDRO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817958460 834271570 /nfs/dbraw/zinc/27/15/70/834271570.db2.gz JVUHJPCKSJZMCY-BXKDBHETSA-N 1 0 267.329 1.934 20 10 CDCDRO C[C@@H](NC(=S)NCCC[NH+](C)C)c1ccccc1O ZINC000865269440 834318976 /nfs/dbraw/zinc/31/89/76/834318976.db2.gz MJNOUPWNJWLPMA-LLVKDONJSA-N 1 0 281.425 1.869 20 10 CDCDRO Cc1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccc1N(C)C ZINC000815120919 834322884 /nfs/dbraw/zinc/32/28/84/834322884.db2.gz PKBPWLCJJNXNGO-FICVDOATSA-N 1 0 260.381 1.731 20 10 CDCDRO COc1cccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC000822520758 834324313 /nfs/dbraw/zinc/32/43/13/834324313.db2.gz ONJRLJPRIKXOTD-GXTWGEPZSA-N 1 0 276.380 1.927 20 10 CDCDRO Oc1cccc(Br)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000706855339 834418242 /nfs/dbraw/zinc/41/82/42/834418242.db2.gz DQCZZEOOQZIPGN-NXEZZACHSA-N 1 0 297.196 1.806 20 10 CDCDRO Cc1ccc(C[NH2+]CCS(=O)(=O)C(C)C)c(O)c1 ZINC000877536497 834434398 /nfs/dbraw/zinc/43/43/98/834434398.db2.gz SKUIEOASNOAGAS-UHFFFAOYSA-N 1 0 271.382 1.613 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCN2CCNC2=O)c1O ZINC000886744972 834607432 /nfs/dbraw/zinc/60/74/32/834607432.db2.gz LBQLYCKERQMXDJ-SNVBAGLBSA-N 1 0 279.340 1.077 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(C)cc1O ZINC000866420580 834674293 /nfs/dbraw/zinc/67/42/93/834674293.db2.gz PVUAAFKAZJJYQO-BZPMIXESSA-N 1 0 251.326 1.501 20 10 CDCDRO CC[N@H+](CCNC(=O)c1ccc(C)c(O)c1O)C(C)C ZINC000780938442 834709612 /nfs/dbraw/zinc/70/96/12/834709612.db2.gz BYTYDEPMRMBYDP-UHFFFAOYSA-N 1 0 280.368 1.866 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000848901565 834738721 /nfs/dbraw/zinc/73/87/21/834738721.db2.gz WCJAYZBHYKBCFT-CYBMUJFWSA-N 1 0 274.364 1.808 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000876762907 834753347 /nfs/dbraw/zinc/75/33/47/834753347.db2.gz BOKFMKRDPQDLTI-LLVKDONJSA-N 1 0 262.309 1.337 20 10 CDCDRO C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1O ZINC000870988374 834781968 /nfs/dbraw/zinc/78/19/68/834781968.db2.gz NWDYUSPIFWWTRK-DGCLKSJQSA-N 1 0 274.364 1.959 20 10 CDCDRO CC[NH+](CC)CCNC(=O)N(C)Cc1ccccc1O ZINC000079028420 834799762 /nfs/dbraw/zinc/79/97/62/834799762.db2.gz LAJYBDLAXHLNDG-UHFFFAOYSA-N 1 0 279.384 1.875 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1F ZINC000829038465 834841464 /nfs/dbraw/zinc/84/14/64/834841464.db2.gz IRVUVWSRMNUJCQ-CYBMUJFWSA-N 1 0 279.359 1.650 20 10 CDCDRO COCC1(O)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779021806 834844981 /nfs/dbraw/zinc/84/49/81/834844981.db2.gz XVQRZACIIXCXTC-UHFFFAOYSA-N 1 0 269.316 1.505 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1O ZINC000843352077 834847335 /nfs/dbraw/zinc/84/73/35/834847335.db2.gz RAQBLZGUUMBRSV-NXEZZACHSA-N 1 0 280.343 1.916 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000841827596 834894017 /nfs/dbraw/zinc/89/40/17/834894017.db2.gz OEPRJIMPGPXWFO-ZDUSSCGKSA-N 1 0 276.384 1.304 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]21 ZINC000814173715 835065423 /nfs/dbraw/zinc/06/54/23/835065423.db2.gz ONCMHSMJFBRHKB-PJXYFTJBSA-N 1 0 265.284 1.382 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000863545273 835069938 /nfs/dbraw/zinc/06/99/38/835069938.db2.gz NBLKOSULXSDCJB-OCCSQVGLSA-N 1 0 263.385 1.392 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000776253511 835163960 /nfs/dbraw/zinc/16/39/60/835163960.db2.gz XDZLQDFDIMFEHI-CHWSQXEVSA-N 1 0 262.353 1.705 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000828666696 835247994 /nfs/dbraw/zinc/24/79/94/835247994.db2.gz HNWOQRLJTUOSCX-XVKPBYJWSA-N 1 0 288.294 1.561 20 10 CDCDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)[C@@H](C)O ZINC000930351309 835345127 /nfs/dbraw/zinc/34/51/27/835345127.db2.gz OKICJDULLNWDKS-IUODEOHRSA-N 1 0 267.369 1.736 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000322860340 835438998 /nfs/dbraw/zinc/43/89/98/835438998.db2.gz BKMQGMFDZWMATB-MRVPVSSYSA-N 1 0 256.733 1.660 20 10 CDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000877158830 835478301 /nfs/dbraw/zinc/47/83/01/835478301.db2.gz YZWZFMSYJJWGMU-NSHDSACASA-N 1 0 260.337 1.554 20 10 CDCDRO C[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)[NH+](C)C ZINC000855415443 835537459 /nfs/dbraw/zinc/53/74/59/835537459.db2.gz ICMLLSPWIKIZRL-XOIDGJRKSA-N 1 0 278.352 1.567 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000827320692 835627537 /nfs/dbraw/zinc/62/75/37/835627537.db2.gz MTKFHVDYLXWWEC-GFCCVEGCSA-N 1 0 293.436 1.593 20 10 CDCDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000712547825 835723621 /nfs/dbraw/zinc/72/36/21/835723621.db2.gz JKTUUVMYOKUORH-MRXNPFEDSA-N 1 0 275.396 1.317 20 10 CDCDRO CC[C@H](C(=O)NCc1cc(OC)ccc1O)[NH+](C)C ZINC000126528323 835749002 /nfs/dbraw/zinc/74/90/02/835749002.db2.gz DUJSHWZXZOEBLX-GFCCVEGCSA-N 1 0 266.341 1.357 20 10 CDCDRO CC[C@H]([NH3+])C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001578231157 1167684168 /nfs/dbraw/zinc/68/41/68/1167684168.db2.gz HOJMJDJJRHEFBC-DOMZBBRYSA-N 1 0 277.412 1.846 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)CCOCC[NH3+])c1O ZINC000699504998 913893424 /nfs/dbraw/zinc/89/34/24/913893424.db2.gz CGAGEUGJDFBNDO-UHFFFAOYSA-N 1 0 288.775 1.461 20 10 CDCDRO COc1c[nH+]ccc1Nc1cc(S(C)(=O)=O)ccc1O ZINC001211264102 895654053 /nfs/dbraw/zinc/65/40/53/895654053.db2.gz VYGXONSMNGODFI-UHFFFAOYSA-N 1 0 294.332 1.365 20 10 CDCDRO CN(C)c1ccc(CN2CC[NH2+][C@H]3C[C@H]32)c(Cl)c1 ZINC001235293195 914135977 /nfs/dbraw/zinc/13/59/77/914135977.db2.gz QMPBBIGJFMKOMM-UONOGXRCSA-N 1 0 265.788 1.952 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c1O ZINC001272660406 914501921 /nfs/dbraw/zinc/50/19/21/914501921.db2.gz QWPLPQCVCKJMEY-INIZCTEOSA-N 1 0 290.363 1.603 20 10 CDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001270703884 904963457 /nfs/dbraw/zinc/96/34/57/904963457.db2.gz UTAZBETYHQEADF-CBSYICTRSA-N 1 0 288.347 1.274 20 10 CDCDRO CN1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1=O ZINC001272987447 921306160 /nfs/dbraw/zinc/30/61/60/921306160.db2.gz BVUMOJNKGQMPGI-HNNXBMFYSA-N 1 0 276.336 1.152 20 10 CDCDRO CCN1CC[C@@H]([NH2+]Cc2cccc(C)c2O)CC1=O ZINC001172032759 911150791 /nfs/dbraw/zinc/15/07/91/911150791.db2.gz RMSCHELZPFVBKR-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO CCN1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)CC1=O ZINC001172049312 911189968 /nfs/dbraw/zinc/18/99/68/911189968.db2.gz VPYZHLFUQDBQEJ-CYBMUJFWSA-N 1 0 274.364 1.761 20 10 CDCDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CO1 ZINC001172266217 911485201 /nfs/dbraw/zinc/48/52/01/911485201.db2.gz HYTPKGZNOMCXCG-GXFFZTMASA-N 1 0 267.325 1.288 20 10 CDCDRO CC(C)[C@H](C(=O)N1CCc2cccc(O)c2C1)[NH+](C)C ZINC001183363205 918450317 /nfs/dbraw/zinc/45/03/17/918450317.db2.gz TVYMLJBNZGETMK-OAHLLOKOSA-N 1 0 276.380 1.863 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC001203651365 920313580 /nfs/dbraw/zinc/31/35/80/920313580.db2.gz MUFQWQZUDFGHMH-UONOGXRCSA-N 1 0 285.771 1.611 20 10 CDCDRO CC(=O)N(C)C1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140181500 936684758 /nfs/dbraw/zinc/68/47/58/936684758.db2.gz CFOVKIIUJMPVKZ-UHFFFAOYSA-N 1 0 262.353 1.672 20 10 CDCDRO CN(C)C(=O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001203013283 936687921 /nfs/dbraw/zinc/68/79/21/936687921.db2.gz VIFSNVSWTOERKY-UHFFFAOYSA-N 1 0 275.396 1.807 20 10 CDCDRO OC1CCN(c2ccc(CN3C[C@H]4C[C@@H](C3)O4)cc2)CC1 ZINC001140286157 936698032 /nfs/dbraw/zinc/69/80/32/936698032.db2.gz YUBSIOZDDIHJJZ-CALCHBBNSA-N 1 0 288.391 1.621 20 10 CDCDRO CCO[C@@H]1C[C@H]2CN(Cc3cc(C)ccc3O)CC[N@@H+]2C1 ZINC001140620632 936732047 /nfs/dbraw/zinc/73/20/47/936732047.db2.gz WERCPPUNWFZZRC-JKSUJKDBSA-N 1 0 290.407 1.996 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC001140744345 936748830 /nfs/dbraw/zinc/74/88/30/936748830.db2.gz UNHGRLXTZMSKSW-GFCCVEGCSA-N 1 0 291.269 1.905 20 10 CDCDRO O=C1CN(Cc2cc(O)ccc2O)CC2(CCCC2)N1 ZINC001141163310 936823698 /nfs/dbraw/zinc/82/36/98/936823698.db2.gz ZLGCBRUIMKDXOL-UHFFFAOYSA-N 1 0 276.336 1.342 20 10 CDCDRO COc1ccc(CN2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205764526 924852139 /nfs/dbraw/zinc/85/21/39/924852139.db2.gz WOJDBYAKCXCSIK-NSHDSACASA-N 1 0 286.322 1.817 20 10 CDCDRO Cc1c(O)ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205872984 925894516 /nfs/dbraw/zinc/89/45/16/925894516.db2.gz XYRCNFUVJHGAGN-SKDRFNHKSA-N 1 0 250.342 1.575 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001143103751 937120682 /nfs/dbraw/zinc/12/06/82/937120682.db2.gz JVLVXAQDSGFSDM-HIFRSBDPSA-N 1 0 293.407 1.865 20 10 CDCDRO CCc1cccc(C[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000691450877 928873765 /nfs/dbraw/zinc/87/37/65/928873765.db2.gz ZWELCPBFWBJMRE-SFHVURJKSA-N 1 0 267.394 1.955 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)c2c1c(F)ccc2O ZINC000858601077 928894655 /nfs/dbraw/zinc/89/46/55/928894655.db2.gz BJFPSVWJTNVURJ-GVXVVHGQSA-N 1 0 294.370 1.736 20 10 CDCDRO CCCC[NH2+]CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001153037292 937412922 /nfs/dbraw/zinc/41/29/22/937412922.db2.gz KXIMNEGQWJGTJJ-UHFFFAOYSA-N 1 0 291.355 1.969 20 10 CDCDRO [NH3+][C@H](CC(=O)NCCCSc1nccs1)C1CC1 ZINC000829528158 931480056 /nfs/dbraw/zinc/48/00/56/931480056.db2.gz MHYCPDGZTZZLSQ-SNVBAGLBSA-N 1 0 285.438 1.869 20 10 CDCDRO CCCN(C(=O)c1cccc(O)c1O)[C@@H]1CC[N@H+](C)C1 ZINC000843990980 931522314 /nfs/dbraw/zinc/52/23/14/931522314.db2.gz ZTIGHPUIVUQESI-LLVKDONJSA-N 1 0 278.352 1.654 20 10 CDCDRO CC1(O)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499799 931858920 /nfs/dbraw/zinc/85/89/20/931858920.db2.gz JMCCSYIJOVZZEH-UHFFFAOYSA-N 1 0 253.298 1.150 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CCC3(COC3)C2)c(O)c1 ZINC001144504313 931865195 /nfs/dbraw/zinc/86/51/95/931865195.db2.gz PEHBUEONMBKWKJ-UHFFFAOYSA-N 1 0 251.282 1.026 20 10 CDCDRO OCC[N@H+](Cc1cccs1)Cc1c(O)cc(O)cc1O ZINC001144509005 931874959 /nfs/dbraw/zinc/87/49/59/931874959.db2.gz HDBLGOLQFNUMML-UHFFFAOYSA-N 1 0 295.360 1.859 20 10 CDCDRO Cn1cnc2c1C[N@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144516390 931880788 /nfs/dbraw/zinc/88/07/88/931880788.db2.gz XHCQGOQEPOSRDM-UHFFFAOYSA-N 1 0 275.308 1.095 20 10 CDCDRO CC(C)[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144515604 931880865 /nfs/dbraw/zinc/88/08/65/931880865.db2.gz SBCCUJXLNMEAER-CQSZACIVSA-N 1 0 267.325 1.660 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@H]21 ZINC001161085451 932639902 /nfs/dbraw/zinc/63/99/02/932639902.db2.gz YCLCHIXCHAITTR-UKRRQHHQSA-N 1 0 273.380 1.364 20 10 CDCDRO CN(C)c1ccc(CN(C)c2cc3c(nn2)CC[NH2+]C3)cc1 ZINC001156920664 938434460 /nfs/dbraw/zinc/43/44/60/938434460.db2.gz GVYCFPUDEKZNMI-UHFFFAOYSA-N 1 0 297.406 1.825 20 10 CDCDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001158144401 938587311 /nfs/dbraw/zinc/58/73/11/938587311.db2.gz HHTZRSUNXZQCIQ-GFCCVEGCSA-N 1 0 292.379 1.583 20 10 CDCDRO [NH3+][C@H]1CC[C@@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925379 938844697 /nfs/dbraw/zinc/84/46/97/938844697.db2.gz ZKQBJZCFADBNBO-RYUDHWBXSA-N 1 0 276.336 1.110 20 10 CDCDRO CNc1ccccc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163095284 939198807 /nfs/dbraw/zinc/19/88/07/939198807.db2.gz FTDAJLWVTYRSDL-LBPRGKRZSA-N 1 0 261.369 1.909 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001203670395 939700331 /nfs/dbraw/zinc/70/03/31/939700331.db2.gz QODYHIZVCYYAED-DGCLKSJQSA-N 1 0 255.289 1.306 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1cc(OC)ccc1O ZINC001203678006 939700714 /nfs/dbraw/zinc/70/07/14/939700714.db2.gz FIEDHCHGIYLEQZ-UHFFFAOYSA-N 1 0 267.325 1.786 20 10 CDCDRO Oc1ccc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)cc1O ZINC001203875986 939710302 /nfs/dbraw/zinc/71/03/02/939710302.db2.gz ZOQALNBVZZWGPG-QWRGUYRKSA-N 1 0 255.289 1.393 20 10 CDCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CC[C@H](O)CC1 ZINC001203875095 939710326 /nfs/dbraw/zinc/71/03/26/939710326.db2.gz HEJPUEPTVAVGCY-HAQNSBGRSA-N 1 0 251.326 1.833 20 10 CDCDRO Oc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1O ZINC001203879705 939710986 /nfs/dbraw/zinc/71/09/86/939710986.db2.gz YQNRCFBWHSKNTL-ZDUSSCGKSA-N 1 0 262.353 1.768 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(O)c(O)c2)C[C@H]1C ZINC001203883289 939711326 /nfs/dbraw/zinc/71/13/26/939711326.db2.gz HEAPTLNMMRABNZ-LLVKDONJSA-N 1 0 250.342 1.624 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)[C@@H]1C ZINC001203882505 939711723 /nfs/dbraw/zinc/71/17/23/939711723.db2.gz JTAFSIMSWOVIRP-PWSUYJOCSA-N 1 0 279.336 1.871 20 10 CDCDRO O=C1CC[N@@H+](Cc2ccc(O)cc2O)C[C@@H]2CCCN12 ZINC001204280702 939752346 /nfs/dbraw/zinc/75/23/46/939752346.db2.gz CCAIPRLBQYKVCW-LBPRGKRZSA-N 1 0 276.336 1.295 20 10 CDCDRO COc1cc(CN2CCC[C@H]2C[NH+](C)C)cc(O)c1O ZINC001204343894 939757129 /nfs/dbraw/zinc/75/71/29/939757129.db2.gz BIVUUKVEAXVOJL-LBPRGKRZSA-N 1 0 280.368 1.632 20 10 CDCDRO [NH3+]C[C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O ZINC001206534727 940055401 /nfs/dbraw/zinc/05/54/01/940055401.db2.gz BDHVWTFKVUJSDA-CPCISQLKSA-N 1 0 291.178 1.450 20 10 CDCDRO CN1CC2(C1)CCC[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516575 940166859 /nfs/dbraw/zinc/16/68/59/940166859.db2.gz IDVAQRWYFUMCAC-UHFFFAOYSA-N 1 0 278.352 1.331 20 10 CDCDRO CNc1cc(N(c2ccc(N)cc2)S(C)(=O)=O)cc[nH+]1 ZINC001216335113 940933657 /nfs/dbraw/zinc/93/36/57/940933657.db2.gz KTHZIGAVRJDJAU-UHFFFAOYSA-N 1 0 292.364 1.803 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCC2=O)c(O)c1 ZINC000405407000 940986907 /nfs/dbraw/zinc/98/69/07/940986907.db2.gz UQVDZMHLAGHDCY-LBPRGKRZSA-N 1 0 262.353 1.974 20 10 CDCDRO Oc1ccc(F)cc1CN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222675369 941624733 /nfs/dbraw/zinc/62/47/33/941624733.db2.gz YKRLZGRWPPMQIE-INIZCTEOSA-N 1 0 293.386 1.449 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(N)=O)cc1 ZINC001276958158 941730512 /nfs/dbraw/zinc/73/05/12/941730512.db2.gz GLJXTSDSQMDAQK-BFJAYTPKSA-N 1 0 287.407 1.742 20 10 CDCDRO COc1ccc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1F ZINC001277009922 941809992 /nfs/dbraw/zinc/80/99/92/941809992.db2.gz OWKYWCGIRRGSJC-JSGCOSHPSA-N 1 0 266.316 1.354 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC001231594515 942937579 /nfs/dbraw/zinc/93/75/79/942937579.db2.gz KAUHHUQLFHQMDV-AWEZNQCLSA-N 1 0 262.353 1.753 20 10 CDCDRO Cc1cccc(C[NH+]2CC(N3CC(F)C3)C2)c1O ZINC001231590869 942938348 /nfs/dbraw/zinc/93/83/48/942938348.db2.gz JPJGMPRFRNTXAC-UHFFFAOYSA-N 1 0 250.317 1.539 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(O)cc1O ZINC001231635077 942951847 /nfs/dbraw/zinc/95/18/47/942951847.db2.gz VGTXVJAMCLUOHF-WDEREUQCSA-N 1 0 285.315 1.401 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c(Cl)c1 ZINC001277552355 942978678 /nfs/dbraw/zinc/97/86/78/942978678.db2.gz YCWRAQHBXGGCQH-IAQYHMDHSA-N 1 0 293.798 1.713 20 10 CDCDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(=O)N3CC=CC3)C2)c(O)c1 ZINC001277569118 943019068 /nfs/dbraw/zinc/01/90/68/943019068.db2.gz VHNSXEVNZLBBSJ-HNNXBMFYSA-N 1 0 298.386 1.921 20 10 CDCDRO CN(CC[NH+](C)C)Cc1cc(Cl)c(O)cc1O ZINC001232258522 943189951 /nfs/dbraw/zinc/18/99/51/943189951.db2.gz JQZLHPTUMXDCLH-UHFFFAOYSA-N 1 0 258.749 1.745 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001232836930 943414043 /nfs/dbraw/zinc/41/40/43/943414043.db2.gz WXALKOSXEPAJHA-BETUJISGSA-N 1 0 262.353 1.536 20 10 CDCDRO C[N@H+](C1CC1)C1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233014775 943463645 /nfs/dbraw/zinc/46/36/45/943463645.db2.gz BGPXNLNRJFRGIQ-UHFFFAOYSA-N 1 0 292.379 1.862 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c([O-])ccc(F)c3F)C[C@@H]21 ZINC001233335355 943549343 /nfs/dbraw/zinc/54/93/43/943549343.db2.gz RNQZVNPECVSYHR-JDICNCQASA-N 1 0 283.274 1.521 20 10 CDCDRO COc1ccc2ccc(O)c(C[N@H+](C)C[C@H](O)CO)c2c1 ZINC001234535702 943883382 /nfs/dbraw/zinc/88/33/82/943883382.db2.gz DPLIPZSZUJGHPT-LBPRGKRZSA-N 1 0 291.347 1.339 20 10 CDCDRO Cc1cc(CN2CCNC[C@]23CC[NH2+]C3)ccc1N(C)C ZINC001234985379 943994724 /nfs/dbraw/zinc/99/47/24/943994724.db2.gz ARRWDDZHGJKWNY-QGZVFWFLSA-N 1 0 288.439 1.198 20 10 CDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001235977665 944343089 /nfs/dbraw/zinc/34/30/89/944343089.db2.gz HDUCSXCNUHQPSZ-DOTOQJQBSA-N 1 0 287.407 1.446 20 10 CDCDRO COC(=O)[C@H]1CN(Cc2ccc(C(C)C)cc2O)C[C@H]1[NH3+] ZINC001236347114 944479120 /nfs/dbraw/zinc/47/91/20/944479120.db2.gz AGIDYXIPSHQYPG-UONOGXRCSA-N 1 0 292.379 1.448 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)cc1OC ZINC001236751843 944558436 /nfs/dbraw/zinc/55/84/36/944558436.db2.gz KLPAVGQDZNGDHA-CMPLNLGQSA-N 1 0 281.352 1.755 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@@H](O)C2)c(O)c1 ZINC001236783607 944565434 /nfs/dbraw/zinc/56/54/34/944565434.db2.gz MXYQMFQNCOAVAR-JKSUJKDBSA-N 1 0 279.380 1.520 20 10 CDCDRO CCc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC001236795270 944571983 /nfs/dbraw/zinc/57/19/83/944571983.db2.gz STAOABLFOQRRDU-UHFFFAOYSA-N 1 0 262.353 1.619 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001236807694 944577028 /nfs/dbraw/zinc/57/70/28/944577028.db2.gz JLKFNRZVQWFQAY-MRXNPFEDSA-N 1 0 293.363 1.701 20 10 CDCDRO CNC(=O)C[N@H+](C)Cc1cc2ccccc2cc1O ZINC001236826694 944583920 /nfs/dbraw/zinc/58/39/20/944583920.db2.gz LTIMMSGNHIQOAR-UHFFFAOYSA-N 1 0 258.321 1.723 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001236868559 944594897 /nfs/dbraw/zinc/59/48/97/944594897.db2.gz NAPCOKGYYXHWGU-INIZCTEOSA-N 1 0 290.455 1.608 20 10 CDCDRO COc1cc(N(C)C)ccc1CN(C)C[C@H](C)[NH3+] ZINC001236904048 944611349 /nfs/dbraw/zinc/61/13/49/944611349.db2.gz JHPYWMBMJLPDLI-NSHDSACASA-N 1 0 251.374 1.540 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001237046964 944646436 /nfs/dbraw/zinc/64/64/36/944646436.db2.gz QFRQEHPZXWAHHK-STQMWFEESA-N 1 0 262.353 1.679 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001237485503 944812147 /nfs/dbraw/zinc/81/21/47/944812147.db2.gz PWKOPOKGWAPOER-KBPBESRZSA-N 1 0 271.307 1.945 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c(OC)c1 ZINC001237670300 944918138 /nfs/dbraw/zinc/91/81/38/944918138.db2.gz RZRMPZQJKYYWAF-TXEJJXNPSA-N 1 0 279.336 1.488 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c(OC)c1 ZINC001237671657 944918818 /nfs/dbraw/zinc/91/88/18/944918818.db2.gz DOTGCUZPJWTEOW-NWDGAFQWSA-N 1 0 285.315 1.314 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1O ZINC001238064070 945044112 /nfs/dbraw/zinc/04/41/12/945044112.db2.gz NWCYHHPSZAEASZ-AAEUAGOBSA-N 1 0 269.316 1.015 20 10 CDCDRO Cc1cc(F)cc(CN2CCO[C@@H](C[NH+](C)C)C2)c1O ZINC001238065654 945047430 /nfs/dbraw/zinc/04/74/30/945047430.db2.gz XCDPYAURCZHLSY-AWEZNQCLSA-N 1 0 282.359 1.602 20 10 CDCDRO Cc1cc(F)cc(CN2CC[NH+](CC(C)(C)O)CC2)c1O ZINC001238064836 945048581 /nfs/dbraw/zinc/04/85/81/945048581.db2.gz CTMJWGPARMJQSU-UHFFFAOYSA-N 1 0 296.386 1.728 20 10 CDCDRO C[NH2+][C@@H](C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC001262095382 946428475 /nfs/dbraw/zinc/42/84/75/946428475.db2.gz SJEVSWUIGHBBDF-WDEREUQCSA-N 1 0 265.357 1.750 20 10 CDCDRO Cn1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1=O ZINC001241775067 946464372 /nfs/dbraw/zinc/46/43/72/946464372.db2.gz SXAQHMTWYBAGRZ-UHFFFAOYSA-N 1 0 258.325 1.173 20 10 CDCDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001262487360 946680171 /nfs/dbraw/zinc/68/01/71/946680171.db2.gz RMEKOSFDFFNERJ-LBPRGKRZSA-N 1 0 261.369 1.746 20 10 CDCDRO O=C1C[C@H]2CC([NH2+]CCc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001254930538 947660170 /nfs/dbraw/zinc/66/01/70/947660170.db2.gz IGYZLBGQEIKQRW-GHMZBOCLSA-N 1 0 291.347 1.693 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCSC2)cc1O ZINC001255267787 947794800 /nfs/dbraw/zinc/79/48/00/947794800.db2.gz RCFCPJKRTDOMGL-CABZTGNLSA-N 1 0 255.339 1.226 20 10 CDCDRO CC[N@H+](CC(N)=O)Cc1ccc(N2CCCC2)cc1 ZINC001255657431 948054384 /nfs/dbraw/zinc/05/43/84/948054384.db2.gz IEJCVLBDIIFVKE-UHFFFAOYSA-N 1 0 261.369 1.594 20 10 CDCDRO COC(=O)C1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001257856382 948642654 /nfs/dbraw/zinc/64/26/54/948642654.db2.gz WBCAFBFNXRXVID-UHFFFAOYSA-N 1 0 279.336 1.919 20 10 CDCDRO COC(=O)Cc1ccc(C[NH+]2CC([C@H](C)OC)C2)c(O)c1 ZINC001249216697 949462055 /nfs/dbraw/zinc/46/20/55/949462055.db2.gz HFRSJNBGLABRDD-NSHDSACASA-N 1 0 293.363 1.574 20 10 CDCDRO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CNCCO1 ZINC001326074027 954207516 /nfs/dbraw/zinc/20/75/16/954207516.db2.gz DLMWOMQWEISART-INIZCTEOSA-N 1 0 275.396 1.365 20 10 CDCDRO C[NH+](C)CC[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC001303477865 956090845 /nfs/dbraw/zinc/09/08/45/956090845.db2.gz NQHRLRPFUHFGRN-JTQLQIEISA-N 1 0 268.382 1.868 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC001331528498 957119582 /nfs/dbraw/zinc/11/95/82/957119582.db2.gz HFSRSBKYBPGHHL-CQSZACIVSA-N 1 0 251.326 1.666 20 10 CDCDRO Cc1ccc(C[NH2+]CC(=O)NCC(C)C)c(O)c1 ZINC001331712260 957221099 /nfs/dbraw/zinc/22/10/99/957221099.db2.gz LOJTYTUOKAERET-UHFFFAOYSA-N 1 0 250.342 1.562 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@]1(O)CCN(C)C1 ZINC001320514178 959215430 /nfs/dbraw/zinc/21/54/30/959215430.db2.gz OSSWJTQQXMPPEV-XNJGSVPQSA-N 1 0 290.407 1.905 20 10 CDCDRO COc1ccc(C[NH2+]C2(CO)CCOCC2)c(O)c1OC ZINC001335469235 959824354 /nfs/dbraw/zinc/82/43/54/959824354.db2.gz XOILBWLBSNOFFA-UHFFFAOYSA-N 1 0 297.351 1.041 20 10 CDCDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C(=O)NCCF ZINC001321696632 959908863 /nfs/dbraw/zinc/90/88/63/959908863.db2.gz RTEQBUCUPJTWFV-ZDUSSCGKSA-N 1 0 293.386 1.851 20 10 CDCDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCc1ccc(N)cc1 ZINC001337070555 960912314 /nfs/dbraw/zinc/91/23/14/960912314.db2.gz RQVKXUYFHJFHOT-UHFFFAOYSA-N 1 0 290.411 1.942 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC001338264226 961717790 /nfs/dbraw/zinc/71/77/90/961717790.db2.gz OIIUAOAEEMDUBW-LBPRGKRZSA-N 1 0 292.379 1.810 20 10 CDCDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(N)cc3)CC2)C1 ZINC001345160078 964610022 /nfs/dbraw/zinc/61/00/22/964610022.db2.gz QSJVWVMOICYDAD-KRWDZBQOSA-N 1 0 288.439 1.481 20 10 CDCDRO Nc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC001346209786 964988777 /nfs/dbraw/zinc/98/87/77/964988777.db2.gz LPRRCNQXIQVQCL-ZDUSSCGKSA-N 1 0 259.353 1.275 20 10 CDCDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001353540926 968056056 /nfs/dbraw/zinc/05/60/56/968056056.db2.gz ZKNOPIRWLRSCFV-UHFFFAOYSA-N 1 0 276.384 1.506 20 10 CDCDRO Nc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC001356083335 969329027 /nfs/dbraw/zinc/32/90/27/969329027.db2.gz NLRFTEKLSCQBAO-OCCSQVGLSA-N 1 0 250.342 1.146 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC001357465174 969596716 /nfs/dbraw/zinc/59/67/16/969596716.db2.gz ZZPORZJZKLQZMJ-TZMCWYRMSA-N 1 0 276.384 1.586 20 10 CDCDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001576373447 1171404821 /nfs/dbraw/zinc/40/48/21/1171404821.db2.gz UGCIUTFXPKNQOW-DGCLKSJQSA-N 1 0 260.337 1.608 20 10 CDCDRO OC1CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000294984181 199284348 /nfs/dbraw/zinc/28/43/48/199284348.db2.gz YMGXKYNGKSUGPP-UHFFFAOYSA-N 1 0 276.380 1.168 20 10 CDCDRO C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000248647324 362177504 /nfs/dbraw/zinc/17/75/04/362177504.db2.gz IHIJWOLEYFPOIR-GXTWGEPZSA-N 1 0 265.353 1.754 20 10 CDCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(F)ccc1O ZINC000273580550 344826739 /nfs/dbraw/zinc/82/67/39/344826739.db2.gz MOGRIWUIKKVVJM-WPRPVWTQSA-N 1 0 252.289 1.413 20 10 CDCDRO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C ZINC000072872242 349137936 /nfs/dbraw/zinc/13/79/36/349137936.db2.gz QWMXOJBFSPVVHO-OKILXGFUSA-N 1 0 289.423 1.957 20 10 CDCDRO CC[NH+]1CCN(CCC(=O)NCc2ccccc2O)CC1 ZINC000263673575 362940347 /nfs/dbraw/zinc/94/03/47/362940347.db2.gz JIBQCHIXUDXGIV-UHFFFAOYSA-N 1 0 291.395 1.036 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC(C)C)c1 ZINC000036781649 356883518 /nfs/dbraw/zinc/88/35/18/356883518.db2.gz LLUAXVMNISNGSU-NSHDSACASA-N 1 0 250.342 1.876 20 10 CDCDRO CCCN(CC(=O)OC)Cc1cc2c(cc1O)OCO2 ZINC000298985293 356963169 /nfs/dbraw/zinc/96/31/69/356963169.db2.gz JWZSLSJBOIEOFL-UHFFFAOYSA-N 1 0 281.308 1.506 20 10 CDCDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000179586315 357213917 /nfs/dbraw/zinc/21/39/17/357213917.db2.gz RWDISWPSBWUKKG-NEPJUHHUSA-N 1 0 282.359 1.694 20 10 CDCDRO Oc1ccccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000180186610 357249862 /nfs/dbraw/zinc/24/98/62/357249862.db2.gz YFCDNBBFVOJVSJ-UHFFFAOYSA-N 1 0 276.380 1.689 20 10 CDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180567599 357276847 /nfs/dbraw/zinc/27/68/47/357276847.db2.gz VNNFNUQIAXOWTP-HNNXBMFYSA-N 1 0 279.336 1.786 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCN(C[C@H](C)O)CC2)c1 ZINC000189862739 358042270 /nfs/dbraw/zinc/04/22/70/358042270.db2.gz RBBRZZQJBFEOGM-ZDUSSCGKSA-N 1 0 264.369 1.199 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CC1=CCCOC1)OCO2 ZINC000288473107 367309566 /nfs/dbraw/zinc/30/95/66/367309566.db2.gz PCUMBJOCEFYIOD-UHFFFAOYSA-N 1 0 263.293 1.557 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000281125790 367593887 /nfs/dbraw/zinc/59/38/87/367593887.db2.gz OAIQSDKAUCKZPA-INIZCTEOSA-N 1 0 275.396 1.711 20 10 CDCDRO COC(=O)[C@H]1CN(Cc2cccc(OC)c2O)C[C@@H](C)O1 ZINC000282819850 368052702 /nfs/dbraw/zinc/05/27/02/368052702.db2.gz ASDDSAWKBJHRPW-ZWNOBZJWSA-N 1 0 295.335 1.163 20 10 CDCDRO Cc1cccc(C[NH2+][C@H](C)C(=O)NCCF)c1O ZINC000282822144 368053722 /nfs/dbraw/zinc/05/37/22/368053722.db2.gz UDWNUFHBVVONKE-SNVBAGLBSA-N 1 0 254.305 1.264 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)NC23CCC3)c1 ZINC000282969300 368127414 /nfs/dbraw/zinc/12/74/14/368127414.db2.gz INATZLKAVGKRFX-CQSZACIVSA-N 1 0 290.363 1.692 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]CCC2(O)CCOCC2)c1 ZINC000285398090 368623447 /nfs/dbraw/zinc/62/34/47/368623447.db2.gz DZBXMJOGPFEMHW-UHFFFAOYSA-N 1 0 265.353 1.722 20 10 CDCDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(O)c1O ZINC000288194390 369415997 /nfs/dbraw/zinc/41/59/97/369415997.db2.gz CFOJFPXTXGIAFJ-NEPJUHHUSA-N 1 0 290.363 1.797 20 10 CDCDRO Cc1cccc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294677564 371082915 /nfs/dbraw/zinc/08/29/15/371082915.db2.gz AXLCUVAATSEJEC-CYBMUJFWSA-N 1 0 278.352 1.973 20 10 CDCDRO CCN(CC)c1ccc(C[NH+]2CC(C(=O)NC)C2)cc1 ZINC000297399414 371987556 /nfs/dbraw/zinc/98/75/56/371987556.db2.gz LGRIWPCFVNXPSQ-UHFFFAOYSA-N 1 0 275.396 1.711 20 10 CDCDRO Oc1ccccc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000245594533 376106483 /nfs/dbraw/zinc/10/64/83/376106483.db2.gz IAOCGWJPJLYFRL-CABCVRRESA-N 1 0 263.337 1.772 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)C1CCOCC1)CC2 ZINC000296733229 378744602 /nfs/dbraw/zinc/74/46/02/378744602.db2.gz JBRGYAPUJQYNIO-UKRRQHHQSA-N 1 0 277.364 1.757 20 10 CDCDRO CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1O ZINC000186299853 378846648 /nfs/dbraw/zinc/84/66/48/378846648.db2.gz MRFQEZFFZWZTEZ-TZMCWYRMSA-N 1 0 251.326 1.584 20 10 CDCDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1O ZINC001580886039 1172563902 /nfs/dbraw/zinc/56/39/02/1172563902.db2.gz VNZVIIHEEABZHQ-WDEREUQCSA-N 1 0 291.178 1.511 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCSC1)OCO2 ZINC000228552004 390935071 /nfs/dbraw/zinc/93/50/71/390935071.db2.gz ARSWUDKYIHFWKD-SECBINFHSA-N 1 0 267.350 1.964 20 10 CDCDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1ccccc1 ZINC000237589982 391291813 /nfs/dbraw/zinc/29/18/13/391291813.db2.gz UOUSACLVTLSMJE-UHFFFAOYSA-N 1 0 257.337 1.783 20 10 CDCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000193588497 391342016 /nfs/dbraw/zinc/34/20/16/391342016.db2.gz DRIVEPKQWPJAID-BXUZGUMPSA-N 1 0 261.369 1.367 20 10 CDCDRO O=C(NCc1ccccc1O)C12CCC[NH+]1CCC2 ZINC000367394547 391723093 /nfs/dbraw/zinc/72/30/93/391723093.db2.gz OSNBEJLEQAQQBD-UHFFFAOYSA-N 1 0 260.337 1.637 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@@H]3CCOC3)C1)OCO2 ZINC000372175264 391841035 /nfs/dbraw/zinc/84/10/35/391841035.db2.gz GRQLWPAIVKMYIJ-VXGBXAGGSA-N 1 0 291.347 1.979 20 10 CDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1F ZINC000372445538 391852539 /nfs/dbraw/zinc/85/25/39/391852539.db2.gz KEWCIIBDISKLES-MLGOLLRUSA-N 1 0 291.370 1.508 20 10 CDCDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000038047621 174057972 /nfs/dbraw/zinc/05/79/72/174057972.db2.gz HKOJVSNUPLDBCX-GFCCVEGCSA-N 1 0 284.425 1.838 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000038082636 174091860 /nfs/dbraw/zinc/09/18/60/174091860.db2.gz FHBGCKWSUQTKMO-MNOVXSKESA-N 1 0 269.366 1.478 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1O ZINC000179661517 261807000 /nfs/dbraw/zinc/80/70/00/261807000.db2.gz VVVUOSSFTRTFRB-UHFFFAOYSA-N 1 0 298.408 1.168 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185331188 262050893 /nfs/dbraw/zinc/05/08/93/262050893.db2.gz PDGBWQWVNVBIEX-LLVKDONJSA-N 1 0 271.382 1.786 20 10 CDCDRO COc1cccc(C[NH2+][C@H](CO)C(C)(C)C)c1O ZINC000059240732 262387457 /nfs/dbraw/zinc/38/74/57/262387457.db2.gz GJVNZJGUCKRCAL-GFCCVEGCSA-N 1 0 253.342 1.897 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1O ZINC000272539150 263006133 /nfs/dbraw/zinc/00/61/33/263006133.db2.gz BWNPYRFSHRAYFB-GXTWGEPZSA-N 1 0 276.380 1.927 20 10 CDCDRO CCC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000050193214 273621608 /nfs/dbraw/zinc/62/16/08/273621608.db2.gz JBHHQJMBQJBTJR-HNNXBMFYSA-N 1 0 278.396 1.978 20 10 CDCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000223946865 327164585 /nfs/dbraw/zinc/16/45/85/327164585.db2.gz TUFVLEZMEODTEK-TZMCWYRMSA-N 1 0 266.385 1.801 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1C ZINC000378345147 329046857 /nfs/dbraw/zinc/04/68/57/329046857.db2.gz HMQDISFYERBSBG-ZDUSSCGKSA-N 1 0 276.336 1.645 20 10 CDCDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1O ZINC000289602210 519806534 /nfs/dbraw/zinc/80/65/34/519806534.db2.gz BRUSJJIBZSMQEP-JSGCOSHPSA-N 1 0 262.353 1.643 20 10 CDCDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)[NH+](C)C ZINC000120273875 519809007 /nfs/dbraw/zinc/80/90/07/519809007.db2.gz PCWHEGVHPZVWAH-CQSZACIVSA-N 1 0 264.369 1.937 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@@H]1OC ZINC000274847851 520367550 /nfs/dbraw/zinc/36/75/50/520367550.db2.gz ATWGTJDAUXKUNH-BNOWGMLFSA-N 1 0 269.316 1.813 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)COC)cc1 ZINC000071269345 520905763 /nfs/dbraw/zinc/90/57/63/520905763.db2.gz FCXNFGUTDYMPQH-OAHLLOKOSA-N 1 0 266.385 1.630 20 10 CDCDRO CCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236880543 521114418 /nfs/dbraw/zinc/11/44/18/521114418.db2.gz ZLHGPKWTVXBPOI-LBPRGKRZSA-N 1 0 267.348 1.635 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)CCC(N)=O)c1 ZINC000289678378 521141675 /nfs/dbraw/zinc/14/16/75/521141675.db2.gz NVTGAAFYHTXLRV-UHFFFAOYSA-N 1 0 252.314 1.098 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000128195988 521851942 /nfs/dbraw/zinc/85/19/42/521851942.db2.gz IMMYMMRSAADEQU-CYBMUJFWSA-N 1 0 250.342 1.155 20 10 CDCDRO COc1c(O)c(C[N@@H+]2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278200150 521869105 /nfs/dbraw/zinc/86/91/05/521869105.db2.gz IVUZQQRUTOOXLO-SNVBAGLBSA-N 1 0 282.296 1.266 20 10 CDCDRO COc1cc(Cl)cc(C[N@H+](C)CCC(N)=O)c1O ZINC000289907115 522537529 /nfs/dbraw/zinc/53/75/29/522537529.db2.gz XADBUCQYCJYNLZ-UHFFFAOYSA-N 1 0 272.732 1.361 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1O ZINC000275850398 525950871 /nfs/dbraw/zinc/95/08/71/525950871.db2.gz HYPIMNPVGRUVIT-CYBMUJFWSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1O ZINC000279803478 526023155 /nfs/dbraw/zinc/02/31/55/526023155.db2.gz NSOJYRDIJNQJJJ-CYBMUJFWSA-N 1 0 292.379 1.749 20 10 CDCDRO Cc1ccc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(O)c1O ZINC000272770553 526215500 /nfs/dbraw/zinc/21/55/00/526215500.db2.gz SBBXUZGCESPEIA-GWCFXTLKSA-N 1 0 290.363 1.619 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CCOC3)C1)OCO2 ZINC000151296615 526337038 /nfs/dbraw/zinc/33/70/38/526337038.db2.gz JPOZYHLISHNQRN-HNNXBMFYSA-N 1 0 277.320 1.733 20 10 CDCDRO Nc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000037824231 527475948 /nfs/dbraw/zinc/47/59/48/527475948.db2.gz ACKOZSIUWDECEX-MRXNPFEDSA-N 1 0 287.407 1.898 20 10 CDCDRO C[C@@H](NC(=O)C[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000727309565 574578716 /nfs/dbraw/zinc/57/87/16/574578716.db2.gz AVPIBQCHULLCSV-CYBMUJFWSA-N 1 0 291.395 1.262 20 10 CDCDRO CC[NH+]1CCC(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000732275642 575085774 /nfs/dbraw/zinc/08/57/74/575085774.db2.gz FVXHKQVTJBDZHV-UHFFFAOYSA-N 1 0 268.382 1.915 20 10 CDCDRO O=CN1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000774203338 575188686 /nfs/dbraw/zinc/18/86/86/575188686.db2.gz VAQBZLKGHGOMLR-UHFFFAOYSA-N 1 0 285.438 1.836 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000769524592 575356701 /nfs/dbraw/zinc/35/67/01/575356701.db2.gz PHWVLTDUHGTKBG-NSHDSACASA-N 1 0 278.352 1.488 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@](C)(O)CCOC)c(O)c1 ZINC000734846793 575387583 /nfs/dbraw/zinc/38/75/83/575387583.db2.gz RBCFPBQAWDSFCZ-OAHLLOKOSA-N 1 0 283.368 1.668 20 10 CDCDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)c(O)c1 ZINC000770384350 575444095 /nfs/dbraw/zinc/44/40/95/575444095.db2.gz XNQAYNGIZQMKGO-GFCCVEGCSA-N 1 0 264.325 1.111 20 10 CDCDRO C[C@H]1C[C@H]([NH2+]CCOCCO)c2c1c(F)ccc2O ZINC000756360810 575793786 /nfs/dbraw/zinc/79/37/86/575793786.db2.gz DZJQJJDRAAUMPI-ONGXEEELSA-N 1 0 269.316 1.678 20 10 CDCDRO CCC[NH+]1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768137904 576260435 /nfs/dbraw/zinc/26/04/35/576260435.db2.gz OBTUGJHWNLNDCL-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO C[C@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444702 576283687 /nfs/dbraw/zinc/28/36/87/576283687.db2.gz BHJZTESRXPMGTH-ZANVPECISA-N 1 0 281.377 1.755 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)CCN1CCOCC1 ZINC000769307856 576344014 /nfs/dbraw/zinc/34/40/14/576344014.db2.gz KUYNEHXBJCOTJW-UHFFFAOYSA-N 1 0 280.368 1.165 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C)C2=O)cc1C ZINC000748242543 576902835 /nfs/dbraw/zinc/90/28/35/576902835.db2.gz PBTRYYWIRTTZIK-CYBMUJFWSA-N 1 0 262.353 1.719 20 10 CDCDRO CN(C)c1nccc(C[NH2+]Cc2cc(F)ccc2O)n1 ZINC000757868316 577058797 /nfs/dbraw/zinc/05/87/97/577058797.db2.gz ZHSJPNQEAXINGG-UHFFFAOYSA-N 1 0 276.315 1.677 20 10 CDCDRO Nc1ccc(CCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000892038142 617430402 /nfs/dbraw/zinc/43/04/02/617430402.db2.gz AICMYFCSMDSADK-LSDHHAIUSA-N 1 0 288.395 1.347 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)c(O)c1OC ZINC000893232246 617479128 /nfs/dbraw/zinc/47/91/28/617479128.db2.gz LBCPSQUEKHKXCV-HAQNSBGRSA-N 1 0 281.352 1.803 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000840940596 617640702 /nfs/dbraw/zinc/64/07/02/617640702.db2.gz ADZUNDWIQIOHFL-HOTGVXAUSA-N 1 0 292.423 1.796 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1O ZINC000892294543 617708077 /nfs/dbraw/zinc/70/80/77/617708077.db2.gz ZZYMQTAAWCSANS-QJPTWQEYSA-N 1 0 277.368 1.893 20 10 CDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840922167 617824289 /nfs/dbraw/zinc/82/42/89/617824289.db2.gz JMTHETFMYMHDOP-ZDUSSCGKSA-N 1 0 277.412 1.875 20 10 CDCDRO C[C@@H](NC(=O)NCC[NH2+]C1CC1)c1ccccc1O ZINC000891988506 617950169 /nfs/dbraw/zinc/95/01/69/617950169.db2.gz HYFHAPVMSMIYPU-SNVBAGLBSA-N 1 0 263.341 1.504 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)c1O ZINC000893984219 618237535 /nfs/dbraw/zinc/23/75/35/618237535.db2.gz LWYNHVAZYCSLQH-ZDUSSCGKSA-N 1 0 290.363 1.516 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000795584002 618390003 /nfs/dbraw/zinc/39/00/03/618390003.db2.gz VDYNZBZUZVJZQW-RYUDHWBXSA-N 1 0 281.352 1.135 20 10 CDCDRO CC[NH2+][C@H](C)CNCc1ccc(OCC)cc1O ZINC000841065696 618680098 /nfs/dbraw/zinc/68/00/98/618680098.db2.gz LCZFYCICKKLAHM-LLVKDONJSA-N 1 0 252.358 1.879 20 10 CDCDRO CCN(C)C(=O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894491183 618916538 /nfs/dbraw/zinc/91/65/38/618916538.db2.gz KRDQUKJJNRIZQU-UHFFFAOYSA-N 1 0 266.341 1.277 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(N3CN=NC3=O)CC2)c1 ZINC000894609417 618984301 /nfs/dbraw/zinc/98/43/01/618984301.db2.gz KOPMAANWVBNEDP-UHFFFAOYSA-N 1 0 288.351 1.835 20 10 CDCDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H](C)CO ZINC000894639477 619000982 /nfs/dbraw/zinc/00/09/82/619000982.db2.gz NBPTWRFAMIXNOX-JTQLQIEISA-N 1 0 269.341 1.612 20 10 CDCDRO CCN1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CC1=O ZINC000894722906 619035274 /nfs/dbraw/zinc/03/52/74/619035274.db2.gz JHWKEOGHVTYTPM-LLVKDONJSA-N 1 0 294.351 1.120 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894749617 619042687 /nfs/dbraw/zinc/04/26/87/619042687.db2.gz ABCLDCVDWOEPGX-SECBINFHSA-N 1 0 282.340 1.024 20 10 CDCDRO COCCN(CC[NH+](C)C)Cc1cc(C)cc(OC)c1O ZINC000894770911 619047487 /nfs/dbraw/zinc/04/74/87/619047487.db2.gz VFWOWWWGDRRKDC-UHFFFAOYSA-N 1 0 296.411 1.719 20 10 CDCDRO Cc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c1O ZINC000895118860 619311032 /nfs/dbraw/zinc/31/10/32/619311032.db2.gz QMJMVCVDITVSMJ-IJLUTSLNSA-N 1 0 262.353 1.798 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1O ZINC000895316076 619545970 /nfs/dbraw/zinc/54/59/70/619545970.db2.gz HYOZNIYTSUJRAS-LBPRGKRZSA-N 1 0 264.325 1.015 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000895784410 619841028 /nfs/dbraw/zinc/84/10/28/619841028.db2.gz HSTBJRMRUDPEMZ-PEYYIBSZSA-N 1 0 277.364 1.994 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2COC[C@H]2C)c1O ZINC000896732880 620216615 /nfs/dbraw/zinc/21/66/15/620216615.db2.gz LKZUGQBDHZFVCI-PWSUYJOCSA-N 1 0 251.326 1.834 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCC[N@H+]2CCC[C@H]2C)c1 ZINC000897515171 620892314 /nfs/dbraw/zinc/89/23/14/620892314.db2.gz LDEQXUWICUTUTC-CYBMUJFWSA-N 1 0 291.395 1.984 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H](CN)C2CC2)c(O)c1 ZINC000841029203 621020140 /nfs/dbraw/zinc/02/01/40/621020140.db2.gz VWCPQUXPTRDPDP-ZDUSSCGKSA-N 1 0 250.342 1.618 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897676765 621063716 /nfs/dbraw/zinc/06/37/16/621063716.db2.gz XKZBATCOYWECQZ-PWSUYJOCSA-N 1 0 251.326 1.522 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897684051 621072553 /nfs/dbraw/zinc/07/25/53/621072553.db2.gz JXGBVSSGDVOKPB-ZYHUDNBSSA-N 1 0 251.326 1.604 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc(F)ccc1O ZINC000897709902 621082740 /nfs/dbraw/zinc/08/27/40/621082740.db2.gz KPSWWMQWAMJGKY-UHFFFAOYSA-N 1 0 254.305 1.489 20 10 CDCDRO CC[C@@H](COC)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046163 621589854 /nfs/dbraw/zinc/58/98/54/621589854.db2.gz XEJUNLUIWXTUBC-ZFWWWQNUSA-N 1 0 265.401 1.767 20 10 CDCDRO C[NH2+]CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855910 621603044 /nfs/dbraw/zinc/60/30/44/621603044.db2.gz WQAJGZDBPDEFDA-UHFFFAOYSA-N 1 0 275.396 1.855 20 10 CDCDRO COC[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC[NH2+]1 ZINC000841067312 621699167 /nfs/dbraw/zinc/69/91/67/621699167.db2.gz MYZFJMCJFMSQMX-CQSZACIVSA-N 1 0 284.787 1.904 20 10 CDCDRO C[C@H](CCO)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448828 621740905 /nfs/dbraw/zinc/74/09/05/621740905.db2.gz YCVCJNLAZFAXGC-CZUORRHYSA-N 1 0 279.428 1.716 20 10 CDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001170509788 1162685308 /nfs/dbraw/zinc/68/53/08/1162685308.db2.gz PCPQDLVOGXWGKL-NEPJUHHUSA-N 1 0 279.336 1.572 20 10 CDCDRO COc1cccc(N)c1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170570842 1162957411 /nfs/dbraw/zinc/95/74/11/1162957411.db2.gz LNOCXNRIHPIUEK-SKDRFNHKSA-N 1 0 251.330 1.066 20 10 CDCDRO CC[C@]1(C(=O)NCc2ccc(N(C)C)cc2)CC[NH2+]C1 ZINC000062899680 1169088580 /nfs/dbraw/zinc/08/85/80/1169088580.db2.gz PTJAUJVOUXZPLX-INIZCTEOSA-N 1 0 275.396 1.759 20 10 CDCDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001576245011 1171370364 /nfs/dbraw/zinc/37/03/64/1171370364.db2.gz NEZCERYCQUFYKD-WDEREUQCSA-N 1 0 279.340 1.778 20 10 CDCDRO COc1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)c(O)c1OC ZINC001579218006 1172118540 /nfs/dbraw/zinc/11/85/40/1172118540.db2.gz MNVYQQIRDBAFFP-CJNGLKHVSA-N 1 0 292.379 1.784 20 10 CDCDRO COc1ccc(C[NH2+]CCOCCN(C)C(C)=O)cc1C ZINC001755869816 1186095236 /nfs/dbraw/zinc/09/52/36/1186095236.db2.gz PRUSXQIZFKHLMG-UHFFFAOYSA-N 1 0 294.395 1.588 20 10 CDCDRO C[C@]1(O)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876790710 1165916539 /nfs/dbraw/zinc/91/65/39/1165916539.db2.gz CKBQGWOKYWFVPO-KRWDZBQOSA-N 1 0 290.407 1.604 20 10 CDCDRO COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CC[NH2+]C2)c1 ZINC000817944795 837425850 /nfs/dbraw/zinc/42/58/50/837425850.db2.gz MJYCFTBHWYCJGF-KOLCDFICSA-N 1 0 264.325 1.191 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@@H]2CC(=O)N(CC)C2)c1O ZINC000846092937 837545229 /nfs/dbraw/zinc/54/52/29/837545229.db2.gz KVXPZNIPMBLMRN-LBPRGKRZSA-N 1 0 292.379 1.749 20 10 CDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000724870168 837555303 /nfs/dbraw/zinc/55/53/03/837555303.db2.gz RJIIHQOYCMSUPX-DGCLKSJQSA-N 1 0 255.289 1.425 20 10 CDCDRO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1O ZINC000825278912 837687128 /nfs/dbraw/zinc/68/71/28/837687128.db2.gz KZHSIAYGWNQERP-CQSZACIVSA-N 1 0 291.395 1.936 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC000866418807 837687164 /nfs/dbraw/zinc/68/71/64/837687164.db2.gz USIDXHGKFDBKAN-DFBGVHRSSA-N 1 0 264.369 1.553 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000817367627 835804010 /nfs/dbraw/zinc/80/40/10/835804010.db2.gz KLMFGXQEQOEOAS-MRXNPFEDSA-N 1 0 288.391 1.981 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCCNC2=O)cc1F ZINC000858095681 835857146 /nfs/dbraw/zinc/85/71/46/835857146.db2.gz RPTVDRKLQYAHEH-ZDUSSCGKSA-N 1 0 297.349 1.789 20 10 CDCDRO CN(C)C(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921630863 835953108 /nfs/dbraw/zinc/95/31/08/835953108.db2.gz BCRKRWPVDQYFKT-UHFFFAOYSA-N 1 0 262.353 1.580 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000778193310 835990151 /nfs/dbraw/zinc/99/01/51/835990151.db2.gz ZKLDBUBTNUZFQI-CHWSQXEVSA-N 1 0 251.326 1.650 20 10 CDCDRO Oc1cc2c(cc1C[N@H+]1CCC[C@H](O)C1)OCO2 ZINC000007011659 836005556 /nfs/dbraw/zinc/00/55/56/836005556.db2.gz LYQDAXMUUFVWTA-JTQLQIEISA-N 1 0 251.282 1.078 20 10 CDCDRO CCc1cccc(C[NH2+]CCCN2CCC(O)CC2)c1O ZINC000848894194 836057596 /nfs/dbraw/zinc/05/75/96/836057596.db2.gz KOAZXMHTDAFWCI-UHFFFAOYSA-N 1 0 292.423 1.891 20 10 CDCDRO CCN1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)CC1=O ZINC000391497417 836058798 /nfs/dbraw/zinc/05/87/98/836058798.db2.gz TVXQAEDGUVLCLY-NWDGAFQWSA-N 1 0 262.353 1.972 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+](C)CCNC(=O)N(C)C ZINC000877140534 836062139 /nfs/dbraw/zinc/06/21/39/836062139.db2.gz VFXNPSATVXVIDQ-UHFFFAOYSA-N 1 0 265.357 1.404 20 10 CDCDRO CCOc1cccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1O ZINC000846067996 836070238 /nfs/dbraw/zinc/07/02/38/836070238.db2.gz OGIAFVKAOZHZRX-CQSZACIVSA-N 1 0 292.379 1.042 20 10 CDCDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819077844 836111501 /nfs/dbraw/zinc/11/15/01/836111501.db2.gz PEEQZEJJVRJFTA-INIZCTEOSA-N 1 0 280.412 1.938 20 10 CDCDRO COc1cc(O)c(CN2CC[NH2+]C[C@H]2C)cc1OC ZINC000843047190 836120454 /nfs/dbraw/zinc/12/04/54/836120454.db2.gz JDPNCDKMHJGBON-SNVBAGLBSA-N 1 0 266.341 1.203 20 10 CDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CC(F)(F)C2)cc1 ZINC000832265828 836221492 /nfs/dbraw/zinc/22/14/92/836221492.db2.gz AAPXDQYYTKISQF-CYBMUJFWSA-N 1 0 297.349 1.914 20 10 CDCDRO COC(=O)N1CC([NH2+]Cc2c(C)cccc2O)C1 ZINC000877098725 836243246 /nfs/dbraw/zinc/24/32/46/836243246.db2.gz VWWRCIHBFWLHNJ-UHFFFAOYSA-N 1 0 250.298 1.241 20 10 CDCDRO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817967620 836258980 /nfs/dbraw/zinc/25/89/80/836258980.db2.gz KPWNNAUPQDDHPW-JTQLQIEISA-N 1 0 277.324 1.871 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817962237 836266716 /nfs/dbraw/zinc/26/67/16/836266716.db2.gz JRWUZZZIAWIAFR-DTWKUNHWSA-N 1 0 253.302 1.546 20 10 CDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000817367625 836309061 /nfs/dbraw/zinc/30/90/61/836309061.db2.gz KLMFGXQEQOEOAS-INIZCTEOSA-N 1 0 288.391 1.981 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]CCOC)cc1 ZINC000178712632 836473856 /nfs/dbraw/zinc/47/38/56/836473856.db2.gz ODQFHYYOYHOCDG-UHFFFAOYSA-N 1 0 293.411 1.385 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(O)c1 ZINC000876596901 836482465 /nfs/dbraw/zinc/48/24/65/836482465.db2.gz VITNDULLIPFFAH-AWEZNQCLSA-N 1 0 274.364 1.944 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000858580678 836808175 /nfs/dbraw/zinc/80/81/75/836808175.db2.gz UEKJBDGYIDANIV-ONGXEEELSA-N 1 0 264.325 1.377 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000123243545 836853842 /nfs/dbraw/zinc/85/38/42/836853842.db2.gz PQHABFTUOKXTIO-GFCCVEGCSA-N 1 0 279.336 1.786 20 10 CDCDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(O)c2O)C[C@H]1C ZINC000790910798 836861846 /nfs/dbraw/zinc/86/18/46/836861846.db2.gz BQLAHBMHUYSQHY-GHMZBOCLSA-N 1 0 278.352 1.653 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)c1O ZINC000858580095 836938046 /nfs/dbraw/zinc/93/80/46/836938046.db2.gz KHRXAUDGMDJSGW-ZJUUUORDSA-N 1 0 282.340 1.460 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(F)ccc(O)c3O)CC[C@H]21 ZINC000881440078 836966228 /nfs/dbraw/zinc/96/62/28/836966228.db2.gz SFGJXRWPVAQZAJ-MWLCHTKSSA-N 1 0 294.326 1.403 20 10 CDCDRO COCCCNC(=O)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000068960211 837027392 /nfs/dbraw/zinc/02/73/92/837027392.db2.gz KCBGVIYWSVFBOA-UHFFFAOYSA-N 1 0 294.395 1.594 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cc1C ZINC000858281866 837033699 /nfs/dbraw/zinc/03/36/99/837033699.db2.gz OLFMZLHDSBSBGQ-DGCLKSJQSA-N 1 0 283.393 1.674 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc2ccccc2c1O ZINC000323317377 837071859 /nfs/dbraw/zinc/07/18/59/837071859.db2.gz SOIWSMMHDIJNLE-COLVAYQJSA-N 1 0 273.332 1.956 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC(=O)O2)c1 ZINC000851900337 837165301 /nfs/dbraw/zinc/16/53/01/837165301.db2.gz SIKPWLDRIYKKER-GXSJLCMTSA-N 1 0 265.309 1.757 20 10 CDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000827501158 837286019 /nfs/dbraw/zinc/28/60/19/837286019.db2.gz SGPJPZWZEFVEAE-BETUJISGSA-N 1 0 261.321 1.663 20 10 CDCDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779547137 837299946 /nfs/dbraw/zinc/29/99/46/837299946.db2.gz IYJUXJQJLIKIPR-ONYUAGEFSA-N 1 0 290.363 1.662 20 10 CDCDRO C[N@H+](Cc1cn[nH]c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775699913 837345677 /nfs/dbraw/zinc/34/56/77/837345677.db2.gz JQAQXYKGQXQKOD-UHFFFAOYSA-N 1 0 299.422 1.794 20 10 CDCDRO CN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000704316602 837376585 /nfs/dbraw/zinc/37/65/85/837376585.db2.gz RATRWSNNJISSIQ-NSHDSACASA-N 1 0 268.744 1.756 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCCc2cnn(C)n2)c1O ZINC000846169840 837381451 /nfs/dbraw/zinc/38/14/51/837381451.db2.gz KLEUEZDMNDMIKM-LLVKDONJSA-N 1 0 290.367 1.813 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccccc1O ZINC000806664016 837842707 /nfs/dbraw/zinc/84/27/07/837842707.db2.gz XNQAONSSCGUZFK-JQWIXIFHSA-N 1 0 282.409 1.911 20 10 CDCDRO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC[N@@H+]1C ZINC000779526101 838078376 /nfs/dbraw/zinc/07/83/76/838078376.db2.gz VJNJURWILGXEGA-FJYXQWIHSA-N 1 0 290.363 1.710 20 10 CDCDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817979638 838088862 /nfs/dbraw/zinc/08/88/62/838088862.db2.gz CINCVFCBHITNRV-BBRMVZONSA-N 1 0 277.412 1.782 20 10 CDCDRO CCOc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC000841026585 838097733 /nfs/dbraw/zinc/09/77/33/838097733.db2.gz KEADKVOQVGZLLL-RISCZKNCSA-N 1 0 262.353 1.585 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000858281044 838114937 /nfs/dbraw/zinc/11/49/37/838114937.db2.gz CHQDJRHKVWGPTI-UHFFFAOYSA-N 1 0 277.368 1.594 20 10 CDCDRO COC1(OC)CCOC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000931676018 838235269 /nfs/dbraw/zinc/23/52/69/838235269.db2.gz SROXOZHPCHSGEE-OAHLLOKOSA-N 1 0 294.395 1.620 20 10 CDCDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000934939164 838769209 /nfs/dbraw/zinc/76/92/09/838769209.db2.gz OSKUIVQHSWCJCL-ZDUSSCGKSA-N 1 0 292.379 1.629 20 10 CDCDRO OCC[NH+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000862429407 838816334 /nfs/dbraw/zinc/81/63/34/838816334.db2.gz GLDCWODYLHLLOU-UHFFFAOYSA-N 1 0 287.359 1.846 20 10 CDCDRO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)c(O)c1O ZINC000780855353 838828090 /nfs/dbraw/zinc/82/80/90/838828090.db2.gz JBGZFKUQBLKHBH-UHFFFAOYSA-N 1 0 278.352 1.622 20 10 CDCDRO COC(=O)CN(CCC[NH3+])Cc1cc(Cl)ccc1O ZINC000841006288 838847762 /nfs/dbraw/zinc/84/77/62/838847762.db2.gz KAQYLMYDMMBGES-UHFFFAOYSA-N 1 0 286.759 1.369 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000830086173 838984583 /nfs/dbraw/zinc/98/45/83/838984583.db2.gz VEIPTNMQMYGMLH-CHWSQXEVSA-N 1 0 299.754 1.752 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000858517359 839021488 /nfs/dbraw/zinc/02/14/88/839021488.db2.gz GUAYNKCYXPZQGX-NSHDSACASA-N 1 0 265.357 1.450 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)CCC[NH3+])cc1F ZINC000841761661 839079634 /nfs/dbraw/zinc/07/96/34/839079634.db2.gz RBBZTUPIUXIEOY-UHFFFAOYSA-N 1 0 282.363 1.382 20 10 CDCDRO CCOc1cccc(C[N@H+](C)C[C@@H]2COCCO2)c1O ZINC000827139723 839106827 /nfs/dbraw/zinc/10/68/27/839106827.db2.gz CYTIYPLJGKMWGL-CYBMUJFWSA-N 1 0 281.352 1.638 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(O)c1O ZINC000718962759 839177322 /nfs/dbraw/zinc/17/73/22/839177322.db2.gz UJDDPDCWJXTEHQ-WDEREUQCSA-N 1 0 276.336 1.407 20 10 CDCDRO COC(=O)N1CC([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825357416 839181461 /nfs/dbraw/zinc/18/14/61/839181461.db2.gz FBFKYYFGZHJOHV-UHFFFAOYSA-N 1 0 284.743 1.894 20 10 CDCDRO CN1CCCc2cc(CNC(=O)CC3(C[NH3+])CC3)ccc21 ZINC000827913650 839259884 /nfs/dbraw/zinc/25/98/84/839259884.db2.gz FPSYKJKUPNOPKW-UHFFFAOYSA-N 1 0 287.407 1.814 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1OC ZINC000827700629 839329679 /nfs/dbraw/zinc/32/96/79/839329679.db2.gz WAQAESVXLMTRCN-BDJLRTHQSA-N 1 0 295.379 1.860 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858174496 839768208 /nfs/dbraw/zinc/76/82/08/839768208.db2.gz RTFDOUMUJIBKKD-SECBINFHSA-N 1 0 285.338 1.645 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000817996828 839797790 /nfs/dbraw/zinc/79/77/90/839797790.db2.gz LZYGKGCFBLPGAH-UHIISALHSA-N 1 0 292.379 1.966 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])c(O)c1 ZINC000872298104 839813334 /nfs/dbraw/zinc/81/33/34/839813334.db2.gz ASPHLLOOASYJHD-KGLIPLIRSA-N 1 0 292.379 1.925 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1=O ZINC000722349101 839819109 /nfs/dbraw/zinc/81/91/09/839819109.db2.gz XWZXXIWTCFTNCE-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778188116 839876326 /nfs/dbraw/zinc/87/63/26/839876326.db2.gz RDYPRRKRXCAGJH-NSHDSACASA-N 1 0 273.336 1.702 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CN)C(C)(C)C)cc1OC ZINC000841086979 839892970 /nfs/dbraw/zinc/89/29/70/839892970.db2.gz GSXLRKITYPFUEU-CQSZACIVSA-N 1 0 282.384 1.872 20 10 CDCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831751 839978970 /nfs/dbraw/zinc/97/89/70/839978970.db2.gz DLOAHMIHKBCERP-ZDUSSCGKSA-N 1 0 288.395 1.599 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)CC2([NH3+])CCC2)c1 ZINC000828667665 840007721 /nfs/dbraw/zinc/00/77/21/840007721.db2.gz SXVWGMCFNRLKFI-SNVBAGLBSA-N 1 0 278.352 1.850 20 10 CDCDRO Nc1ccc(CCNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000841918062 840025972 /nfs/dbraw/zinc/02/59/72/840025972.db2.gz AHLGTXIVMAEFTF-UHFFFAOYSA-N 1 0 276.384 1.253 20 10 CDCDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)ccc1OC ZINC000886243281 840067442 /nfs/dbraw/zinc/06/74/42/840067442.db2.gz UIZFLJVXIYUSGN-QKDCVEJESA-N 1 0 295.379 1.206 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000857062151 840349587 /nfs/dbraw/zinc/34/95/87/840349587.db2.gz YRVRYROPGWHQKS-NWDGAFQWSA-N 1 0 265.353 1.851 20 10 CDCDRO COc1ccc(C[NH2+]Cc2snnc2C)c(O)c1 ZINC000384224551 840428754 /nfs/dbraw/zinc/42/87/54/840428754.db2.gz FVOVVTAGEFXRHD-UHFFFAOYSA-N 1 0 265.338 1.851 20 10 CDCDRO COc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c1O ZINC000775983095 840525847 /nfs/dbraw/zinc/52/58/47/840525847.db2.gz BBZBYQPOLZVXJF-NEPJUHHUSA-N 1 0 264.369 1.925 20 10 CDCDRO COCCOC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649118 840790110 /nfs/dbraw/zinc/79/01/10/840790110.db2.gz ISGVKOXWHSYZEW-VXGBXAGGSA-N 1 0 269.341 1.067 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000069143153 840818607 /nfs/dbraw/zinc/81/86/07/840818607.db2.gz QHNDKDJAPXPWLO-LLVKDONJSA-N 1 0 285.365 1.068 20 10 CDCDRO C[C@H]([NH3+])CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000861620747 840887646 /nfs/dbraw/zinc/88/76/46/840887646.db2.gz LHLGPXDGEWQJSU-RYUDHWBXSA-N 1 0 278.400 1.802 20 10 CDCDRO COc1cc(O)c(C[NH2+]CCN2CC[C@H](C)C2)cc1OC ZINC000777483255 840892753 /nfs/dbraw/zinc/89/27/53/840892753.db2.gz KINOWXRHMWRFKZ-LBPRGKRZSA-N 1 0 294.395 1.841 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000819076734 841384287 /nfs/dbraw/zinc/38/42/87/841384287.db2.gz FDGALILYEQVLFH-KRWDZBQOSA-N 1 0 291.439 1.606 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1O ZINC000136823012 841401577 /nfs/dbraw/zinc/40/15/77/841401577.db2.gz CLSYDXPEKMBVTP-NEPJUHHUSA-N 1 0 265.353 1.994 20 10 CDCDRO CCCOc1ccc(C[NH2+]C[C@@H](O)CO)cc1C ZINC000873116840 841412099 /nfs/dbraw/zinc/41/20/99/841412099.db2.gz OEKBFLMZGBDGDW-CYBMUJFWSA-N 1 0 253.342 1.227 20 10 CDCDRO Cc1cncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832274830 841580364 /nfs/dbraw/zinc/58/03/64/841580364.db2.gz ZNYBBTZSCXHBLZ-INIZCTEOSA-N 1 0 298.390 1.886 20 10 CDCDRO CN(Cc1ncnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000877343117 841626706 /nfs/dbraw/zinc/62/67/06/841626706.db2.gz VKECMKMIYOFPAG-UHFFFAOYSA-N 1 0 289.383 1.392 20 10 CDCDRO C[C@@H](CCNC(=O)c1c(F)ccc(O)c1O)[NH+](C)C ZINC000857308234 841681849 /nfs/dbraw/zinc/68/18/49/841681849.db2.gz LHWKJIKYJTVILQ-QMMMGPOBSA-N 1 0 270.304 1.307 20 10 CDCDRO O=C1[C@H]([NH2+]Cc2cc(F)ccc2O)C[C@@H]2CCCCN12 ZINC000835075014 841789049 /nfs/dbraw/zinc/78/90/49/841789049.db2.gz UJGYWFALLPANIB-QWHCGFSZSA-N 1 0 278.327 1.774 20 10 CDCDRO COc1ccc(N2CCN(C[C@H](C)[NH3+])CC2)cc1F ZINC000844221548 841829303 /nfs/dbraw/zinc/82/93/03/841829303.db2.gz PXKPTQSUCDILHS-NSHDSACASA-N 1 0 267.348 1.304 20 10 CDCDRO CCN1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)CC1=O ZINC000391497420 841844527 /nfs/dbraw/zinc/84/45/27/841844527.db2.gz TVXQAEDGUVLCLY-VXGBXAGGSA-N 1 0 262.353 1.972 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000846107352 841856225 /nfs/dbraw/zinc/85/62/25/841856225.db2.gz HUFAHGKSHKJXCX-HNNXBMFYSA-N 1 0 281.352 1.422 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC(CO)(CO)CC2)cc1F ZINC000877797169 841874227 /nfs/dbraw/zinc/87/42/27/841874227.db2.gz DZGFKEGAMOQVGD-UHFFFAOYSA-N 1 0 296.386 1.459 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841970227 841878956 /nfs/dbraw/zinc/87/89/56/841878956.db2.gz KOELUOOXQNCTOX-INIZCTEOSA-N 1 0 291.395 1.923 20 10 CDCDRO Oc1ccccc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846109912 841981929 /nfs/dbraw/zinc/98/19/29/841981929.db2.gz KNSTYFUCPSGNOW-AWEZNQCLSA-N 1 0 251.326 1.413 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846158291 842025093 /nfs/dbraw/zinc/02/50/93/842025093.db2.gz WKNHJPMYWTZJKU-CYZMBNFOSA-N 1 0 292.379 1.966 20 10 CDCDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817945496 842348937 /nfs/dbraw/zinc/34/89/37/842348937.db2.gz DZAGZONRDYLXQV-QWRGUYRKSA-N 1 0 279.340 1.951 20 10 CDCDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000844172939 842394834 /nfs/dbraw/zinc/39/48/34/842394834.db2.gz KNUPVDBAFHPQCF-OKILXGFUSA-N 1 0 273.380 1.640 20 10 CDCDRO CN(C)C(=O)CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921607542 842590484 /nfs/dbraw/zinc/59/04/84/842590484.db2.gz ZVQSQJCZFJFFDM-UHFFFAOYSA-N 1 0 276.380 1.970 20 10 CDCDRO COc1ccc(O)c(CN(C)CC[NH+]2CCCC2)c1 ZINC000133910225 842714555 /nfs/dbraw/zinc/71/45/55/842714555.db2.gz FLZCBLSTFFZQML-UHFFFAOYSA-N 1 0 264.369 1.928 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)NCC(C)(C)[NH3+] ZINC000841826235 842752325 /nfs/dbraw/zinc/75/23/25/842752325.db2.gz FJYJCVHZXGYRLJ-UHFFFAOYSA-N 1 0 278.400 1.598 20 10 CDCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000134137202 842802868 /nfs/dbraw/zinc/80/28/68/842802868.db2.gz IEOXVMKZNNPSNI-GFCCVEGCSA-N 1 0 296.798 1.952 20 10 CDCDRO Cc1ncoc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267046 842829732 /nfs/dbraw/zinc/82/97/32/842829732.db2.gz LVJMXSVHDVAJIK-CYBMUJFWSA-N 1 0 288.351 1.479 20 10 CDCDRO Cc1ccc(C[NH2+]C(C)(C)CN2CCOCC2)c(O)c1 ZINC000877588981 842898674 /nfs/dbraw/zinc/89/86/74/842898674.db2.gz DRZOGZAAGRWWIH-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CC(=O)N2CCOCC2)cc1Cl ZINC000825406505 842908009 /nfs/dbraw/zinc/90/80/09/842908009.db2.gz UKYXPBMSIQKDDO-UHFFFAOYSA-N 1 0 298.770 1.302 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000852801824 842913229 /nfs/dbraw/zinc/91/32/29/842913229.db2.gz ARKIQNVWLSBRPR-XWIASGKRSA-N 1 0 278.352 1.705 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000848411585 842917501 /nfs/dbraw/zinc/91/75/01/842917501.db2.gz SNLGAKPMORRZKL-LBPRGKRZSA-N 1 0 293.436 1.464 20 10 CDCDRO O=C(CC[NH2+]C1CC1)NCCCSc1nccs1 ZINC000848400317 842959204 /nfs/dbraw/zinc/95/92/04/842959204.db2.gz GWADNHWGFIMSFO-UHFFFAOYSA-N 1 0 285.438 1.884 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000832659195 842979736 /nfs/dbraw/zinc/97/97/36/842979736.db2.gz SCEXNMRIOWILEW-KRWDZBQOSA-N 1 0 295.386 1.815 20 10 CDCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)F ZINC000698651745 912625838 /nfs/dbraw/zinc/62/58/38/912625838.db2.gz BOVWDSFGOBRWDO-CYBMUJFWSA-N 1 0 257.280 1.727 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C(F)F)cc1 ZINC000698657627 912635592 /nfs/dbraw/zinc/63/55/92/912635592.db2.gz WRBNNDRNTBDHPN-ZDUSSCGKSA-N 1 0 258.312 1.858 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)c1O ZINC001173747708 912784104 /nfs/dbraw/zinc/78/41/04/912784104.db2.gz CJVAADUFCVBSCH-KBPBESRZSA-N 1 0 287.367 1.961 20 10 CDCDRO Oc1ccc(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)cc1O ZINC001173754988 912786752 /nfs/dbraw/zinc/78/67/52/912786752.db2.gz FQBBONMANIYKMI-NEPJUHHUSA-N 1 0 289.339 1.358 20 10 CDCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463093 896173878 /nfs/dbraw/zinc/17/38/78/896173878.db2.gz SDMRBPHCFNJUAN-ZIAGYGMSSA-N 1 0 285.771 1.611 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CN(C)C(=O)CO3)c1 ZINC001272622334 914196268 /nfs/dbraw/zinc/19/62/68/914196268.db2.gz DXYCBJWQISQOMJ-MRXNPFEDSA-N 1 0 290.363 1.134 20 10 CDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001141156088 899822279 /nfs/dbraw/zinc/82/22/79/899822279.db2.gz DUSMNAUERRGAJF-CQSZACIVSA-N 1 0 269.316 1.784 20 10 CDCDRO COc1cc(O)c(CN2CCC[NH2+]CC2)cc1Cl ZINC001204674854 901537298 /nfs/dbraw/zinc/53/72/98/901537298.db2.gz GUTVADXKQBEJAN-UHFFFAOYSA-N 1 0 270.760 1.850 20 10 CDCDRO CC(C)c1ccc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(O)c1 ZINC001204837282 907616164 /nfs/dbraw/zinc/61/61/64/907616164.db2.gz ZJKUDDRLWHZSMU-OLZOCXBDSA-N 1 0 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278.400 1.407 20 10 CDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138496508 934464923 /nfs/dbraw/zinc/46/49/23/934464923.db2.gz RWZBDRXIQGYNFV-YOEHRIQHSA-N 1 0 290.407 1.726 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000688453955 934610769 /nfs/dbraw/zinc/61/07/69/934610769.db2.gz QZZAZDUOAMYLLO-ZDUSSCGKSA-N 1 0 261.369 1.221 20 10 CDCDRO COc1ccc(C[NH2+]C2CC(NS(C)(=O)=O)C2)cc1C ZINC000800890794 935946880 /nfs/dbraw/zinc/94/68/80/935946880.db2.gz SQLIJXSEWLPYSY-UHFFFAOYSA-N 1 0 298.408 1.173 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2cnc(C)n2C)c1 ZINC000689212135 936081673 /nfs/dbraw/zinc/08/16/73/936081673.db2.gz SOXQJKMMZITMIB-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO CC[C@@H](C(=O)NCc1cccc(O)c1O)[NH+](C)C ZINC001123890539 936240053 /nfs/dbraw/zinc/24/00/53/936240053.db2.gz ZMUSXYJZCSJMMO-JTQLQIEISA-N 1 0 252.314 1.054 20 10 CDCDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)Cc1ccc(N)cc1 ZINC001160542343 938797497 /nfs/dbraw/zinc/79/74/97/938797497.db2.gz 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COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)cc1O ZINC001231634627 942948768 /nfs/dbraw/zinc/94/87/68/942948768.db2.gz PXXYOJBLFLLROH-HNNXBMFYSA-N 1 0 281.352 1.843 20 10 CDCDRO COc1cc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c(O)cc1O ZINC001231637161 942953119 /nfs/dbraw/zinc/95/31/19/942953119.db2.gz GSKPTRMSKLNVEH-XDMRBOTDSA-N 1 0 279.336 1.573 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(O)c1 ZINC001231841395 943023678 /nfs/dbraw/zinc/02/36/78/943023678.db2.gz ARGCSHFYXHRTCW-IUODEOHRSA-N 1 0 265.353 1.184 20 10 CDCDRO Cc1cc(C)c(C[NH+]2CCN(C(N)=O)CC2)c(O)c1 ZINC001231845454 943026488 /nfs/dbraw/zinc/02/64/88/943026488.db2.gz LOLBLPRVYIJSHC-UHFFFAOYSA-N 1 0 263.341 1.205 20 10 CDCDRO Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(O)c1 ZINC001231843826 943027055 /nfs/dbraw/zinc/02/70/55/943027055.db2.gz GVTKXYWOPSOJTP-JLJPHGGASA-N 1 0 291.391 1.981 20 10 CDCDRO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1CO ZINC001231852076 943031713 /nfs/dbraw/zinc/03/17/13/943031713.db2.gz 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C[C@@H]1CN(Cc2cc(Cl)c(O)cc2O)C[C@@H](C)[NH2+]1 ZINC001236579861 944516286 /nfs/dbraw/zinc/51/62/86/944516286.db2.gz WZJCYPJBPXQLOO-RKDXNWHRSA-N 1 0 270.760 1.933 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1OC ZINC001236750100 944556900 /nfs/dbraw/zinc/55/69/00/944556900.db2.gz JBQMZDZPLFKWBV-MNOVXSKESA-N 1 0 281.352 1.612 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)cc1OC ZINC001236750343 944557539 /nfs/dbraw/zinc/55/75/39/944557539.db2.gz RGCROYXHFQLLLI-NWDGAFQWSA-N 1 0 299.342 1.704 20 10 CDCDRO COc1cc(O)c(CN(C)[C@H]2CC[N@H+](C)C2)cc1OC ZINC001236756370 944560649 /nfs/dbraw/zinc/56/06/49/944560649.db2.gz NZFFYBCFWLJIQS-LBPRGKRZSA-N 1 0 280.368 1.545 20 10 CDCDRO CCN(CC)c1ccc(CN2CC[NH2+]C2)c(OC)c1 ZINC001236843269 944590363 /nfs/dbraw/zinc/59/03/63/944590363.db2.gz GOFFSKSTMMSTAL-UHFFFAOYSA-N 1 0 263.385 1.904 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c(O)c1 ZINC001237047173 944647625 /nfs/dbraw/zinc/64/76/25/944647625.db2.gz UBJIELWTLMAUHI-AWEZNQCLSA-N 1 0 292.379 1.844 20 10 CDCDRO C[NH+]1CCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237122570 944661163 /nfs/dbraw/zinc/66/11/63/944661163.db2.gz WEYKDNNVJRQBDI-UHFFFAOYSA-N 1 0 258.724 1.932 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001237485782 944811543 /nfs/dbraw/zinc/81/15/43/944811543.db2.gz SJRWEZKJONWNQO-ZDUSSCGKSA-N 1 0 277.364 1.816 20 10 CDCDRO Cc1cccc(O)c1CN1CCOC[C@@H]1C[NH+](C)C ZINC001237491179 944813408 /nfs/dbraw/zinc/81/34/08/944813408.db2.gz IBKIQCXSXCQFJJ-ZDUSSCGKSA-N 1 0 264.369 1.463 20 10 CDCDRO COc1cc(C[N@H+](C)[C@@H]2CCOC2)c(O)c(OC)c1 ZINC001237675220 944919584 /nfs/dbraw/zinc/91/95/84/944919584.db2.gz CBIWWPCSRQCIMW-LLVKDONJSA-N 1 0 267.325 1.630 20 10 CDCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237683861 944922187 /nfs/dbraw/zinc/92/21/87/944922187.db2.gz LKLPKCCTOIUAPR-NSHDSACASA-N 1 0 267.325 1.630 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1O ZINC001238059492 945045354 /nfs/dbraw/zinc/04/53/54/945045354.db2.gz DDEHUTMCDORLHA-ZWNOBZJWSA-N 1 0 269.316 1.015 20 10 CDCDRO Cn1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1=O ZINC001242727750 946858412 /nfs/dbraw/zinc/85/84/12/946858412.db2.gz CHFSMRJTLUBGJF-UHFFFAOYSA-N 1 0 272.352 1.516 20 10 CDCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N(C)C)C2)c1O ZINC001278356985 946984627 /nfs/dbraw/zinc/98/46/27/946984627.db2.gz DQQIKAULZKGVJJ-CXAGYDPISA-N 1 0 288.391 1.919 20 10 CDCDRO COCCn1ccc(-c2ccc3c[nH+]cn3c2)cc1=O ZINC001245897672 947836622 /nfs/dbraw/zinc/83/66/22/947836622.db2.gz VBFWIDZDOHSVOW-UHFFFAOYSA-N 1 0 269.304 1.809 20 10 CDCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246250767 948054778 /nfs/dbraw/zinc/05/47/78/948054778.db2.gz YDVVOULQJUOQBR-JQWIXIFHSA-N 1 0 250.342 1.370 20 10 CDCDRO C[C@H]1CC[C@H](NCCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246248858 948055361 /nfs/dbraw/zinc/05/53/61/948055361.db2.gz WCLUWSWQQDKAKE-JQWIXIFHSA-N 1 0 250.342 1.370 20 10 CDCDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001257028057 948485606 /nfs/dbraw/zinc/48/56/06/948485606.db2.gz QAEWKAHSRVLTHL-JQWIXIFHSA-N 1 0 279.336 1.919 20 10 CDCDRO CCC[C@@H](C)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257305008 948567117 /nfs/dbraw/zinc/56/71/17/948567117.db2.gz UEDMZCJXLIVBFR-PWSUYJOCSA-N 1 0 281.352 1.960 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)c(O)c1 ZINC001249171735 949437392 /nfs/dbraw/zinc/43/73/92/949437392.db2.gz FHWGGYOMENDLRF-UHFFFAOYSA-N 1 0 293.363 1.719 20 10 CDCDRO C[C@H]1CC[N@H+](CCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001325051483 953699639 /nfs/dbraw/zinc/69/96/39/953699639.db2.gz SAQNCTNTHINSFQ-PYEVWLCESA-N 1 0 290.363 1.569 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](C)O ZINC001325843756 954100187 /nfs/dbraw/zinc/10/01/87/954100187.db2.gz HDCCMMQYNYVKRQ-NEPJUHHUSA-N 1 0 296.386 1.646 20 10 CDCDRO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)C3)cc2F)CC1 ZINC001326453533 954391427 /nfs/dbraw/zinc/39/14/27/954391427.db2.gz XRSCXOXSEZONLP-OKILXGFUSA-N 1 0 293.386 1.190 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(N)cc1 ZINC001336118332 955247916 /nfs/dbraw/zinc/24/79/16/955247916.db2.gz YKBKCLSEGZRPOY-LBPRGKRZSA-N 1 0 250.346 1.051 20 10 CDCDRO COC1(OC)CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001308529898 956540430 /nfs/dbraw/zinc/54/04/30/956540430.db2.gz QADQDTOJASDHAO-UHFFFAOYSA-N 1 0 263.337 1.863 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)c1 ZINC001308869318 956593818 /nfs/dbraw/zinc/59/38/18/956593818.db2.gz ORSQZCLJMVHJGL-AAEUAGOBSA-N 1 0 262.353 1.847 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(C)OCCO2)c1O ZINC001331534785 957124381 /nfs/dbraw/zinc/12/43/81/957124381.db2.gz YWPXOVSSHHSAMW-UHFFFAOYSA-N 1 0 267.325 1.562 20 10 CDCDRO COc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)c(O)c1 ZINC001332449517 957568219 /nfs/dbraw/zinc/56/82/19/957568219.db2.gz GVRJWUQAQGCLGY-CYBMUJFWSA-N 1 0 278.352 1.549 20 10 CDCDRO Nc1ccc(CN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC001335286197 959682889 /nfs/dbraw/zinc/68/28/89/959682889.db2.gz VYQRSSHNLZRIMY-UHFFFAOYSA-N 1 0 289.423 1.813 20 10 CDCDRO COc1ccc(C[NH2+]CC2(C)COC2)c(O)c1OC ZINC001336716379 960498891 /nfs/dbraw/zinc/49/88/91/960498891.db2.gz JDFZQBPPNUUZQW-UHFFFAOYSA-N 1 0 267.325 1.536 20 10 CDCDRO C[NH2+]C1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC001340189228 962805544 /nfs/dbraw/zinc/80/55/44/962805544.db2.gz AMLCZIZTNYFROI-UHFFFAOYSA-N 1 0 279.359 1.650 20 10 CDCDRO COc1ccc(CNC(=O)CCSCCC[NH3+])c(O)c1 ZINC001340322432 962886716 /nfs/dbraw/zinc/88/67/16/962886716.db2.gz UWHYODKFJCXXSL-UHFFFAOYSA-N 1 0 298.408 1.489 20 10 CDCDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(N)cc1 ZINC001342023970 963613198 /nfs/dbraw/zinc/61/31/98/963613198.db2.gz YPIOPKYWDDEKEX-RYUDHWBXSA-N 1 0 261.369 1.758 20 10 CDCDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001343567879 964044169 /nfs/dbraw/zinc/04/41/69/964044169.db2.gz UIXBJIYUVXYQNV-HIFRSBDPSA-N 1 0 261.369 1.793 20 10 CDCDRO C[C@@H](C(=O)NCc1cccc(O)c1O)[NH+]1[C@H](C)CC[C@H]1C ZINC001348048639 965800864 /nfs/dbraw/zinc/80/08/64/965800864.db2.gz VYKVYZPATFJBQY-UTUOFQBUSA-N 1 0 292.379 1.975 20 10 CDCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(O)c2O)C1 ZINC001548791516 967874874 /nfs/dbraw/zinc/87/48/74/967874874.db2.gz IMRVJWBUXLXIGU-SNVBAGLBSA-N 1 0 264.325 1.056 20 10 CDCDRO C[C@]1(C(=O)NCc2c(O)cccc2F)CCC[NH2+]C1 ZINC001354864000 968937026 /nfs/dbraw/zinc/93/70/26/968937026.db2.gz BJWNELHPPKUWPA-AWEZNQCLSA-N 1 0 266.316 1.537 20 10 CDCDRO C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@H](C)[NH3+] ZINC001576104857 1171332907 /nfs/dbraw/zinc/33/29/07/1171332907.db2.gz KESDUYQDNAECDH-JGVFFNPUSA-N 1 0 271.748 1.581 20 10 CDCDRO COC(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000161798051 342483822 /nfs/dbraw/zinc/48/38/22/342483822.db2.gz AVVONWIISLIROT-AWEZNQCLSA-N 1 0 295.379 1.992 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)CCC(N)=O)cc1 ZINC000274101238 365558627 /nfs/dbraw/zinc/55/86/27/365558627.db2.gz SRUVZFPPMGADBK-UHFFFAOYSA-N 1 0 263.385 1.840 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CC2([S@@](C)=O)CC2)cc1F ZINC000282220017 282290365 /nfs/dbraw/zinc/29/03/65/282290365.db2.gz DWEPSKKPZPMXBF-LJQANCHMSA-N 1 0 284.400 1.892 20 10 CDCDRO COc1cc(O)c(CN2CCNC(=O)C2(C)C)cc1OC ZINC000180050904 357239659 /nfs/dbraw/zinc/23/96/59/357239659.db2.gz DCVHTRFLELDFTQ-UHFFFAOYSA-N 1 0 294.351 1.120 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000179665490 357218590 /nfs/dbraw/zinc/21/85/90/357218590.db2.gz HOQBLGXYFYIRCA-LLVKDONJSA-N 1 0 267.325 1.366 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000180014641 357237045 /nfs/dbraw/zinc/23/70/45/357237045.db2.gz YRUWJAWYDKGWHS-LBPRGKRZSA-N 1 0 293.363 1.986 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180218864 357252673 /nfs/dbraw/zinc/25/26/73/357252673.db2.gz SSLRJVRAXBCVRL-CYBMUJFWSA-N 1 0 262.353 1.659 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000188803090 357938948 /nfs/dbraw/zinc/93/89/48/357938948.db2.gz KBZISXDMIGMWOM-PWSUYJOCSA-N 1 0 251.326 1.651 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)CCC[NH3+])cc1 ZINC000083460760 358207118 /nfs/dbraw/zinc/20/71/18/358207118.db2.gz ULGQVGAMYSFMLU-UHFFFAOYSA-N 1 0 263.385 1.888 20 10 CDCDRO OCCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000192904412 358248617 /nfs/dbraw/zinc/24/86/17/358248617.db2.gz QDYYQILKAOKNQO-UHFFFAOYSA-N 1 0 253.298 1.373 20 10 CDCDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020087474 358324262 /nfs/dbraw/zinc/32/42/62/358324262.db2.gz NMGFTHJAAKENHW-CYBMUJFWSA-N 1 0 264.369 1.648 20 10 CDCDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000280904228 363675890 /nfs/dbraw/zinc/67/58/90/363675890.db2.gz GATPOUTUPDJBBM-GFCCVEGCSA-N 1 0 296.436 1.980 20 10 CDCDRO COc1cccc(C[N@@H+]2CCOC[C@H](C)C2)c1O ZINC000370051017 360685928 /nfs/dbraw/zinc/68/59/28/360685928.db2.gz BDEJJYYALXPOTO-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268875614 364108257 /nfs/dbraw/zinc/10/82/57/364108257.db2.gz WNRURIFTJHBXAQ-NEPJUHHUSA-N 1 0 282.359 1.694 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCN2C)c(O)c1C ZINC000273612175 365514171 /nfs/dbraw/zinc/51/41/71/365514171.db2.gz WLIINLVSXIQXIO-LSDHHAIUSA-N 1 0 291.439 1.905 20 10 CDCDRO COC[C@H](O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273366865 365489768 /nfs/dbraw/zinc/48/97/68/365489768.db2.gz BRVJGBOZMIMSSV-BXUZGUMPSA-N 1 0 279.380 1.929 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)CC[NH2+]C ZINC000285717970 368654275 /nfs/dbraw/zinc/65/42/75/368654275.db2.gz TWUVLZGVQBHDMU-UHFFFAOYSA-N 1 0 250.342 1.740 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c1O ZINC000288696825 369483426 /nfs/dbraw/zinc/48/34/26/369483426.db2.gz YGNQCEBILGYREG-CMPLNLGQSA-N 1 0 299.392 1.314 20 10 CDCDRO CN(Cc1ccccc1O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289325940 369544433 /nfs/dbraw/zinc/54/44/33/369544433.db2.gz HABVBELQOACRMW-AWEZNQCLSA-N 1 0 264.369 1.279 20 10 CDCDRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1O ZINC000272930052 371135966 /nfs/dbraw/zinc/13/59/66/371135966.db2.gz ZJUJCYZZLKMJMG-RYUDHWBXSA-N 1 0 298.408 1.467 20 10 CDCDRO C[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+](C2CC2)C1 ZINC000295479722 371300060 /nfs/dbraw/zinc/30/00/60/371300060.db2.gz ZAAFYIMDERIYCV-LLVKDONJSA-N 1 0 290.363 1.654 20 10 CDCDRO COc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC000294056265 378621056 /nfs/dbraw/zinc/62/10/56/378621056.db2.gz PSXQZMSDTUUZKM-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)CN2CCOCC2)c1O ZINC000036933124 260053245 /nfs/dbraw/zinc/05/32/45/260053245.db2.gz JZVFURCUXMTLIN-CYBMUJFWSA-N 1 0 294.395 1.601 20 10 CDCDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccco1 ZINC000174527843 391123935 /nfs/dbraw/zinc/12/39/35/391123935.db2.gz GABWTAWNXWNSIW-HNNXBMFYSA-N 1 0 291.303 1.711 20 10 CDCDRO Cc1cccc(C[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000182196951 391231532 /nfs/dbraw/zinc/23/15/32/391231532.db2.gz ZHCQOBMVOZZFIB-UHFFFAOYSA-N 1 0 278.396 1.901 20 10 CDCDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183838814 391271435 /nfs/dbraw/zinc/27/14/35/391271435.db2.gz AYPQVOFHKQXSEL-JTQLQIEISA-N 1 0 250.342 1.815 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCOCC2)c1 ZINC000020141746 171028431 /nfs/dbraw/zinc/02/84/31/171028431.db2.gz NHHWEIJPOUDSOR-CYBMUJFWSA-N 1 0 294.395 1.774 20 10 CDCDRO CC(=O)N1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC000035011605 171929057 /nfs/dbraw/zinc/92/90/57/171929057.db2.gz VIUGRCKWPVTVDJ-UHFFFAOYSA-N 1 0 264.325 1.198 20 10 CDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038083264 174092741 /nfs/dbraw/zinc/09/27/41/174092741.db2.gz RCJRJCPSWZXEIY-NEPJUHHUSA-N 1 0 283.393 1.786 20 10 CDCDRO C[C@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000157311615 261144499 /nfs/dbraw/zinc/14/44/99/261144499.db2.gz OTJPBFAIXCMAKA-AAEUAGOBSA-N 1 0 278.352 1.247 20 10 CDCDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000158700389 261169559 /nfs/dbraw/zinc/16/95/59/261169559.db2.gz CCNXDUAPGGNXHN-UHFFFAOYSA-N 1 0 275.327 1.922 20 10 CDCDRO COC(=O)N1CC([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000186137829 262080890 /nfs/dbraw/zinc/08/08/90/262080890.db2.gz FSLVPMFMLRJFOT-QMMMGPOBSA-N 1 0 268.288 1.633 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(F)ccc1O ZINC000180253708 264394863 /nfs/dbraw/zinc/39/48/63/264394863.db2.gz AAVOPJDYFCCKFR-SECBINFHSA-N 1 0 254.305 1.345 20 10 CDCDRO CC(C)N1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000296840452 275649281 /nfs/dbraw/zinc/64/92/81/275649281.db2.gz MYAKHTLQNMFXHD-QWHCGFSZSA-N 1 0 274.364 1.978 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295874852 279319971 /nfs/dbraw/zinc/31/99/71/279319971.db2.gz HFVONIMKGIZYBP-OCCSQVGLSA-N 1 0 276.380 1.690 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c(O)c1 ZINC000185002851 329264484 /nfs/dbraw/zinc/26/44/84/329264484.db2.gz YNTHFRBKMPVTPF-LBPRGKRZSA-N 1 0 292.379 1.633 20 10 CDCDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(O)c1O ZINC000126320264 329591522 /nfs/dbraw/zinc/59/15/22/329591522.db2.gz WZMTVNUKLQGCET-VIFPVBQESA-N 1 0 252.314 1.168 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCOCCO)c1O ZINC000228669338 522541222 /nfs/dbraw/zinc/54/12/22/522541222.db2.gz YSAQEIJMAUZZLZ-UHFFFAOYSA-N 1 0 275.732 1.153 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cc1 ZINC001157535579 1162160244 /nfs/dbraw/zinc/16/02/44/1162160244.db2.gz CFAPFYUQAYEOQM-AMVTZNPPSA-N 1 0 277.343 1.273 20 10 CDCDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc(N)cc1 ZINC000037001268 519334955 /nfs/dbraw/zinc/33/49/55/519334955.db2.gz DPSVMACQUIMVFT-OAHLLOKOSA-N 1 0 277.412 1.904 20 10 CDCDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000236766076 519854432 /nfs/dbraw/zinc/85/44/32/519854432.db2.gz DVLVAIFMQGHLPS-HNNXBMFYSA-N 1 0 275.396 1.802 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)C[S@](C)=O)c1 ZINC000130975630 521142908 /nfs/dbraw/zinc/14/29/08/521142908.db2.gz XYPBBLQPCOHUKJ-NSPYISDASA-N 1 0 285.409 1.990 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H](C)CN(C)C)cc1OC ZINC000289858438 522780868 /nfs/dbraw/zinc/78/08/68/522780868.db2.gz QMHSGRGCXIDAOB-JTQLQIEISA-N 1 0 268.357 1.449 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)(C)O ZINC000293202041 522871552 /nfs/dbraw/zinc/87/15/52/522871552.db2.gz XSGOCLRZNDSQDD-CYBMUJFWSA-N 1 0 267.325 1.760 20 10 CDCDRO CON(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000291353336 523286638 /nfs/dbraw/zinc/28/66/38/523286638.db2.gz XMFHTJAICDNOSZ-UHFFFAOYSA-N 1 0 296.342 1.763 20 10 CDCDRO COCCN1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000264932766 523875583 /nfs/dbraw/zinc/87/55/83/523875583.db2.gz BMIRKQGTACWBBG-NSHDSACASA-N 1 0 284.787 1.856 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000228099329 524090079 /nfs/dbraw/zinc/09/00/79/524090079.db2.gz XDSFCNILVPPMJI-HNNXBMFYSA-N 1 0 278.352 1.359 20 10 CDCDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000290269634 524782791 /nfs/dbraw/zinc/78/27/91/524782791.db2.gz XTCZDIKQZQYQER-QWRGUYRKSA-N 1 0 279.336 1.714 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1C ZINC000291814161 525317524 /nfs/dbraw/zinc/31/75/24/525317524.db2.gz DEENUKYJBCXQHY-ZDUSSCGKSA-N 1 0 297.420 1.876 20 10 CDCDRO Cc1ccc(C(=O)NCC[N@H+]2CC=CCC2)c(O)c1O ZINC000280301861 526165033 /nfs/dbraw/zinc/16/50/33/526165033.db2.gz SBUWGOSYALZXNF-UHFFFAOYSA-N 1 0 276.336 1.398 20 10 CDCDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000726243575 574494823 /nfs/dbraw/zinc/49/48/23/574494823.db2.gz ASDSPYYMRJRSRW-GFCCVEGCSA-N 1 0 279.384 1.922 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H](CO)CC(F)F)cc1OC ZINC000763521118 575033051 /nfs/dbraw/zinc/03/30/51/575033051.db2.gz NPCXGSPILIBTKT-VIFPVBQESA-N 1 0 291.294 1.515 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000732279458 575086167 /nfs/dbraw/zinc/08/61/67/575086167.db2.gz MGOXHXRBUJQUJR-VIFPVBQESA-N 1 0 256.371 1.914 20 10 CDCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733326543 575114986 /nfs/dbraw/zinc/11/49/86/575114986.db2.gz JTRQKOLQUCWGJX-AWEZNQCLSA-N 1 0 270.348 1.379 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000769540281 575357974 /nfs/dbraw/zinc/35/79/74/575357974.db2.gz LBGCCIQQNDHGMM-RYUDHWBXSA-N 1 0 292.379 1.890 20 10 CDCDRO CCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)NC)c(O)c1 ZINC000769570283 575360743 /nfs/dbraw/zinc/36/07/43/575360743.db2.gz YYTXRNWAVONANB-LLVKDONJSA-N 1 0 280.368 1.605 20 10 CDCDRO CCOCC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000769785333 575384038 /nfs/dbraw/zinc/38/40/38/575384038.db2.gz AIJPVHBMQKCKLZ-NWDGAFQWSA-N 1 0 283.368 1.839 20 10 CDCDRO Cn1ccc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000771868672 575630091 /nfs/dbraw/zinc/63/00/91/575630091.db2.gz NTJAMIAXIQRWBV-UHFFFAOYSA-N 1 0 299.422 1.462 20 10 CDCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000774383622 575944476 /nfs/dbraw/zinc/94/44/76/575944476.db2.gz ZDFMMZAALNBQAL-JTQLQIEISA-N 1 0 288.338 1.899 20 10 CDCDRO OCCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000768240763 576266504 /nfs/dbraw/zinc/26/65/04/576266504.db2.gz FFTKDLHCIYYKGW-UHFFFAOYSA-N 1 0 279.336 1.715 20 10 CDCDRO COC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768442026 576283390 /nfs/dbraw/zinc/28/33/90/576283390.db2.gz NRGZRUMROQBEEP-CQSZACIVSA-N 1 0 279.336 1.429 20 10 CDCDRO CN(Cc1cn(C)nn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761224340 576561040 /nfs/dbraw/zinc/56/10/40/576561040.db2.gz WZXFYPKDXLGDQQ-UHFFFAOYSA-N 1 0 289.383 1.392 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCC[C@H](C)CO ZINC000758579291 577119628 /nfs/dbraw/zinc/11/96/28/577119628.db2.gz KEFXMPXQMPFBTD-NSHDSACASA-N 1 0 253.342 1.899 20 10 CDCDRO COc1ccc(C[NH2+]CCCn2cccn2)c(O)c1OC ZINC000892525449 617476364 /nfs/dbraw/zinc/47/63/64/617476364.db2.gz ZDCRJSMHSLJXAX-UHFFFAOYSA-N 1 0 291.351 1.786 20 10 CDCDRO O=C(NC[C@@H]1CCCC[NH2+]1)N1Cc2cccc(O)c2C1 ZINC000891970377 617906970 /nfs/dbraw/zinc/90/69/70/617906970.db2.gz FYLMHDAKMUUGSN-LBPRGKRZSA-N 1 0 275.352 1.560 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC2(C)COC2)c1O ZINC000894255889 618287924 /nfs/dbraw/zinc/28/79/24/618287924.db2.gz LCRPNCSAIHRKJA-UHFFFAOYSA-N 1 0 251.326 1.835 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000894152154 618631436 /nfs/dbraw/zinc/63/14/36/618631436.db2.gz HCKSMELAPVVXHI-UHFFFAOYSA-N 1 0 292.379 1.810 20 10 CDCDRO Cc1n[nH]cc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041571 618677442 /nfs/dbraw/zinc/67/74/42/618677442.db2.gz DSSGCSGQTWYXDK-HNNXBMFYSA-N 1 0 273.384 1.574 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@]2(O)CCSC2)c1O ZINC000894326657 618776136 /nfs/dbraw/zinc/77/61/36/618776136.db2.gz QMDWFMFMWSWGBG-CQSZACIVSA-N 1 0 283.393 1.667 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC[C@H](C)[S@@](C)=O)c1O ZINC000894409693 618868330 /nfs/dbraw/zinc/86/83/30/618868330.db2.gz DSLQQCPTXQSQPR-JEOXALJRSA-N 1 0 285.409 1.956 20 10 CDCDRO COC[C@H](C[NH2+]Cc1cc(C)cc(OC)c1O)OC ZINC000894435018 618885781 /nfs/dbraw/zinc/88/57/81/618885781.db2.gz ZOLQJTLTUIOUCT-LBPRGKRZSA-N 1 0 269.341 1.460 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000894664150 619007702 /nfs/dbraw/zinc/00/77/02/619007702.db2.gz VURSFGPMYPNTAM-MFKMUULPSA-N 1 0 278.352 1.323 20 10 CDCDRO CCOCc1cc(C[NH2+]C[C@H]2COCO2)ccc1OC ZINC000894871365 619112199 /nfs/dbraw/zinc/11/21/99/619112199.db2.gz BWGIIPRVHOTDBL-AWEZNQCLSA-N 1 0 281.352 1.694 20 10 CDCDRO COc1ccc(N2CCC([NH2+]C[C@@H]3COCO3)CC2)cc1 ZINC000894875289 619113523 /nfs/dbraw/zinc/11/35/23/619113523.db2.gz AIRYRFIEQVNWHD-MRXNPFEDSA-N 1 0 292.379 1.627 20 10 CDCDRO CCOc1ccc(C[NH+]2CC(COC)C2)c(O)c1 ZINC000895971384 619929159 /nfs/dbraw/zinc/92/91/59/619929159.db2.gz OZGHFNJDLUMVQU-UHFFFAOYSA-N 1 0 251.326 1.869 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896383798 620080525 /nfs/dbraw/zinc/08/05/25/620080525.db2.gz FGUFMYDZWGGMJO-LLVKDONJSA-N 1 0 279.336 1.596 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1c(C)cccc1O ZINC000896618229 620167794 /nfs/dbraw/zinc/16/77/94/620167794.db2.gz NVVAJZNMLIVARY-AWEZNQCLSA-N 1 0 278.396 1.901 20 10 CDCDRO CN(C)c1ccc([C@@H](CN=c2nc[nH]n2C)[NH+](C)C)cc1 ZINC000897522016 620899569 /nfs/dbraw/zinc/89/95/69/620899569.db2.gz KODVSYTVSLLCSM-CQSZACIVSA-N 1 0 288.399 1.018 20 10 CDCDRO COc1c(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000897679708 621066188 /nfs/dbraw/zinc/06/61/88/621066188.db2.gz KXKHNTXPXOHPPS-KWQFWETISA-N 1 0 282.296 1.122 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(F)ccc1O ZINC000903228924 625927322 /nfs/dbraw/zinc/92/73/22/625927322.db2.gz TXFKBSDZIUMVFE-GFCCVEGCSA-N 1 0 282.359 1.904 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910943515 629125181 /nfs/dbraw/zinc/12/51/81/629125181.db2.gz NGFJSLLVOGVOSB-LBPRGKRZSA-N 1 0 278.352 1.587 20 10 CDCDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000045072214 630571330 /nfs/dbraw/zinc/57/13/30/630571330.db2.gz HCWDGGRHCVORKD-NSHDSACASA-N 1 0 250.342 1.959 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000157873457 630618172 /nfs/dbraw/zinc/61/81/72/630618172.db2.gz RSMBINPYUQOOKY-UHFFFAOYSA-N 1 0 297.406 1.865 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC000915830833 631834410 /nfs/dbraw/zinc/83/44/10/631834410.db2.gz VCCWZZSWECSESU-GFCCVEGCSA-N 1 0 278.352 1.549 20 10 CDCDRO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000788049036 631846447 /nfs/dbraw/zinc/84/64/47/631846447.db2.gz XLWHRKVORKKRAM-NSHDSACASA-N 1 0 274.364 1.591 20 10 CDCDRO CCS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921667710 633140338 /nfs/dbraw/zinc/14/03/38/633140338.db2.gz UPEDKUBBSGXKBK-UHFFFAOYSA-N 1 0 283.393 1.536 20 10 CDCDRO NC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921825639 633323934 /nfs/dbraw/zinc/32/39/34/633323934.db2.gz GEWWDOHLKGKVNP-UHFFFAOYSA-N 1 0 297.358 1.795 20 10 CDCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC(=O)NC1CC1 ZINC000879648994 1166392078 /nfs/dbraw/zinc/39/20/78/1166392078.db2.gz IRFHFZVBQAMANY-NXEZZACHSA-N 1 0 291.351 1.420 20 10 CDCDRO CCOc1ccc(N(C)C[C@H]2CC3(C[NH2+]C3)C(=O)O2)cc1 ZINC001578182025 1171828259 /nfs/dbraw/zinc/82/82/59/1171828259.db2.gz XEOZCAIURUEWSF-CQSZACIVSA-N 1 0 290.363 1.427 20 10 CDCDRO COc1ccc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000019505155 1172114594 /nfs/dbraw/zinc/11/45/94/1172114594.db2.gz MTVIXVMVXRKZNV-OAHLLOKOSA-N 1 0 289.423 1.817 20 10 CDCDRO Cc1ccc(CN2CCO[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001579691836 1172241913 /nfs/dbraw/zinc/24/19/13/1172241913.db2.gz JGEQAHQZWSITSW-HNNXBMFYSA-N 1 0 262.353 1.265 20 10 CDCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H]1COCCN1 ZINC001580888749 1172565221 /nfs/dbraw/zinc/56/52/21/1172565221.db2.gz XWIHNIWIDBYOBY-NSHDSACASA-N 1 0 256.733 1.124 20 10 CDCDRO COCCCN1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000237202126 1178597948 /nfs/dbraw/zinc/59/79/48/1178597948.db2.gz NXTBYFPSRDDIAF-UHFFFAOYSA-N 1 0 278.396 1.983 20 10 CDCDRO C[N@@H+]1CCCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580006 1167050944 /nfs/dbraw/zinc/05/09/44/1167050944.db2.gz ODFSISNRUSLMIH-UHFFFAOYSA-N 1 0 256.296 1.808 20 10 CDCDRO CCCCN(Cc1ccccc1O)C(=O)NCC1C[NH2+]C1 ZINC000841965575 844054275 /nfs/dbraw/zinc/05/42/75/844054275.db2.gz YDIQDKQBHRDMDY-UHFFFAOYSA-N 1 0 291.395 1.923 20 10 CDCDRO COCCOC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819077265 844094407 /nfs/dbraw/zinc/09/44/07/844094407.db2.gz JXQJMLJIMJHJNX-MRXNPFEDSA-N 1 0 296.411 1.175 20 10 CDCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000788270859 844121666 /nfs/dbraw/zinc/12/16/66/844121666.db2.gz UPYKLCCRVYYTIV-CMPLNLGQSA-N 1 0 252.333 1.847 20 10 CDCDRO CCN1CCC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1=O ZINC000722358296 844137150 /nfs/dbraw/zinc/13/71/50/844137150.db2.gz BYNWXVAHXFLJKT-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H]2CCOC2)c1O ZINC000037738174 844261722 /nfs/dbraw/zinc/26/17/22/844261722.db2.gz RBPNNCJLYQYVKK-LLVKDONJSA-N 1 0 251.326 1.917 20 10 CDCDRO CCc1cccc(C[NH2+][C@H]2CCc3nc(C)nn3C2)c1O ZINC000848894248 844269029 /nfs/dbraw/zinc/26/90/29/844269029.db2.gz HDTHBKANWFLSIQ-AWEZNQCLSA-N 1 0 286.379 1.959 20 10 CDCDRO CC[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858169192 844347495 /nfs/dbraw/zinc/34/74/95/844347495.db2.gz YLCKXKAIALGACN-JTQLQIEISA-N 1 0 258.312 1.891 20 10 CDCDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCC1 ZINC000825440642 844374328 /nfs/dbraw/zinc/37/43/28/844374328.db2.gz AGEJUCSOXMGXFZ-SECBINFHSA-N 1 0 282.315 1.451 20 10 CDCDRO CC1(C)[NH2+]CC[C@@H]1NCc1cc2c(cc1O)OCO2 ZINC000841085376 844445315 /nfs/dbraw/zinc/44/53/15/844445315.db2.gz AUGISJTYBGFJFM-ZDUSSCGKSA-N 1 0 264.325 1.351 20 10 CDCDRO Nc1ccc(CCNC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000841848148 844553335 /nfs/dbraw/zinc/55/33/35/844553335.db2.gz XOWNFYZDUYFUCI-KRWDZBQOSA-N 1 0 297.402 1.888 20 10 CDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000783524605 844585387 /nfs/dbraw/zinc/58/53/87/844585387.db2.gz HZXSMKDXOCBJSL-RTXFEEFZSA-N 1 0 262.353 1.958 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](O)CO)cc1 ZINC000929183854 844586939 /nfs/dbraw/zinc/58/69/39/844586939.db2.gz GKLCLGDPZFZPDG-OAHLLOKOSA-N 1 0 266.385 1.318 20 10 CDCDRO CCOc1cccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1O ZINC000250522452 844602334 /nfs/dbraw/zinc/60/23/34/844602334.db2.gz UIMLWAXVMLUOHF-VXGBXAGGSA-N 1 0 264.369 1.973 20 10 CDCDRO Cc1cc(O)c(C[N@H+]2CCN(C)C[C@@H]2CO)cc1C ZINC000877645063 844623705 /nfs/dbraw/zinc/62/37/05/844623705.db2.gz ZOCIKGNBHVCDOV-CQSZACIVSA-N 1 0 264.369 1.117 20 10 CDCDRO Cc1cc(O)c(CNC[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000825131378 842993789 /nfs/dbraw/zinc/99/37/89/842993789.db2.gz NBUAQEJPWCBZEH-ZDUSSCGKSA-N 1 0 298.814 1.900 20 10 CDCDRO CCc1cccc(C[N@H+](CCO)CCOC)c1O ZINC000848886896 843384321 /nfs/dbraw/zinc/38/43/21/843384321.db2.gz XLKIDHOGLLKZEU-UHFFFAOYSA-N 1 0 253.342 1.395 20 10 CDCDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841023057 843637350 /nfs/dbraw/zinc/63/73/50/843637350.db2.gz OQYMJSXHLRDWTM-NSHDSACASA-N 1 0 292.383 1.054 20 10 CDCDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccccc1O ZINC000927083099 843639921 /nfs/dbraw/zinc/63/99/21/843639921.db2.gz DRYVCYSETSYAMK-NWDGAFQWSA-N 1 0 251.326 1.848 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000787424190 843674156 /nfs/dbraw/zinc/67/41/56/843674156.db2.gz POVVDFWCYQWMTK-FIXISWKDSA-N 1 0 290.363 1.487 20 10 CDCDRO COc1ccc(N2CCC(NC(=O)C(C)(C)[NH3+])CC2)cc1 ZINC000237279223 843801474 /nfs/dbraw/zinc/80/14/74/843801474.db2.gz BUANFIGGWXUHAV-UHFFFAOYSA-N 1 0 291.395 1.518 20 10 CDCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000876713460 843821142 /nfs/dbraw/zinc/82/11/42/843821142.db2.gz QDEOJRYPYIHMDT-HOCLYGCPSA-N 1 0 291.395 1.136 20 10 CDCDRO CCN(CC)c1ccc(CN(C)C[C@H](O)C[NH3+])cc1F ZINC000841091860 843855662 /nfs/dbraw/zinc/85/56/62/843855662.db2.gz HULVOGRJUNDWOZ-CYBMUJFWSA-N 1 0 283.391 1.423 20 10 CDCDRO CCN(CC[NH3+])Cc1cc(Cl)cc(OC)c1O ZINC000305933002 843865871 /nfs/dbraw/zinc/86/58/71/843865871.db2.gz DPPMJLCXAYOBPV-UHFFFAOYSA-N 1 0 258.749 1.835 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167677 843870776 /nfs/dbraw/zinc/87/07/76/843870776.db2.gz ASBVLCNNHZDVKS-ZJUUUORDSA-N 1 0 266.341 1.576 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000841882652 844694117 /nfs/dbraw/zinc/69/41/17/844694117.db2.gz MCTZQJQNFOBNHF-DGCLKSJQSA-N 1 0 276.384 1.475 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922281719 844738397 /nfs/dbraw/zinc/73/83/97/844738397.db2.gz MEURWMPNNHUJGH-UHFFFAOYSA-N 1 0 272.352 1.913 20 10 CDCDRO Cc1ccc(O)c(C[N@H+](C)CCN2CCCC2=O)c1 ZINC000093320421 844782502 /nfs/dbraw/zinc/78/25/02/844782502.db2.gz CSELDFZAHMKPJW-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000069140888 844868039 /nfs/dbraw/zinc/86/80/39/844868039.db2.gz JHFXXYDQZDFIBY-NSHDSACASA-N 1 0 285.365 1.068 20 10 CDCDRO CCCCN(Cc1ccccc1O)C(=O)NCC[NH2+]C ZINC000841935714 844868351 /nfs/dbraw/zinc/86/83/51/844868351.db2.gz GWNDHKITBCMFEB-UHFFFAOYSA-N 1 0 279.384 1.923 20 10 CDCDRO COc1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000830610038 844898353 /nfs/dbraw/zinc/89/83/53/844898353.db2.gz TYWCFOAAVCJSGO-IYBDPMFKSA-N 1 0 290.407 1.956 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)CCOCCO)cc1F ZINC000800545331 844946005 /nfs/dbraw/zinc/94/60/05/844946005.db2.gz NLJMFHWUTKUIHX-UHFFFAOYSA-N 1 0 270.348 1.332 20 10 CDCDRO COc1ccc(N(C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000388372104 845014198 /nfs/dbraw/zinc/01/41/98/845014198.db2.gz PRWIVVQWIXPVLB-AWEZNQCLSA-N 1 0 264.369 1.587 20 10 CDCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000132621661 845056258 /nfs/dbraw/zinc/05/62/58/845056258.db2.gz SQSAXGSSPIDUBF-RNCFNFMXSA-N 1 0 270.760 1.594 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)[C@@H](C)O1 ZINC000817943300 845280487 /nfs/dbraw/zinc/28/04/87/845280487.db2.gz UCWRQSWAMTWZDC-MPTQWLOMSA-N 1 0 277.412 1.908 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1 ZINC000793710336 845332107 /nfs/dbraw/zinc/33/21/07/845332107.db2.gz RWBJNEWVGXJEMI-ZDUSSCGKSA-N 1 0 297.420 1.876 20 10 CDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1 ZINC000704337364 845332268 /nfs/dbraw/zinc/33/22/68/845332268.db2.gz CVDZZQIPCYWGAU-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000841085408 845448649 /nfs/dbraw/zinc/44/86/49/845448649.db2.gz BHZJWGDGXOHNDR-HNNXBMFYSA-N 1 0 263.385 1.221 20 10 CDCDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(N)cc1 ZINC000841301608 845539404 /nfs/dbraw/zinc/53/94/04/845539404.db2.gz AMAITMWUCUYVGJ-UHFFFAOYSA-N 1 0 280.372 1.359 20 10 CDCDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(C)cc1O ZINC000877114760 845622270 /nfs/dbraw/zinc/62/22/70/845622270.db2.gz AHFMIUAAPBGANI-UHFFFAOYSA-N 1 0 264.369 1.953 20 10 CDCDRO Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)c(O)c1O ZINC000182277303 845685419 /nfs/dbraw/zinc/68/54/19/845685419.db2.gz HYHPGKMJWKKTHF-UHFFFAOYSA-N 1 0 292.379 1.868 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711008359 845773396 /nfs/dbraw/zinc/77/33/96/845773396.db2.gz UCLVEPOFKMGVAZ-AULYBMBSSA-N 1 0 262.353 1.868 20 10 CDCDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(N)cc2)CC[N@H+]1C ZINC000841295566 845814082 /nfs/dbraw/zinc/81/40/82/845814082.db2.gz BLIOIMWMZDDLHD-MNOVXSKESA-N 1 0 262.357 1.825 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841894653 845916381 /nfs/dbraw/zinc/91/63/81/845916381.db2.gz SKKYHECNZURMOZ-NSHDSACASA-N 1 0 274.286 1.960 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000839192033 845973726 /nfs/dbraw/zinc/97/37/26/845973726.db2.gz GMDPKPHFIPNCCJ-JKSUJKDBSA-N 1 0 292.379 1.027 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000877480481 846003848 /nfs/dbraw/zinc/00/38/48/846003848.db2.gz XAHAQZPEJXJOSL-UHFFFAOYSA-N 1 0 265.353 1.720 20 10 CDCDRO COc1ccc(N2CCCN(CC(C)(C)[NH3+])CC2)cc1 ZINC000843060746 846070557 /nfs/dbraw/zinc/07/05/57/846070557.db2.gz OBZRTBKQIBIVLN-UHFFFAOYSA-N 1 0 277.412 1.945 20 10 CDCDRO Cc1ccc(C[N@@H+](C)CC2(O)CCOCC2)c(O)c1 ZINC000877459332 846111771 /nfs/dbraw/zinc/11/17/71/846111771.db2.gz HXEWQYBWCQZHAI-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO COc1ccc(N2CCC([NH2+][C@@H]3COC[C@H]3O)CC2)cc1 ZINC000830648497 846144326 /nfs/dbraw/zinc/14/43/26/846144326.db2.gz KSOQNKLUUXKUAC-HZPDHXFCSA-N 1 0 292.379 1.013 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH2+]C ZINC000841936140 846168411 /nfs/dbraw/zinc/16/84/11/846168411.db2.gz KMYYGSLYELZDRB-UHFFFAOYSA-N 1 0 278.400 1.504 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)c(F)c3)C[C@@H]21 ZINC000814173140 846204694 /nfs/dbraw/zinc/20/46/94/846204694.db2.gz GWMPLJHEOTYHCS-JYAVWHMHSA-N 1 0 292.354 1.743 20 10 CDCDRO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000825279083 846249761 /nfs/dbraw/zinc/24/97/61/846249761.db2.gz NTSBPGVZTOMXJJ-ZDUSSCGKSA-N 1 0 295.358 1.767 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CCCS(C)(=O)=O)c1O ZINC000846143661 846253805 /nfs/dbraw/zinc/25/38/05/846253805.db2.gz FNSRHPAHNMKVAY-JTQLQIEISA-N 1 0 287.381 1.486 20 10 CDCDRO C[NH+](C)C1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000817770483 846360076 /nfs/dbraw/zinc/36/00/76/846360076.db2.gz UJLUHZZKJFIOGY-UHFFFAOYSA-N 1 0 296.342 1.840 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc(N(C)C)cc1 ZINC000089752068 846468854 /nfs/dbraw/zinc/46/88/54/846468854.db2.gz RDTRPYAQZIMGHC-ZWNOBZJWSA-N 1 0 275.352 1.208 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c1 ZINC000228930280 846544242 /nfs/dbraw/zinc/54/42/42/846544242.db2.gz OFNGBIHDBFKCBL-WDEREUQCSA-N 1 0 280.368 1.965 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000877472183 846547977 /nfs/dbraw/zinc/54/79/77/846547977.db2.gz MEFBDOHVRTWSGF-ZDUSSCGKSA-N 1 0 274.364 1.897 20 10 CDCDRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000839195367 846681511 /nfs/dbraw/zinc/68/15/11/846681511.db2.gz HTDYDJBOZQKJLF-VIFPVBQESA-N 1 0 268.744 1.661 20 10 CDCDRO COc1ccc(C[NH2+]C2CCS(=O)CC2)c(O)c1 ZINC000157957857 846727289 /nfs/dbraw/zinc/72/72/89/846727289.db2.gz XIHPVSUMFUNHBY-UHFFFAOYSA-N 1 0 269.366 1.402 20 10 CDCDRO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)c(O)c1 ZINC000846053428 846854923 /nfs/dbraw/zinc/85/49/23/846854923.db2.gz SQHXNLRFHOBDEU-CHWSQXEVSA-N 1 0 281.352 1.373 20 10 CDCDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CC[NH2+]1 ZINC000384744956 846920154 /nfs/dbraw/zinc/92/01/54/846920154.db2.gz IOQIZYUBPANLRE-MRXNPFEDSA-N 1 0 287.407 1.997 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CCN(C)CC(F)F)c1 ZINC000862551179 846946326 /nfs/dbraw/zinc/94/63/26/846946326.db2.gz SJHRKFKEBRCNGD-UHFFFAOYSA-N 1 0 274.311 1.687 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825336873 846954875 /nfs/dbraw/zinc/95/48/75/846954875.db2.gz AGRLCJCNGGRILX-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO C[NH2+]CCNC(=O)NCCCSc1nccs1 ZINC000841858286 846968074 /nfs/dbraw/zinc/96/80/74/846968074.db2.gz WCVGXHZZBYHXAS-UHFFFAOYSA-N 1 0 274.415 1.144 20 10 CDCDRO Cc1nc[nH]c1CNC(=O)C=Cc1ccc(O)c(O)c1 ZINC000779532933 847010782 /nfs/dbraw/zinc/01/07/82/847010782.db2.gz XQKFISTYDJUSOR-HYXAFXHYSA-N 1 0 273.292 1.459 20 10 CDCDRO CC[NH2+]CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000844177346 847165206 /nfs/dbraw/zinc/16/52/06/847165206.db2.gz JTRBYDQLMHFJJW-UHFFFAOYSA-N 1 0 261.369 1.295 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CNCCO1 ZINC000841098509 847174005 /nfs/dbraw/zinc/17/40/05/847174005.db2.gz HFSCLSJKCBOTLS-VIFPVBQESA-N 1 0 256.733 1.124 20 10 CDCDRO CC(C)[C@@H]([NH3+])CNCc1ccc(N2CCOCC2)cc1 ZINC000841029926 847175733 /nfs/dbraw/zinc/17/57/33/847175733.db2.gz OYEUJFUADWZJBY-INIZCTEOSA-N 1 0 277.412 1.596 20 10 CDCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000862539306 847223258 /nfs/dbraw/zinc/22/32/58/847223258.db2.gz MEAAMUJOPNIXHO-JTQLQIEISA-N 1 0 252.314 1.199 20 10 CDCDRO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000840959496 847246281 /nfs/dbraw/zinc/24/62/81/847246281.db2.gz WSACEUQDZDWIFU-CQSZACIVSA-N 1 0 292.379 1.237 20 10 CDCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000877648354 847253426 /nfs/dbraw/zinc/25/34/26/847253426.db2.gz FCBJTRAMMMGHHC-CYBMUJFWSA-N 1 0 262.353 1.753 20 10 CDCDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c(O)c1 ZINC000877100209 847303284 /nfs/dbraw/zinc/30/32/84/847303284.db2.gz QSVPCJHKSQZWOC-DOMZBBRYSA-N 1 0 264.369 1.509 20 10 CDCDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1O ZINC000179875868 847512771 /nfs/dbraw/zinc/51/27/71/847512771.db2.gz DWSVAUYXRAHHSQ-SNVBAGLBSA-N 1 0 276.296 1.848 20 10 CDCDRO Cc1cc(C[N@H+](C)[C@]2(CO)CCOC2)ccc1N(C)C ZINC000815086497 847515120 /nfs/dbraw/zinc/51/51/20/847515120.db2.gz KVBVGTDIEGGLCO-INIZCTEOSA-N 1 0 278.396 1.644 20 10 CDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OC)cc1O ZINC000832178103 847540485 /nfs/dbraw/zinc/54/04/85/847540485.db2.gz NNVWCFWENQHBDM-QWHCGFSZSA-N 1 0 278.352 1.405 20 10 CDCDRO NC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000841088552 847783205 /nfs/dbraw/zinc/78/32/05/847783205.db2.gz ZFTIOAPDVNVDGG-LBPRGKRZSA-N 1 0 278.352 1.728 20 10 CDCDRO COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000133709805 847820970 /nfs/dbraw/zinc/82/09/70/847820970.db2.gz SWHKACLGBRNIDO-STQMWFEESA-N 1 0 291.395 1.327 20 10 CDCDRO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccccc1O ZINC000036828483 847986785 /nfs/dbraw/zinc/98/67/85/847986785.db2.gz YSQCSJKZZZQDBC-LLVKDONJSA-N 1 0 298.408 1.467 20 10 CDCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877524042 847994504 /nfs/dbraw/zinc/99/45/04/847994504.db2.gz QUJRRLYGEPYJMF-AWEZNQCLSA-N 1 0 291.439 1.687 20 10 CDCDRO COc1cccc(C[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000704348257 848012305 /nfs/dbraw/zinc/01/23/05/848012305.db2.gz BGTCATXRKNFKPU-NSHDSACASA-N 1 0 264.325 1.111 20 10 CDCDRO CC[N@@H+]1CC[C@H](N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001173368164 912502451 /nfs/dbraw/zinc/50/24/51/912502451.db2.gz NMIVFCFSHJLOIU-AWEZNQCLSA-N 1 0 276.380 1.940 20 10 CDCDRO [NH3+][C@@H]1CCCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205117756 913807987 /nfs/dbraw/zinc/80/79/87/913807987.db2.gz UIURPDMOGFQTGD-SNVBAGLBSA-N 1 0 252.314 1.117 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccnn1 ZINC001139972087 894316325 /nfs/dbraw/zinc/31/63/25/894316325.db2.gz ZHEXQEORWPQIRQ-UHFFFAOYSA-N 1 0 298.390 1.945 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)c1O ZINC001172164467 911410233 /nfs/dbraw/zinc/41/02/33/911410233.db2.gz ZUHNQZDEPRIAFM-ZIAGYGMSSA-N 1 0 274.364 1.944 20 10 CDCDRO CC[N@H+](Cc1ccc(=O)[nH]n1)Cc1ccccc1O ZINC001232026324 911940538 /nfs/dbraw/zinc/94/05/38/911940538.db2.gz NEOPKUCKNBWMEB-UHFFFAOYSA-N 1 0 259.309 1.910 20 10 CDCDRO Oc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(O)c1 ZINC001204274973 916443098 /nfs/dbraw/zinc/44/30/98/916443098.db2.gz KBTFPWNPEYLOGT-ZDUSSCGKSA-N 1 0 262.353 1.768 20 10 CDCDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc21 ZINC001138353700 936525072 /nfs/dbraw/zinc/52/50/72/936525072.db2.gz HGDINHFKAHQNFO-OAHLLOKOSA-N 1 0 287.407 1.766 20 10 CDCDRO C[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CCCN2C ZINC001138358422 936525814 /nfs/dbraw/zinc/52/58/14/936525814.db2.gz QYVPSXUZCUHARB-GFCCVEGCSA-N 1 0 273.380 1.389 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1O ZINC001203614323 919530715 /nfs/dbraw/zinc/53/07/15/919530715.db2.gz XDVSQXYQCPEUEK-WCQYABFASA-N 1 0 290.363 1.359 20 10 CDCDRO COc1cc(CN2CC3(CCO3)C2)cc(C[NH+](C)C)c1O ZINC001139257971 936611927 /nfs/dbraw/zinc/61/19/27/936611927.db2.gz JCVJORFZSRNNKC-UHFFFAOYSA-N 1 0 292.379 1.437 20 10 CDCDRO CN1CC2(CC1=O)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140060210 936675480 /nfs/dbraw/zinc/67/54/80/936675480.db2.gz PIWZQYJEMKYKFR-UHFFFAOYSA-N 1 0 292.354 1.976 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1 ZINC001140619567 936731728 /nfs/dbraw/zinc/73/17/28/936731728.db2.gz HVQNPHHBXGVBMO-LSDHHAIUSA-N 1 0 265.353 1.266 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC001140749217 936749592 /nfs/dbraw/zinc/74/95/92/936749592.db2.gz RSVGDWLPWBOYCG-HNNXBMFYSA-N 1 0 292.335 1.481 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c1O ZINC001140747609 936749861 /nfs/dbraw/zinc/74/98/61/936749861.db2.gz FAMKGELKECOAES-JOYOIKCWSA-N 1 0 251.326 1.751 20 10 CDCDRO Cc1c(O)ccc(C[NH+]2CCC(n3cnnc3)CC2)c1O ZINC001140749363 936749883 /nfs/dbraw/zinc/74/98/83/936749883.db2.gz WYKYQDRIBRCNFH-UHFFFAOYSA-N 1 0 288.351 1.835 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1O ZINC001140750055 936750159 /nfs/dbraw/zinc/75/01/59/936750159.db2.gz UHLZHMFFIVOPRN-ZDUSSCGKSA-N 1 0 290.363 1.603 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1 ZINC001140948138 936782578 /nfs/dbraw/zinc/78/25/78/936782578.db2.gz VHUJWHPOYDFOLQ-CHWSQXEVSA-N 1 0 253.317 1.995 20 10 CDCDRO COC(=O)C1(O)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140954241 936783897 /nfs/dbraw/zinc/78/38/97/936783897.db2.gz NUNDELJFMNBDBB-UHFFFAOYSA-N 1 0 279.336 1.201 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)CC2COC2)c(OC)c1 ZINC001141029423 936795056 /nfs/dbraw/zinc/79/50/56/936795056.db2.gz RAIVQOMZJLHGQL-UHFFFAOYSA-N 1 0 267.325 1.488 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)C2)c(OC)c1 ZINC001141031976 936795624 /nfs/dbraw/zinc/79/56/24/936795624.db2.gz PAGNBGVYMVYHIJ-OAHLLOKOSA-N 1 0 281.352 1.614 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@]34CCOC4)ccc21 ZINC001141146150 936820066 /nfs/dbraw/zinc/82/00/66/936820066.db2.gz MPLKHWBIUQIYLX-INIZCTEOSA-N 1 0 274.364 1.880 20 10 CDCDRO Oc1ccc(O)c(CN2CCO[C@]3(CCOC3)C2)c1 ZINC001141156096 936821278 /nfs/dbraw/zinc/82/12/78/936821278.db2.gz FEOGXWATYSEROQ-CQSZACIVSA-N 1 0 265.309 1.089 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141156887 936821464 /nfs/dbraw/zinc/82/14/64/936821464.db2.gz WKAOYVOMLKTFOZ-CQSZACIVSA-N 1 0 251.326 1.835 20 10 CDCDRO C[N@H+](C1CN(Cc2cc(O)ccc2O)C1)[C@@H]1CCOC1 ZINC001141160259 936822134 /nfs/dbraw/zinc/82/21/34/936822134.db2.gz UZRKPWVXZWVYNR-GFCCVEGCSA-N 1 0 278.352 1.003 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(O)ccc2O)C[C@H]1C ZINC001141163121 936823758 /nfs/dbraw/zinc/82/37/58/936823758.db2.gz PWFHGTUTGPZNPM-LLVKDONJSA-N 1 0 250.342 1.624 20 10 CDCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203880254 925168879 /nfs/dbraw/zinc/16/88/79/925168879.db2.gz NCDPNYUKXASIFZ-AVGNSLFASA-N 1 0 291.347 1.871 20 10 CDCDRO CCOC[C@@H](O)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001252033845 926100301 /nfs/dbraw/zinc/10/03/01/926100301.db2.gz JGZIBMQPSWIDTM-INIZCTEOSA-N 1 0 280.412 1.972 20 10 CDCDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001150120362 937218942 /nfs/dbraw/zinc/21/89/42/937218942.db2.gz WPWMTYBKTGPPST-ZWNOBZJWSA-N 1 0 290.363 1.239 20 10 CDCDRO CCc1cccc(C[NH2+]CCCN2CCOCC2)c1O ZINC000691464825 928955211 /nfs/dbraw/zinc/95/52/11/928955211.db2.gz KMJUWZDFLWBZBZ-UHFFFAOYSA-N 1 0 278.396 1.767 20 10 CDCDRO Oc1ccc([C@@H](O)C[NH2+][C@H]2CCCOCC2)cc1O ZINC001170767197 929852760 /nfs/dbraw/zinc/85/27/60/929852760.db2.gz QDPDGSZERIZJGS-FZMZJTMJSA-N 1 0 267.325 1.290 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000883300084 930179961 /nfs/dbraw/zinc/17/99/61/930179961.db2.gz NOAFWPISYCFEMI-LLVKDONJSA-N 1 0 299.392 1.458 20 10 CDCDRO C[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691397093 931466076 /nfs/dbraw/zinc/46/60/76/931466076.db2.gz WPFUUJKVIBTMND-ZETCQYMHSA-N 1 0 260.131 1.625 20 10 CDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1O ZINC001144499806 931858633 /nfs/dbraw/zinc/85/86/33/931858633.db2.gz JQZZBRONCFICAY-GZMMTYOYSA-N 1 0 253.298 1.006 20 10 CDCDRO OC[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500576 931859692 /nfs/dbraw/zinc/85/96/92/931859692.db2.gz VJVYBEPMEFJPFK-SECBINFHSA-N 1 0 253.298 1.008 20 10 CDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c(O)c1 ZINC001144500423 931860502 /nfs/dbraw/zinc/86/05/02/931860502.db2.gz TZEFVPBHCVLRDK-MNOVXSKESA-N 1 0 271.288 1.098 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1O ZINC001144504184 931865681 /nfs/dbraw/zinc/86/56/81/931865681.db2.gz NIHPUMODPNUAGC-OQPBUACISA-N 1 0 253.298 1.006 20 10 CDCDRO CCN1CC[N@H+](Cc2c(O)cc(O)cc2O)C(C)(C)C1 ZINC001144519976 931871226 /nfs/dbraw/zinc/87/12/26/931871226.db2.gz FVCPZWXXEBQKIS-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO Oc1cc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001144509151 931874269 /nfs/dbraw/zinc/87/42/69/931874269.db2.gz MQGUBQNPVQFYNV-SNVBAGLBSA-N 1 0 264.325 1.083 20 10 CDCDRO CCN1CCC([N@H+](C)Cc2c(O)cc(O)cc2O)CC1 ZINC001144508863 931874393 /nfs/dbraw/zinc/87/43/93/931874393.db2.gz BFJFSPKYUCSLCF-UHFFFAOYSA-N 1 0 280.368 1.720 20 10 CDCDRO CCOCC[NH+](CCOCC)Cc1c(O)cc(O)cc1O ZINC001144514701 931877457 /nfs/dbraw/zinc/87/74/57/931877457.db2.gz PCFWHJQLPMFEAY-UHFFFAOYSA-N 1 0 299.367 1.678 20 10 CDCDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516159 931880372 /nfs/dbraw/zinc/88/03/72/931880372.db2.gz RBKCHQKMELEKMS-SNVBAGLBSA-N 1 0 294.351 1.294 20 10 CDCDRO [NH3+][C@H]1CN(Cc2cccc(F)c2O)CC(F)(F)C1 ZINC001206124460 932102662 /nfs/dbraw/zinc/10/26/62/932102662.db2.gz KOBVHDIUIAMVAS-SECBINFHSA-N 1 0 260.259 1.700 20 10 CDCDRO CC[NH+]1CCC(N(C)C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148584155 932753172 /nfs/dbraw/zinc/75/31/72/932753172.db2.gz PYKGRPOPIIQMOJ-UHFFFAOYSA-N 1 0 294.351 1.360 20 10 CDCDRO CCc1cccc(C[N@H+](C)C[C@@H](C)C(=O)NC)c1O ZINC000692086076 934378003 /nfs/dbraw/zinc/37/80/03/934378003.db2.gz KVWUZVXKOAFBHE-LLVKDONJSA-N 1 0 264.369 1.769 20 10 CDCDRO CN(C[C@@H]1CCC[NH2+]C1)C(=O)Cc1ccc(N)cc1 ZINC001160697567 938815649 /nfs/dbraw/zinc/81/56/49/938815649.db2.gz AQLZKDFSVJSVLA-CYBMUJFWSA-N 1 0 261.369 1.269 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(O)c1 ZINC001203621029 939697020 /nfs/dbraw/zinc/69/70/20/939697020.db2.gz OMOLIXDGDNMBQE-BXUZGUMPSA-N 1 0 265.353 1.994 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880247 939711167 /nfs/dbraw/zinc/71/11/67/939711167.db2.gz MWBBEXFQZRKTTG-NSHDSACASA-N 1 0 279.336 1.873 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)cc1 ZINC001203936296 939715393 /nfs/dbraw/zinc/71/53/93/939715393.db2.gz CGQCZFBILPEYMC-DZGCQCFKSA-N 1 0 273.380 1.321 20 10 CDCDRO Oc1ccc(CN2CC[NH+](C3CCC3)CC2)c(O)c1 ZINC001204272291 939750187 /nfs/dbraw/zinc/75/01/87/939750187.db2.gz MKUQPVUNGSUQFS-UHFFFAOYSA-N 1 0 262.353 1.768 20 10 CDCDRO CC(C)C[NH+]1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204274051 939750517 /nfs/dbraw/zinc/75/05/17/939750517.db2.gz ZPCKTXNITOPGFU-UHFFFAOYSA-N 1 0 264.369 1.871 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@]3(CCCO3)C2)cc(O)c1O ZINC001204343839 939757042 /nfs/dbraw/zinc/75/70/42/939757042.db2.gz SYKRKRNQOLIIRZ-OAHLLOKOSA-N 1 0 279.336 1.861 20 10 CDCDRO N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC001206221061 940000279 /nfs/dbraw/zinc/00/02/79/940000279.db2.gz FKEJEVIUUYCVNR-LLVKDONJSA-N 1 0 260.259 1.858 20 10 CDCDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1nc[nH]c2cc(=O)c(O)cc1-2 ZINC001217987774 941033273 /nfs/dbraw/zinc/03/32/73/941033273.db2.gz BJKLKZLQBXNVMI-LKFCYVNXSA-N 1 0 289.335 1.808 20 10 CDCDRO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H](N)C[NH3+])cc1 ZINC001218955336 941292999 /nfs/dbraw/zinc/29/29/99/941292999.db2.gz JPZXQILCCXKUDX-HNNXBMFYSA-N 1 0 284.363 1.088 20 10 CDCDRO NC(=O)[C@H]1CCC[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001277193145 942157305 /nfs/dbraw/zinc/15/73/05/942157305.db2.gz YVZDJQGYQQYEOK-CJNGLKHVSA-N 1 0 290.363 1.575 20 10 CDCDRO NC(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001277209654 942177014 /nfs/dbraw/zinc/17/70/14/942177014.db2.gz JMFLMWNAZLYBAI-RHSMWYFYSA-N 1 0 285.391 1.594 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C23CC(C(=O)N(C)C)(C2)C3)c1 ZINC001277462032 942671819 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CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC001232836588 943414159 /nfs/dbraw/zinc/41/41/59/943414159.db2.gz QNIBOBHWZCBHOJ-ZDUSSCGKSA-N 1 0 250.342 1.415 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OCCO3)c(O)c1 ZINC001232835301 943414182 /nfs/dbraw/zinc/41/41/82/943414182.db2.gz ADSLYUFMXVZFKS-UHFFFAOYSA-N 1 0 292.379 1.797 20 10 CDCDRO CN(C)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC001232835693 943414599 /nfs/dbraw/zinc/41/45/99/943414599.db2.gz FQTVGYNNFDQYJU-OAHLLOKOSA-N 1 0 293.411 1.221 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001232835717 943414753 /nfs/dbraw/zinc/41/47/53/943414753.db2.gz GHZCAPCKIMKMDE-KGLIPLIRSA-N 1 0 276.380 1.927 20 10 CDCDRO CCOC(=O)c1nc[nH]c1CN(C)Cc1ccccc1O ZINC001232916492 943431598 /nfs/dbraw/zinc/43/15/98/943431598.db2.gz KYXRUQNTNKJVJG-UHFFFAOYSA-N 1 0 289.335 1.924 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233012534 943461304 /nfs/dbraw/zinc/46/13/04/943461304.db2.gz JQRSCGJTWIAARE-CYBMUJFWSA-N 1 0 253.298 1.150 20 10 CDCDRO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC001233284225 943531432 /nfs/dbraw/zinc/53/14/32/943531432.db2.gz MQFCEARVQAOAJW-BLLLJJGKSA-N 1 0 293.407 1.865 20 10 CDCDRO Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCOC[C@H](O)C1 ZINC001233451871 943588562 /nfs/dbraw/zinc/58/85/62/943588562.db2.gz CFAUWNPWLJKOAD-LLVKDONJSA-N 1 0 291.269 1.604 20 10 CDCDRO CCN(CCC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233487150 943595888 /nfs/dbraw/zinc/59/58/88/943595888.db2.gz RYLUYZXYPBPULC-UHFFFAOYSA-N 1 0 268.357 1.577 20 10 CDCDRO CC[N@@H+]1CC[C@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233949295 943699201 /nfs/dbraw/zinc/69/92/01/943699201.db2.gz CPAYIBJRGQCKKB-VIFPVBQESA-N 1 0 275.308 1.514 20 10 CDCDRO CC[NH+]1CCN(c2ccc(OC3CN(C)C3)cc2)CC1 ZINC001234658292 943931824 /nfs/dbraw/zinc/93/18/24/943931824.db2.gz ZMDYXJMHTBNEMR-UHFFFAOYSA-N 1 0 275.396 1.521 20 10 CDCDRO Cc1ccc(C)c(CN2CCNC[C@@]23CC[NH2+]C3)c1O ZINC001234988127 943996978 /nfs/dbraw/zinc/99/69/78/943996978.db2.gz QGWGGYVJHHGGGR-INIZCTEOSA-N 1 0 275.396 1.146 20 10 CDCDRO Cc1cc(F)cc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235049599 944023458 /nfs/dbraw/zinc/02/34/58/944023458.db2.gz ZPGFAWUSPJIUQZ-QWHCGFSZSA-N 1 0 250.317 1.776 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001236028880 944383764 /nfs/dbraw/zinc/38/37/64/944383764.db2.gz SGNNWIYFABGDLG-SJLPKXTDSA-N 1 0 283.419 1.918 20 10 CDCDRO COC(=O)c1c(CN2C[C@H]3C[C@@]3([NH3+])C2)c2ccccc2n1C ZINC001236032252 944385232 /nfs/dbraw/zinc/38/52/32/944385232.db2.gz VSAUOAVLDXLVQA-PIGZYNQJSA-N 1 0 299.374 1.498 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(C(C)C)cc1O ZINC001236202607 944429833 /nfs/dbraw/zinc/42/98/33/944429833.db2.gz VAJWUEWBDQVCHJ-KGLIPLIRSA-N 1 0 292.379 1.590 20 10 CDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(CC(=O)OC)cc1O ZINC001236884980 944601957 /nfs/dbraw/zinc/60/19/57/944601957.db2.gz WVTPNQTXVHERDK-ZDUSSCGKSA-N 1 0 280.368 1.277 20 10 CDCDRO Oc1ccc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1O ZINC001237379922 944737156 /nfs/dbraw/zinc/73/71/56/944737156.db2.gz DRYBHDUTUNKAKG-STQMWFEESA-N 1 0 262.353 1.672 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c(OC)c1 ZINC001237675357 944920788 /nfs/dbraw/zinc/92/07/88/944920788.db2.gz WQJAGMHQOGFKPA-GWCFXTLKSA-N 1 0 281.352 1.612 20 10 CDCDRO Cc1cc(Cl)cc(C[NH+]2CCC(NC(N)=O)CC2)c1O ZINC001237681734 944922438 /nfs/dbraw/zinc/92/24/38/944922438.db2.gz QCFGGBAJVLHRCY-UHFFFAOYSA-N 1 0 297.786 1.987 20 10 CDCDRO Cc1cc(F)cc(CN2CC[N@@H+]3CC[C@@H]3C2)c1O ZINC001238066523 945047255 /nfs/dbraw/zinc/04/72/55/945047255.db2.gz MMJSQOFKZHSTHU-CYBMUJFWSA-N 1 0 250.317 1.730 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)n1ccnc1 ZINC001262338414 946591429 /nfs/dbraw/zinc/59/14/29/946591429.db2.gz PPRZNNWASQAQCN-LLVKDONJSA-N 1 0 294.351 1.952 20 10 CDCDRO C[C@@H](NC(=O)NCC1([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC001262579825 946731452 /nfs/dbraw/zinc/73/14/52/946731452.db2.gz AUJKKHDYMDKLEY-LLVKDONJSA-N 1 0 276.384 1.604 20 10 CDCDRO COC(=O)c1cc2ccc(C3=CC[NH2+]C3)cc2n1C ZINC001243111415 947020791 /nfs/dbraw/zinc/02/07/91/947020791.db2.gz RKHIBWJNTKOQEB-UHFFFAOYSA-N 1 0 256.305 1.952 20 10 CDCDRO C[C@@H]1CC[C@@H](NCCc2cc(O)c(O)cc2O)C[NH2+]1 ZINC001246210165 948029666 /nfs/dbraw/zinc/02/96/66/948029666.db2.gz CGDGRAIUQBQSHP-MWLCHTKSSA-N 1 0 266.341 1.076 20 10 CDCDRO O=C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(O)c(O)c1 ZINC001246293469 948086762 /nfs/dbraw/zinc/08/67/62/948086762.db2.gz RIFXHZQYWXPXAZ-FOSCPWQOSA-N 1 0 276.336 1.153 20 10 CDCDRO C[NH2+]C[C@@H](C)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001325324225 953840783 /nfs/dbraw/zinc/84/07/83/953840783.db2.gz NDRHIDMSYAJGER-CYBMUJFWSA-N 1 0 292.427 1.750 20 10 CDCDRO CN(C)c1cc(F)c(CN[C@H]2CCCN(C)C2=O)cc1F ZINC001328688391 955413370 /nfs/dbraw/zinc/41/33/70/955413370.db2.gz APCJTOYYJIGCKC-ZDUSSCGKSA-N 1 0 297.349 1.741 20 10 CDCDRO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001308579255 956551002 /nfs/dbraw/zinc/55/10/02/956551002.db2.gz ZNNFWWMUKKCHSC-SECBINFHSA-N 1 0 284.306 1.758 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCOC3=O)C2)c(O)c1 ZINC001308984624 956612260 /nfs/dbraw/zinc/61/22/60/956612260.db2.gz KZSAWDDDDGTVQL-OAHLLOKOSA-N 1 0 261.321 1.840 20 10 CDCDRO C[NH2+]C[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001333692305 958518726 /nfs/dbraw/zinc/51/87/26/958518726.db2.gz JUBPGRJMMHDNKQ-CYBMUJFWSA-N 1 0 294.418 1.275 20 10 CDCDRO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)n1ccnc1 ZINC001320690105 959328733 /nfs/dbraw/zinc/32/87/33/959328733.db2.gz DYLGZRCTISGXLS-QWRGUYRKSA-N 1 0 289.335 1.603 20 10 CDCDRO Nc1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC001335666632 959963330 /nfs/dbraw/zinc/96/33/30/959963330.db2.gz SHNGQAFQPXGJPC-CYBMUJFWSA-N 1 0 262.357 1.210 20 10 CDCDRO CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N)cc1 ZINC001335725987 959992152 /nfs/dbraw/zinc/99/21/52/959992152.db2.gz PMSXFASBKOXWHY-UHFFFAOYSA-N 1 0 278.400 1.752 20 10 CDCDRO CN(CC(C)(C)[NH3+])C(=O)NCc1ccc(N)cc1 ZINC001335724743 959992479 /nfs/dbraw/zinc/99/24/79/959992479.db2.gz JZMLTHCCOWDCBX-UHFFFAOYSA-N 1 0 250.346 1.148 20 10 CDCDRO CC(C)OCC[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001336116056 960210494 /nfs/dbraw/zinc/21/04/94/960210494.db2.gz AXBBDIQCVPRSFP-UHFFFAOYSA-N 1 0 277.412 1.811 20 10 CDCDRO Nc1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC001337837698 961460804 /nfs/dbraw/zinc/46/08/04/961460804.db2.gz DCWPJPDFHVFVNB-UHFFFAOYSA-N 1 0 271.368 1.773 20 10 CDCDRO CCCN(C(=O)NCc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001338793690 962000368 /nfs/dbraw/zinc/00/03/68/962000368.db2.gz RYMQGOSSJDPQQC-CQSZACIVSA-N 1 0 276.384 1.552 20 10 CDCDRO Nc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1 ZINC001352789590 967482191 /nfs/dbraw/zinc/48/21/91/967482191.db2.gz KQSPGIWCSBCERH-UHFFFAOYSA-N 1 0 259.353 1.371 20 10 CDCDRO COC(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC000161798186 342483853 /nfs/dbraw/zinc/48/38/53/342483853.db2.gz AVVONWIISLIROT-CQSZACIVSA-N 1 0 295.379 1.992 20 10 CDCDRO COc1cc(O)c(CN2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000160245044 342482836 /nfs/dbraw/zinc/48/28/36/342482836.db2.gz WKVRYCQWDUFAFO-CYBMUJFWSA-N 1 0 294.395 1.935 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000193595835 342565978 /nfs/dbraw/zinc/56/59/78/342565978.db2.gz OHZHRYGKFSEKJS-OQPBUACISA-N 1 0 294.326 1.348 20 10 CDCDRO CC[C@@H]([NH2+]CCCNC(C)=O)c1ccccc1O ZINC000121107602 343221187 /nfs/dbraw/zinc/22/11/87/343221187.db2.gz CLEFKDQQCPMHSJ-CYBMUJFWSA-N 1 0 250.342 1.959 20 10 CDCDRO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000090849156 342397673 /nfs/dbraw/zinc/39/76/73/342397673.db2.gz FXUXGCFOHNKQEB-HOTGVXAUSA-N 1 0 278.396 1.945 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237151341 282295693 /nfs/dbraw/zinc/29/56/93/282295693.db2.gz GAPDWDNRWYGZJS-NWDGAFQWSA-N 1 0 289.379 1.605 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCC1(O)CCC1)OCO2 ZINC000283883544 362692448 /nfs/dbraw/zinc/69/24/48/362692448.db2.gz HDOSGFHCDRNBIR-UHFFFAOYSA-N 1 0 265.309 1.516 20 10 CDCDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000276142845 366032104 /nfs/dbraw/zinc/03/21/04/366032104.db2.gz DDPSZJTXHQBWFV-CYBMUJFWSA-N 1 0 295.402 1.390 20 10 CDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1O ZINC000179802767 357225896 /nfs/dbraw/zinc/22/58/96/357225896.db2.gz ZYWUGGLDKGVIFD-MRXNPFEDSA-N 1 0 290.407 1.997 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC000187540339 357776613 /nfs/dbraw/zinc/77/66/13/357776613.db2.gz JADQRUZEDNFUHO-INIZCTEOSA-N 1 0 293.363 1.782 20 10 CDCDRO CCN(CC)c1ccc(CN2CC[NH+](CCO)CC2)cc1 ZINC000112119206 359287290 /nfs/dbraw/zinc/28/72/90/359287290.db2.gz KSOISQQOSGLCOL-UHFFFAOYSA-N 1 0 291.439 1.643 20 10 CDCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)N1CCOCC1 ZINC000167685960 364944271 /nfs/dbraw/zinc/94/42/71/364944271.db2.gz COKJNBDZOAWSER-OLZOCXBDSA-N 1 0 291.395 1.037 20 10 CDCDRO C[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)C(F)(F)F ZINC000272527474 365278100 /nfs/dbraw/zinc/27/81/00/365278100.db2.gz ZEFFZBAZBLTAPU-SNVBAGLBSA-N 1 0 267.222 1.934 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272587356 365309246 /nfs/dbraw/zinc/30/92/46/365309246.db2.gz HHVLZHRCWVDHLO-WFASDCNBSA-N 1 0 276.380 1.927 20 10 CDCDRO Oc1ccccc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273756025 365522259 /nfs/dbraw/zinc/52/22/59/365522259.db2.gz OJWFFMQQLQXQHO-UHFFFAOYSA-N 1 0 288.326 1.644 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1C ZINC000282285958 367813375 /nfs/dbraw/zinc/81/33/75/367813375.db2.gz IQALSCJJMUMXKL-QMTHXVAHSA-N 1 0 262.353 1.618 20 10 CDCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294415004 371059085 /nfs/dbraw/zinc/05/90/85/371059085.db2.gz UABMHWDJIQCJLV-MNOVXSKESA-N 1 0 250.342 1.794 20 10 CDCDRO Nc1ccc(CCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000295191592 371143153 /nfs/dbraw/zinc/14/31/53/371143153.db2.gz OCCAPIWZJAXTBK-GFCCVEGCSA-N 1 0 299.378 1.041 20 10 CDCDRO C[N@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000272581061 371115251 /nfs/dbraw/zinc/11/52/51/371115251.db2.gz GSWGXZCFKHCDRD-UHFFFAOYSA-N 1 0 250.317 1.883 20 10 CDCDRO C[NH2+]CCc1ccccc1C(=O)N1CCn2nccc21 ZINC000639034430 377315513 /nfs/dbraw/zinc/31/55/13/377315513.db2.gz FPIHVHDYVHBOHM-UHFFFAOYSA-N 1 0 270.336 1.305 20 10 CDCDRO Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)c(O)c1O ZINC000177666563 391173909 /nfs/dbraw/zinc/17/39/09/391173909.db2.gz JSTRQLCBNWAEDT-UHFFFAOYSA-N 1 0 290.363 1.763 20 10 CDCDRO CCCN(C(=O)Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC000178891192 391193407 /nfs/dbraw/zinc/19/34/07/391193407.db2.gz HAFDASSWIYOKEO-AWEZNQCLSA-N 1 0 261.369 1.412 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@](C)(O)CCOC)c1O ZINC000172070705 261069823 /nfs/dbraw/zinc/06/98/23/261069823.db2.gz UKDFJHKGVNNEMA-OAHLLOKOSA-N 1 0 283.368 1.668 20 10 CDCDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000185777725 262070011 /nfs/dbraw/zinc/07/00/11/262070011.db2.gz BTBFNSWFPLWVTI-GFCCVEGCSA-N 1 0 294.351 1.721 20 10 CDCDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272445741 263004658 /nfs/dbraw/zinc/00/46/58/263004658.db2.gz MYSYXOAQHLJHTD-STMXVASLSA-N 1 0 290.363 1.712 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2COCCN2)c1O ZINC000530182323 271136164 /nfs/dbraw/zinc/13/61/64/271136164.db2.gz TYOBMVIXYVZPHY-NSHDSACASA-N 1 0 286.759 1.132 20 10 CDCDRO O=C([C@H]1CC[N@@H+](Cc2ccccc2O)C1)N1CCCC1 ZINC000377861498 329032126 /nfs/dbraw/zinc/03/21/26/329032126.db2.gz RRCCDQSRESOPFN-AWEZNQCLSA-N 1 0 274.364 1.837 20 10 CDCDRO CCn1nncc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000527725583 330277527 /nfs/dbraw/zinc/27/75/27/330277527.db2.gz FOSGVIBZYYEYJD-UHFFFAOYSA-N 1 0 260.341 1.910 20 10 CDCDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]21 ZINC000228932949 333298940 /nfs/dbraw/zinc/29/89/40/333298940.db2.gz IUVGXEUDAGGSPL-DGCLKSJQSA-N 1 0 290.363 1.654 20 10 CDCDRO CC[NH+](CC)CC(=O)NCc1ccc(O)c(O)c1 ZINC000130165036 520577925 /nfs/dbraw/zinc/57/79/25/520577925.db2.gz PWEUWKUQMUKNFY-UHFFFAOYSA-N 1 0 252.314 1.056 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000278532029 521155575 /nfs/dbraw/zinc/15/55/75/521155575.db2.gz VKIYAEASKWWPQI-OAHLLOKOSA-N 1 0 281.352 1.422 20 10 CDCDRO CCC[N@H+](CCC(=O)NC)Cc1ccccc1O ZINC000263911219 521629286 /nfs/dbraw/zinc/62/92/86/521629286.db2.gz LFHQXBNTUQHQLO-UHFFFAOYSA-N 1 0 250.342 1.740 20 10 CDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000265245008 521897179 /nfs/dbraw/zinc/89/71/79/521897179.db2.gz MRSKVLADLFSYDM-OAHLLOKOSA-N 1 0 284.375 1.769 20 10 CDCDRO COCC[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000291024149 521994344 /nfs/dbraw/zinc/99/43/44/521994344.db2.gz AORWYUINXRRJAH-ZDUSSCGKSA-N 1 0 251.326 1.630 20 10 CDCDRO COC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCCO1 ZINC000278784936 522361641 /nfs/dbraw/zinc/36/16/41/522361641.db2.gz ZQBGMNAXIKVBSP-DGCLKSJQSA-N 1 0 295.335 1.405 20 10 CDCDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccccc1O ZINC000290258586 522760541 /nfs/dbraw/zinc/76/05/41/522760541.db2.gz UXTUDYDDUFUUPT-OBJOEFQTSA-N 1 0 251.326 1.847 20 10 CDCDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1OC ZINC000279426890 522782454 /nfs/dbraw/zinc/78/24/54/522782454.db2.gz NUQHWTBVRMFIIR-ZUZCIYMTSA-N 1 0 297.351 1.039 20 10 CDCDRO CC[C@@]1(C(=O)N(C)Cc2ccccc2O)CCC[NH2+]1 ZINC000128941813 523690252 /nfs/dbraw/zinc/69/02/52/523690252.db2.gz IAZGHIUEOBYXFD-HNNXBMFYSA-N 1 0 262.353 1.883 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1C ZINC000227974358 524072129 /nfs/dbraw/zinc/07/21/29/524072129.db2.gz OOONTUDXISDCTJ-DOMZBBRYSA-N 1 0 265.353 1.633 20 10 CDCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000131016845 524659875 /nfs/dbraw/zinc/65/98/75/524659875.db2.gz TVAOGNJOCVOOGP-HOGDKLEQSA-N 1 0 285.365 1.320 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000038082796 524762884 /nfs/dbraw/zinc/76/28/84/524762884.db2.gz VKRHSWSHUKKKNW-GHMZBOCLSA-N 1 0 299.392 1.486 20 10 CDCDRO C[C@]1(C(=O)NCCc2ccc(N)cc2)CCC[NH2+]C1 ZINC000237761401 525205679 /nfs/dbraw/zinc/20/56/79/525205679.db2.gz JYVZNAZRQSARLH-HNNXBMFYSA-N 1 0 261.369 1.317 20 10 CDCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCO2)NCC(F)F ZINC000280346550 526883937 /nfs/dbraw/zinc/88/39/37/526883937.db2.gz RXCPRVHDVGQDBI-UHFFFAOYSA-N 1 0 270.279 1.092 20 10 CDCDRO Nc1ccc(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262569852 527481152 /nfs/dbraw/zinc/48/11/52/527481152.db2.gz BUHLOYVYBGMUCU-JSGCOSHPSA-N 1 0 261.369 1.445 20 10 CDCDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCNC1=O ZINC000770380068 575442530 /nfs/dbraw/zinc/44/25/30/575442530.db2.gz LIQOKAARCMNUCG-SNVBAGLBSA-N 1 0 254.717 1.366 20 10 CDCDRO COc1c(O)c(CN2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774821744 575244041 /nfs/dbraw/zinc/24/40/41/575244041.db2.gz ZPUPOHPLGNUROJ-SECBINFHSA-N 1 0 281.312 1.103 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000770292674 575436851 /nfs/dbraw/zinc/43/68/51/575436851.db2.gz OFFHJPKFARRJGN-WCQYABFASA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1 ZINC000772982340 575772198 /nfs/dbraw/zinc/77/21/98/575772198.db2.gz CYUXNXVPFQOIJV-NSHDSACASA-N 1 0 275.352 1.855 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@@H]1CCCO1 ZINC000768441725 576283699 /nfs/dbraw/zinc/28/36/99/576283699.db2.gz GYOTXGOUFBNGBZ-WFASDCNBSA-N 1 0 293.363 1.819 20 10 CDCDRO CCOc1ccc(CN2CC[NH2+]C(C)(C)C2)c(O)c1 ZINC000769191627 576336699 /nfs/dbraw/zinc/33/66/99/576336699.db2.gz FOVPEUBXLDRSRR-UHFFFAOYSA-N 1 0 264.369 1.975 20 10 CDCDRO CNC(=O)CC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769468944 576356898 /nfs/dbraw/zinc/35/68/98/576356898.db2.gz QMCULGSPZWCQSK-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO C[N@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O ZINC000760855694 576516513 /nfs/dbraw/zinc/51/65/13/576516513.db2.gz HSBYVXBPHCMCCI-GFCCVEGCSA-N 1 0 283.393 1.649 20 10 CDCDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000761223915 576561130 /nfs/dbraw/zinc/56/11/30/576561130.db2.gz VCNKQELSMTUBLD-DZGCQCFKSA-N 1 0 281.352 1.684 20 10 CDCDRO OC[C@@H](CC1CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000754834806 576918029 /nfs/dbraw/zinc/91/80/29/576918029.db2.gz OJJFGKDYJLCDFG-MRXNPFEDSA-N 1 0 290.407 1.774 20 10 CDCDRO C[N@H+](Cc1cccc(=O)[nH]1)Cc1cc2c(cc1O)OCO2 ZINC000897391970 620695835 /nfs/dbraw/zinc/69/58/35/620695835.db2.gz HWPBRQYDSJKOIO-UHFFFAOYSA-N 1 0 288.303 1.854 20 10 CDCDRO O=S1(=O)CCC([NH2+]Cc2ccccc2O)CC1 ZINC000036331327 617227360 /nfs/dbraw/zinc/22/73/60/617227360.db2.gz XOYONRAZLAKHSQ-UHFFFAOYSA-N 1 0 255.339 1.059 20 10 CDCDRO CCN1CCO[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759384 617320867 /nfs/dbraw/zinc/32/08/67/617320867.db2.gz AITVYPGRURSSLT-LBPRGKRZSA-N 1 0 298.770 1.383 20 10 CDCDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)c1ccccc1O ZINC000892019503 617413480 /nfs/dbraw/zinc/41/34/80/617413480.db2.gz QIZHYHFZVUSPAT-ZYHUDNBSSA-N 1 0 265.357 1.736 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2CCCCNC2=O)c(O)c1OC ZINC000892545510 617493289 /nfs/dbraw/zinc/49/32/89/617493289.db2.gz ODUFGBVNAUZULZ-NSHDSACASA-N 1 0 294.351 1.168 20 10 CDCDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1Cc2cccc(O)c2C1 ZINC000892157206 617513135 /nfs/dbraw/zinc/51/31/35/617513135.db2.gz QMTLXMAEWKZBJN-GFCCVEGCSA-N 1 0 297.305 1.415 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1O ZINC000892294548 617708529 /nfs/dbraw/zinc/70/85/29/617708529.db2.gz ZZYMQTAAWCSANS-WOPDTQHZSA-N 1 0 277.368 1.893 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000840957111 617807149 /nfs/dbraw/zinc/80/71/49/617807149.db2.gz DONKKWBEHDRSAN-NSHDSACASA-N 1 0 278.352 1.311 20 10 CDCDRO COc1ccc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c(O)c1OC ZINC000893669270 617819230 /nfs/dbraw/zinc/81/92/30/617819230.db2.gz LSPGNJZXLQRISI-RYUDHWBXSA-N 1 0 294.395 1.934 20 10 CDCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000841709879 617990944 /nfs/dbraw/zinc/99/09/44/617990944.db2.gz NQOPNUGTYMKUSC-GFCCVEGCSA-N 1 0 276.384 1.433 20 10 CDCDRO COc1ccc(C[N@H+](C)CC2CC(O)C2)c(O)c1OC ZINC000893907949 618184808 /nfs/dbraw/zinc/18/48/08/618184808.db2.gz RWJKQEDMNCVHJY-UHFFFAOYSA-N 1 0 281.352 1.612 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[NH2+]C1 ZINC000841043656 618677813 /nfs/dbraw/zinc/67/78/13/618677813.db2.gz URMHDHISNURBJE-OAHLLOKOSA-N 1 0 275.396 1.365 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@]2(OC)CCOC2)c1O ZINC000894469264 618905574 /nfs/dbraw/zinc/90/55/74/618905574.db2.gz GJHCCHIJLILVBC-HNNXBMFYSA-N 1 0 281.352 1.604 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC[C@@H](C)O)c1O ZINC000894590164 618973828 /nfs/dbraw/zinc/97/38/28/618973828.db2.gz YIAIJOXSHZBIOY-LLVKDONJSA-N 1 0 253.342 1.960 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)CCOCCO)c1O ZINC000894671341 619010698 /nfs/dbraw/zinc/01/06/98/619010698.db2.gz FIPUGPFZXNJGFI-UHFFFAOYSA-N 1 0 269.341 1.150 20 10 CDCDRO CC[C@H](CO)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000894872192 619112624 /nfs/dbraw/zinc/11/26/24/619112624.db2.gz ZLKYBVJZCZYMBI-GFCCVEGCSA-N 1 0 253.342 1.912 20 10 CDCDRO CCN1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)CC1=O ZINC000894900764 619133726 /nfs/dbraw/zinc/13/37/26/619133726.db2.gz OJRWMGYJSUXULQ-LBPRGKRZSA-N 1 0 278.352 1.420 20 10 CDCDRO C[NH2+]CCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841883921 619523426 /nfs/dbraw/zinc/52/34/26/619523426.db2.gz XBJAOXAERLBZPN-LBPRGKRZSA-N 1 0 278.400 1.722 20 10 CDCDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC000896144662 620002170 /nfs/dbraw/zinc/00/21/70/620002170.db2.gz ZBQJOTPOASTCNV-AAEUAGOBSA-N 1 0 263.337 1.942 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3COCC[C@@H]31)CCC2 ZINC000902626246 625051776 /nfs/dbraw/zinc/05/17/76/625051776.db2.gz SMGBNIXMHLOZDT-DOTOQJQBSA-N 1 0 289.375 1.871 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCCOCC1)CC2 ZINC000903227736 625925049 /nfs/dbraw/zinc/92/50/49/625925049.db2.gz NLXCXFGNWYECMZ-CQSZACIVSA-N 1 0 276.380 1.691 20 10 CDCDRO C[C@H]([NH2+]CCN1CCCOCC1)c1c([O-])cccc1F ZINC000903227699 625925664 /nfs/dbraw/zinc/92/56/64/625925664.db2.gz MXNWOXOGBNGSEA-LBPRGKRZSA-N 1 0 282.359 1.904 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000841084971 628056011 /nfs/dbraw/zinc/05/60/11/628056011.db2.gz RCKMOYHQUSGVMN-ONGXEEELSA-N 1 0 295.339 1.526 20 10 CDCDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC000910943514 629125415 /nfs/dbraw/zinc/12/54/15/629125415.db2.gz NGFJSLLVOGVOSB-GFCCVEGCSA-N 1 0 278.352 1.587 20 10 CDCDRO O=S1(=O)CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921751736 633266114 /nfs/dbraw/zinc/26/61/14/633266114.db2.gz MDKOKAXCTWHVEJ-AWEZNQCLSA-N 1 0 295.404 1.678 20 10 CDCDRO Oc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1O ZINC000041116815 1158527937 /nfs/dbraw/zinc/52/79/37/1158527937.db2.gz QQUJEZVLLQSGMH-AWEZNQCLSA-N 1 0 259.305 1.921 20 10 CDCDRO [NH3+]Cc1ccnc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170314147 1162334941 /nfs/dbraw/zinc/33/49/41/1162334941.db2.gz PKVCLCSTZCVUJQ-UHFFFAOYSA-N 1 0 273.292 1.246 20 10 CDCDRO C[NH+](C)C[C@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001142508982 1160689203 /nfs/dbraw/zinc/68/92/03/1160689203.db2.gz RMAOISLZOUNSOE-NSHDSACASA-N 1 0 286.322 1.433 20 10 CDCDRO COC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691462294 1162029871 /nfs/dbraw/zinc/02/98/71/1162029871.db2.gz MKSZPBGQBWIXQR-JTQLQIEISA-N 1 0 290.157 1.252 20 10 CDCDRO COCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001755223176 1185862270 /nfs/dbraw/zinc/86/22/70/1185862270.db2.gz HIDAHHQKARFLJS-QWHCGFSZSA-N 1 0 294.395 1.633 20 10 CDCDRO CC(C)[N@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775642427 697654092 /nfs/dbraw/zinc/65/40/92/697654092.db2.gz HCXLCCCDSJQNQC-UHFFFAOYSA-N 1 0 274.723 1.880 20 10 CDCDRO C[NH2+][C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843048491 697711400 /nfs/dbraw/zinc/71/14/00/697711400.db2.gz BYNYDPLMTMHRHK-NSHDSACASA-N 1 0 264.325 1.305 20 10 CDCDRO Oc1c(C[N@H+]2CCOC[C@H](O)C2)ccc2ccccc21 ZINC000824625025 697735595 /nfs/dbraw/zinc/73/55/95/697735595.db2.gz DMTDHMMBTHIXCF-CQSZACIVSA-N 1 0 273.332 1.739 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858298114 697757757 /nfs/dbraw/zinc/75/77/57/697757757.db2.gz MYEAHKKPVVYOBD-SNVBAGLBSA-N 1 0 270.760 1.202 20 10 CDCDRO OCC1(CO)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000877798033 697783615 /nfs/dbraw/zinc/78/36/15/697783615.db2.gz VHHPVKGVXVMEFG-UHFFFAOYSA-N 1 0 285.771 1.612 20 10 CDCDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167674 697805637 /nfs/dbraw/zinc/80/56/37/697805637.db2.gz ASBVLCNNHZDVKS-UWVGGRQHSA-N 1 0 266.341 1.576 20 10 CDCDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(C)cc1O ZINC000877326031 697815806 /nfs/dbraw/zinc/81/58/06/697815806.db2.gz RHCMKTCJRMXILI-OAHLLOKOSA-N 1 0 281.352 1.758 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(O)c1O ZINC000780950961 697822204 /nfs/dbraw/zinc/82/22/04/697822204.db2.gz PIOSHTHSUHKIJW-WDEREUQCSA-N 1 0 278.352 1.619 20 10 CDCDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000841762720 697846060 /nfs/dbraw/zinc/84/60/60/697846060.db2.gz ZUYDFEJMQBNTMT-VIFPVBQESA-N 1 0 268.336 1.038 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCCF ZINC000922101286 697856391 /nfs/dbraw/zinc/85/63/91/697856391.db2.gz CYEPHCSCQCOWJZ-LLVKDONJSA-N 1 0 280.343 1.575 20 10 CDCDRO C[N@H+](Cc1ccccc1O)C1(CO)CCOCC1 ZINC000827909912 697868651 /nfs/dbraw/zinc/86/86/51/697868651.db2.gz YWDGZELXEDQZQA-UHFFFAOYSA-N 1 0 251.326 1.366 20 10 CDCDRO COc1cccc(CNC(=O)NC[C@@H]([NH3+])C(C)C)c1O ZINC000841944747 697892016 /nfs/dbraw/zinc/89/20/16/697892016.db2.gz QCGWACCWDOQVRF-LLVKDONJSA-N 1 0 281.356 1.183 20 10 CDCDRO [NH3+]CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000165424534 697997013 /nfs/dbraw/zinc/99/70/13/697997013.db2.gz NCTSJPRZSIEZKJ-UHFFFAOYSA-N 1 0 279.409 1.205 20 10 CDCDRO Oc1cccc2c1[C@@H]([NH2+]CCNc1cnccn1)CC2 ZINC000834625239 698005331 /nfs/dbraw/zinc/00/53/31/698005331.db2.gz WEQKBGRMTRATAM-LBPRGKRZSA-N 1 0 270.336 1.871 20 10 CDCDRO C[NH+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779522573 698027250 /nfs/dbraw/zinc/02/72/50/698027250.db2.gz UVWDZBAVHYARLX-BPJJOFIESA-N 1 0 290.363 1.521 20 10 CDCDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230677996 698080129 /nfs/dbraw/zinc/08/01/29/698080129.db2.gz AQCVEZKHVOAGSW-ONGXEEELSA-N 1 0 265.309 1.372 20 10 CDCDRO NC(=[NH2+])NCc1ccc(N2CCSCC2)cc1 ZINC000303262026 698217099 /nfs/dbraw/zinc/21/70/99/698217099.db2.gz PETBMCQBXHNSHD-UHFFFAOYSA-N 1 0 250.371 1.223 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)c(O)c1 ZINC000877029189 698322815 /nfs/dbraw/zinc/32/28/15/698322815.db2.gz UWNMFOZKBSFDSH-JTQLQIEISA-N 1 0 257.355 1.223 20 10 CDCDRO Oc1ccc(Cl)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385398314 698325733 /nfs/dbraw/zinc/32/57/33/698325733.db2.gz VFWCGZSNDCHZRO-SKDRFNHKSA-N 1 0 252.745 1.839 20 10 CDCDRO COc1cccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1O ZINC000809751913 698330615 /nfs/dbraw/zinc/33/06/15/698330615.db2.gz XOAHAAXAZBZLSM-SNVBAGLBSA-N 1 0 279.258 1.756 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000817939565 698370578 /nfs/dbraw/zinc/37/05/78/698370578.db2.gz COVDUSDHLBEFNM-JGGQBBKZSA-N 1 0 277.412 1.767 20 10 CDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1COCCO1 ZINC000083552033 698384765 /nfs/dbraw/zinc/38/47/65/698384765.db2.gz UTKDBYLWLTWIMO-VIFPVBQESA-N 1 0 257.717 1.551 20 10 CDCDRO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(Cl)cc1O ZINC000841752219 698409353 /nfs/dbraw/zinc/40/93/53/698409353.db2.gz NBITWEQFAKIDFJ-QMTHXVAHSA-N 1 0 284.787 1.763 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(C)(CO)CC2)c1 ZINC000184071929 698438129 /nfs/dbraw/zinc/43/81/29/698438129.db2.gz VSLBQWRKCGRUOX-UHFFFAOYSA-N 1 0 265.353 1.995 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000848903938 698467363 /nfs/dbraw/zinc/46/73/63/698467363.db2.gz HEWYJCFWBPNCLO-CQSZACIVSA-N 1 0 272.352 1.993 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000840963078 698496709 /nfs/dbraw/zinc/49/67/09/698496709.db2.gz PZNIGEUGKTZXJK-DOMZBBRYSA-N 1 0 295.379 1.668 20 10 CDCDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846111307 698539748 /nfs/dbraw/zinc/53/97/48/698539748.db2.gz OCCIQCUAFWNDBD-ZDUSSCGKSA-N 1 0 296.386 1.865 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2O)c2c1c(F)ccc2O ZINC000866421221 698577263 /nfs/dbraw/zinc/57/72/63/698577263.db2.gz XSULCXBUFYLBEX-LZDMXVKQSA-N 1 0 267.300 1.429 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000797903119 698612958 /nfs/dbraw/zinc/61/29/58/698612958.db2.gz OQPRAFZXTFSBBB-IBGZPJMESA-N 1 0 283.393 1.792 20 10 CDCDRO Cc1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)c(O)c1 ZINC000876722285 698658415 /nfs/dbraw/zinc/65/84/15/698658415.db2.gz YZHWVAMFJICRPN-AWEZNQCLSA-N 1 0 265.353 1.674 20 10 CDCDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000824815659 698712539 /nfs/dbraw/zinc/71/25/39/698712539.db2.gz WABLXNQKVJMWJI-ZWNOBZJWSA-N 1 0 279.336 1.978 20 10 CDCDRO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc(N(C)C)cc1 ZINC000305109983 698759354 /nfs/dbraw/zinc/75/93/54/698759354.db2.gz FKRTVJBWPYNDQB-WFASDCNBSA-N 1 0 265.401 1.326 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(N(C)C)cc1 ZINC000840808869 698784190 /nfs/dbraw/zinc/78/41/90/698784190.db2.gz YBODVUQQMLKTEP-IUODEOHRSA-N 1 0 289.383 1.056 20 10 CDCDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)c(O)c1 ZINC000877500447 698797411 /nfs/dbraw/zinc/79/74/11/698797411.db2.gz UTTBFERHOZNUNN-JTQLQIEISA-N 1 0 254.305 1.264 20 10 CDCDRO COc1cc(O)c(C[N@H+](C)C2(CO)CC2)cc1OC ZINC000827904098 698803833 /nfs/dbraw/zinc/80/38/33/698803833.db2.gz UYNFLWDSUBTKKR-UHFFFAOYSA-N 1 0 267.325 1.366 20 10 CDCDRO Cc1cc(C[N@H+](C)C[C@H]2COCCO2)ccc1N(C)C ZINC000852498454 698835804 /nfs/dbraw/zinc/83/58/04/698835804.db2.gz ICUGDTIVPKORBO-HNNXBMFYSA-N 1 0 278.396 1.908 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH3+] ZINC000841982369 698870152 /nfs/dbraw/zinc/87/01/52/698870152.db2.gz ATNDTZFAUVNMEA-NSHDSACASA-N 1 0 265.357 1.661 20 10 CDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877494622 698887116 /nfs/dbraw/zinc/88/71/16/698887116.db2.gz MQDRJUWEJGVNNT-HNNXBMFYSA-N 1 0 262.353 1.659 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000842911134 698894141 /nfs/dbraw/zinc/89/41/41/698894141.db2.gz YAGWUWOGRSEZBI-NILFDRSVSA-N 1 0 264.369 1.817 20 10 CDCDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000825045579 698894505 /nfs/dbraw/zinc/89/45/05/698894505.db2.gz HHJZIYOYMMIWBT-SNVBAGLBSA-N 1 0 289.335 1.575 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)c1 ZINC000886229889 698902371 /nfs/dbraw/zinc/90/23/71/698902371.db2.gz XJYKWPMZWXQLJW-KGLIPLIRSA-N 1 0 295.379 1.811 20 10 CDCDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817945495 698941389 /nfs/dbraw/zinc/94/13/89/698941389.db2.gz DZAGZONRDYLXQV-MNOVXSKESA-N 1 0 279.340 1.951 20 10 CDCDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996991 698950870 /nfs/dbraw/zinc/95/08/70/698950870.db2.gz OOKLRVOMCCSRAP-CQSZACIVSA-N 1 0 265.353 1.497 20 10 CDCDRO COc1ccc(O)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086467089 698969130 /nfs/dbraw/zinc/96/91/30/698969130.db2.gz FDBYPWYZWMKETG-MNOVXSKESA-N 1 0 250.342 1.583 20 10 CDCDRO CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843355821 698986317 /nfs/dbraw/zinc/98/63/17/698986317.db2.gz KAIJUPWUNOOGLS-LKFCYVNXSA-N 1 0 296.342 1.282 20 10 CDCDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(N)nc2)cc1 ZINC000843125865 704821687 /nfs/dbraw/zinc/82/16/87/704821687.db2.gz KAXBIZKDZVCHJG-HNNXBMFYSA-N 1 0 285.395 1.519 20 10 CDCDRO CCc1cccc(CN2CCOC[C@]23CCOC3)c1O ZINC000848908819 704835069 /nfs/dbraw/zinc/83/50/69/704835069.db2.gz FAYVPEJXBWPJQW-MRXNPFEDSA-N 1 0 277.364 1.946 20 10 CDCDRO O=C(C[C@@H]1CC[NH2+]C1)NCCCSc1nccs1 ZINC000129388315 704847990 /nfs/dbraw/zinc/84/79/90/704847990.db2.gz SPPOTMODEINJLH-JTQLQIEISA-N 1 0 285.438 1.741 20 10 CDCDRO CCc1cccc(C[NH2+]CCNC(=O)C2CC2)c1O ZINC000709429093 704868285 /nfs/dbraw/zinc/86/82/85/704868285.db2.gz UOVWFCPREXKEFD-UHFFFAOYSA-N 1 0 262.353 1.570 20 10 CDCDRO CCN(CC)C(=O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776096559 704879973 /nfs/dbraw/zinc/87/99/73/704879973.db2.gz CLPNBMUMWSGEKY-UHFFFAOYSA-N 1 0 296.367 1.367 20 10 CDCDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)Cc1ccccc1O ZINC000890073058 705081271 /nfs/dbraw/zinc/08/12/71/705081271.db2.gz FIOFCBOAGQLADU-CYBMUJFWSA-N 1 0 277.368 1.628 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000111952385 705099661 /nfs/dbraw/zinc/09/96/61/705099661.db2.gz KIGQBZGWMYRICT-UHFFFAOYSA-N 1 0 264.369 1.965 20 10 CDCDRO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000817280716 705168915 /nfs/dbraw/zinc/16/89/15/705168915.db2.gz KSMODJGVRCKGAK-HNNXBMFYSA-N 1 0 275.396 1.771 20 10 CDCDRO CCc1cccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1O ZINC000848919743 705209070 /nfs/dbraw/zinc/20/90/70/705209070.db2.gz RJGBTRXXGRNKPV-OAHLLOKOSA-N 1 0 276.380 1.205 20 10 CDCDRO CS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000037740541 848888885 /nfs/dbraw/zinc/88/88/85/848888885.db2.gz XPSZTXBGAHSUPP-UHFFFAOYSA-N 1 0 263.746 1.180 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](O)CC(C)C)c1O ZINC000227442233 848048608 /nfs/dbraw/zinc/04/86/08/848048608.db2.gz UFRGISMWAFMGQT-GFCCVEGCSA-N 1 0 253.342 1.897 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CNCCOC1 ZINC000925689861 848083691 /nfs/dbraw/zinc/08/36/91/848083691.db2.gz ITUVBGJBMZRQNY-ZBFHGGJFSA-N 1 0 291.439 1.570 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)[NH3+])cc1F ZINC000841799148 848157292 /nfs/dbraw/zinc/15/72/92/848157292.db2.gz QEDLJTGQCXAHEG-LLVKDONJSA-N 1 0 296.390 1.818 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNCCO2)c2c1c(F)ccc2O ZINC000817984168 848184960 /nfs/dbraw/zinc/18/49/60/848184960.db2.gz VQYLDTYLKMEVSN-JFGNBEQYSA-N 1 0 280.343 1.658 20 10 CDCDRO COc1ccc(C[NH2+]C2CCS(=O)(=O)CC2)c(O)c1 ZINC000040906186 848236795 /nfs/dbraw/zinc/23/67/95/848236795.db2.gz UAYCBBXNOOYLNG-UHFFFAOYSA-N 1 0 285.365 1.068 20 10 CDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000827812359 848257451 /nfs/dbraw/zinc/25/74/51/848257451.db2.gz KKZDZPTVVVIMJN-XYPYZODXSA-N 1 0 265.309 1.442 20 10 CDCDRO C[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000120246412 848287818 /nfs/dbraw/zinc/28/78/18/848287818.db2.gz YETILPAIJHBMBH-INIZCTEOSA-N 1 0 276.380 1.792 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@H]2CO[C@H](C)C2)cc1OC ZINC000843433006 848355451 /nfs/dbraw/zinc/35/54/51/848355451.db2.gz UDQLIOGSLCWFAA-KOLCDFICSA-N 1 0 267.325 1.676 20 10 CDCDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000381947874 848375731 /nfs/dbraw/zinc/37/57/31/848375731.db2.gz ANNGUHRDPUEGJA-CMPLNLGQSA-N 1 0 262.353 1.882 20 10 CDCDRO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1O ZINC000870988790 848386273 /nfs/dbraw/zinc/38/62/73/848386273.db2.gz ZMOQDCHKFAKQLQ-SECBINFHSA-N 1 0 286.335 1.252 20 10 CDCDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877090125 848459948 /nfs/dbraw/zinc/45/99/48/848459948.db2.gz RTVBGAVWCAHZHP-ZDUSSCGKSA-N 1 0 262.353 1.801 20 10 CDCDRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000886228578 848638564 /nfs/dbraw/zinc/63/85/64/848638564.db2.gz BOYHBBPQZKFKEE-NEPJUHHUSA-N 1 0 295.335 1.141 20 10 CDCDRO COc1ccc(CNC(=O)N[C@H](C)CCCC[NH3+])c(O)c1 ZINC000841994089 848646537 /nfs/dbraw/zinc/64/65/37/848646537.db2.gz HXFRQFAOVBFPNO-LLVKDONJSA-N 1 0 295.383 1.718 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[NH2+]C(C)C)c1 ZINC000828667145 848744682 /nfs/dbraw/zinc/74/46/82/848744682.db2.gz NEPWRLQHWWHYMP-NSHDSACASA-N 1 0 280.368 1.966 20 10 CDCDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092669063 848807966 /nfs/dbraw/zinc/80/79/66/848807966.db2.gz YZYXDPDNQVCFRJ-UHFFFAOYSA-N 1 0 275.396 1.853 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)ccc21 ZINC000827914159 848811215 /nfs/dbraw/zinc/81/12/15/848811215.db2.gz ZNJCHEKQHTVYGT-HNNXBMFYSA-N 1 0 287.407 1.683 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c1 ZINC000249487164 848819847 /nfs/dbraw/zinc/81/98/47/848819847.db2.gz UOFFQJCDZAOOTM-DGCLKSJQSA-N 1 0 251.326 1.282 20 10 CDCDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000129426667 848854015 /nfs/dbraw/zinc/85/40/15/848854015.db2.gz KPDXKJKVNJPITP-HOTGVXAUSA-N 1 0 290.407 1.772 20 10 CDCDRO COCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000828960316 848889847 /nfs/dbraw/zinc/88/98/47/848889847.db2.gz TXIVPMHYDGSNAJ-XJKSGUPXSA-N 1 0 296.411 1.427 20 10 CDCDRO O[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000816667957 848935898 /nfs/dbraw/zinc/93/58/98/848935898.db2.gz AOBIICZZWJQNEU-QGZVFWFLSA-N 1 0 290.407 1.870 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1O ZINC000783507665 848970547 /nfs/dbraw/zinc/97/05/47/848970547.db2.gz DJLPPFWOJDRNIF-QWHCGFSZSA-N 1 0 264.369 1.764 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000824477762 849010950 /nfs/dbraw/zinc/01/09/50/849010950.db2.gz FHQLFXZFDAPGGK-JTQLQIEISA-N 1 0 289.784 1.631 20 10 CDCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000809752138 849041016 /nfs/dbraw/zinc/04/10/16/849041016.db2.gz NOZLVSOMRVBGJR-CYBMUJFWSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)c(O)c1 ZINC000122919611 849180274 /nfs/dbraw/zinc/18/02/74/849180274.db2.gz YOVJQLRYNJLLQF-AWEZNQCLSA-N 1 0 267.325 1.296 20 10 CDCDRO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000817902404 849377352 /nfs/dbraw/zinc/37/73/52/849377352.db2.gz PSAJFGDHOCQEQZ-SWLSCSKDSA-N 1 0 276.380 1.478 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000706723030 849468347 /nfs/dbraw/zinc/46/83/47/849468347.db2.gz ZBNSNFDHMSBWBF-ZKYQVNSYSA-N 1 0 251.326 1.501 20 10 CDCDRO CN(CC[NH2+]Cc1cc2c(cc1O)OCO2)CC(F)F ZINC000858336342 849504672 /nfs/dbraw/zinc/50/46/72/849504672.db2.gz DKTODHOBCHUGFQ-UHFFFAOYSA-N 1 0 288.294 1.407 20 10 CDCDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167673 849505191 /nfs/dbraw/zinc/50/51/91/849505191.db2.gz ASBVLCNNHZDVKS-NXEZZACHSA-N 1 0 266.341 1.576 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CN(C)CCO1 ZINC000921864081 849518496 /nfs/dbraw/zinc/51/84/96/849518496.db2.gz RTDGQZXSHCHQBU-DYVFJYSZSA-N 1 0 290.407 1.820 20 10 CDCDRO COCCOc1ccccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000819427631 849606882 /nfs/dbraw/zinc/60/68/82/849606882.db2.gz UFXIOBKIIYWYLI-AWEZNQCLSA-N 1 0 294.395 1.579 20 10 CDCDRO CC(C)N1CC[C@@H](N2CCCc3cc(C[NH3+])ccc32)C1=O ZINC000843350746 849747865 /nfs/dbraw/zinc/74/78/65/849747865.db2.gz UMDHYKRBQQDFMB-MRXNPFEDSA-N 1 0 287.407 1.907 20 10 CDCDRO COc1cc(O)c(CN(C)[C@H]2CC[NH2+]C2)cc1OC ZINC000843049721 849759107 /nfs/dbraw/zinc/75/91/07/849759107.db2.gz TWEFRJQUDJUWMK-NSHDSACASA-N 1 0 266.341 1.203 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000841943590 849772291 /nfs/dbraw/zinc/77/22/91/849772291.db2.gz RLCCJCFNOUUYIX-WDEREUQCSA-N 1 0 293.367 1.513 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)NC(C)C ZINC000877021506 849806266 /nfs/dbraw/zinc/80/62/66/849806266.db2.gz UPCPFGLZQKSKLI-UHFFFAOYSA-N 1 0 286.397 1.118 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000775203518 849824038 /nfs/dbraw/zinc/82/40/38/849824038.db2.gz LJNCNVDGAGNLMP-CQSZACIVSA-N 1 0 269.316 1.817 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH2+]C)cc1F ZINC000841798685 849862881 /nfs/dbraw/zinc/86/28/81/849862881.db2.gz LNFQPYXFJHBKHF-UHFFFAOYSA-N 1 0 296.390 1.691 20 10 CDCDRO COc1ccc(O)c(CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000136279999 849981032 /nfs/dbraw/zinc/98/10/32/849981032.db2.gz PQRJCEZRFFJVRL-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO COc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1O ZINC000841980879 850003127 /nfs/dbraw/zinc/00/31/27/850003127.db2.gz IZDATKLQQGGWLX-VXGBXAGGSA-N 1 0 293.367 1.470 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(Cl)cc1O ZINC000841757704 850094556 /nfs/dbraw/zinc/09/45/56/850094556.db2.gz PNFUXXMTUGXDER-HNBZJPLGSA-N 1 0 257.717 1.456 20 10 CDCDRO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2O)on1 ZINC000879649067 850114299 /nfs/dbraw/zinc/11/42/99/850114299.db2.gz KXSRACSZHUUSTE-SNVBAGLBSA-N 1 0 275.308 1.978 20 10 CDCDRO COC[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000883317260 850161204 /nfs/dbraw/zinc/16/12/04/850161204.db2.gz ZOQCSPJPIJDUEP-PHIMTYICSA-N 1 0 251.326 1.915 20 10 CDCDRO COc1cccc(O)c1C[NH2+]CCN1CCCOCC1 ZINC000809751047 850221754 /nfs/dbraw/zinc/22/17/54/850221754.db2.gz NVBHTGWFBHGOFS-UHFFFAOYSA-N 1 0 280.368 1.213 20 10 CDCDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000398367306 850267606 /nfs/dbraw/zinc/26/76/06/850267606.db2.gz MZQCKGXFBBSSAP-GFCCVEGCSA-N 1 0 263.385 1.929 20 10 CDCDRO CCOCc1cc(C[NH2+]C/C=C/CO)ccc1OC ZINC000850357505 850297627 /nfs/dbraw/zinc/29/76/27/850297627.db2.gz LTZXMKKLMKEVLK-SNAWJCMRSA-N 1 0 265.353 1.870 20 10 CDCDRO CCN(CC)c1ccc(CNC(=O)NCC[NH2+]C)cc1 ZINC000841718763 850301729 /nfs/dbraw/zinc/30/17/29/850301729.db2.gz AYVYUNYVFOAULU-UHFFFAOYSA-N 1 0 278.400 1.551 20 10 CDCDRO CN(CC[NH3+])Cc1cc(Br)ccc1O ZINC000234277778 850314779 /nfs/dbraw/zinc/31/47/79/850314779.db2.gz VFTDNWANXNDNFA-UHFFFAOYSA-N 1 0 259.147 1.545 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(F)ccc1O ZINC000834908897 850331738 /nfs/dbraw/zinc/33/17/38/850331738.db2.gz MQOMFVQOMMBREQ-LKFCYVNXSA-N 1 0 266.316 1.851 20 10 CDCDRO CC[N@H+](CC(=O)NCc1ccc(OC)cc1O)C1CC1 ZINC000794377547 850354857 /nfs/dbraw/zinc/35/48/57/850354857.db2.gz JWPHIUCHTSTCFK-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)CC[N@@H+]1C ZINC000841835986 850420524 /nfs/dbraw/zinc/42/05/24/850420524.db2.gz JMTSBUUWCWVOEE-IUODEOHRSA-N 1 0 290.411 1.593 20 10 CDCDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000183565658 850473762 /nfs/dbraw/zinc/47/37/62/850473762.db2.gz ISSFAFQMLVUMDI-MNOVXSKESA-N 1 0 271.382 1.866 20 10 CDCDRO CN1C(=O)NCC12CC[NH+](Cc1ccccc1O)CC2 ZINC000822529369 850475554 /nfs/dbraw/zinc/47/55/54/850475554.db2.gz DERXDAOCNKUPRF-UHFFFAOYSA-N 1 0 275.352 1.382 20 10 CDCDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)c1O ZINC001173747716 912785148 /nfs/dbraw/zinc/78/51/48/912785148.db2.gz CJVAADUFCVBSCH-KGLIPLIRSA-N 1 0 287.367 1.961 20 10 CDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(Cl)c(O)cc1O)C2 ZINC001235171286 914069523 /nfs/dbraw/zinc/06/95/23/914069523.db2.gz MWDUXEKNXVBQNR-TVQRCGJNSA-N 1 0 268.744 1.674 20 10 CDCDRO COc1cc(O)c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(Cl)c1 ZINC001235995606 914515983 /nfs/dbraw/zinc/51/59/83/914515983.db2.gz VKGAVGHBMSSVBK-LKFCYVNXSA-N 1 0 282.771 1.977 20 10 CDCDRO Cc1cc(O)c(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1Cl ZINC001236034106 914607357 /nfs/dbraw/zinc/60/73/57/914607357.db2.gz YYSOXPAVXXBWHT-GWCFXTLKSA-N 1 0 252.745 1.887 20 10 CDCDRO C[NH+]1CC2(C1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC001269608125 903971138 /nfs/dbraw/zinc/97/11/38/903971138.db2.gz VDBFCYSLJRFFIR-UHFFFAOYSA-N 1 0 276.336 1.266 20 10 CDCDRO C[N@@H+]1CCC2(CN(C(=O)CCc3ccc(O)c(O)c3)C2)C1 ZINC001271832712 906874331 /nfs/dbraw/zinc/87/43/31/906874331.db2.gz CLSXKFCUKVJQET-UHFFFAOYSA-N 1 0 290.363 1.195 20 10 CDCDRO C[C@@H]1C[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCO1 ZINC001168087897 906885005 /nfs/dbraw/zinc/88/50/05/906885005.db2.gz NVKLUGWPKGLFLX-MWLCHTKSSA-N 1 0 265.309 1.438 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1C[NH+](C)C1 ZINC001142596085 909548375 /nfs/dbraw/zinc/54/83/75/909548375.db2.gz ZSEOTSKXWGBWSX-UHFFFAOYSA-N 1 0 275.396 1.663 20 10 CDCDRO CCOc1cccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c1O ZINC001206404569 916056502 /nfs/dbraw/zinc/05/65/02/916056502.db2.gz MIQZLTFZELPQME-NEPJUHHUSA-N 1 0 268.332 1.662 20 10 CDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2c(O)ccc(F)c2F)C1 ZINC001206447414 916990609 /nfs/dbraw/zinc/99/06/09/916990609.db2.gz YBPOFISNHDGPNW-HTQZYQBOSA-N 1 0 260.259 1.542 20 10 CDCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499009 936543193 /nfs/dbraw/zinc/54/31/93/936543193.db2.gz SJRPJEPHLYPEJI-PBHICJAKSA-N 1 0 290.407 1.868 20 10 CDCDRO COc1cccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001203586118 919064892 /nfs/dbraw/zinc/06/48/92/919064892.db2.gz YOIRGMUNUHLQDX-QWRGUYRKSA-N 1 0 255.289 1.306 20 10 CDCDRO C[NH+]1CCN(c2ccc(CN3CCN(C#N)CC3)cc2)CC1 ZINC001139411625 936618025 /nfs/dbraw/zinc/61/80/25/936618025.db2.gz VPEJYDDFGUBMKZ-UHFFFAOYSA-N 1 0 299.422 1.037 20 10 CDCDRO C[N@H+](C1CN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CCOC1 ZINC001203664169 920565118 /nfs/dbraw/zinc/56/51/18/920565118.db2.gz PPWXQCONJUEPBR-CYBMUJFWSA-N 1 0 296.798 1.951 20 10 CDCDRO O=C1COC2(CC[NH+](Cc3cc(F)ccc3O)CC2)CN1 ZINC001140059195 936675127 /nfs/dbraw/zinc/67/51/27/936675127.db2.gz YEZGRDJHPHVTOJ-UHFFFAOYSA-N 1 0 294.326 1.012 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(Cl)cc2O)CCO1 ZINC001140462589 936712810 /nfs/dbraw/zinc/71/28/10/936712810.db2.gz IXTFGBFSLMAVMZ-CYBMUJFWSA-N 1 0 284.787 1.808 20 10 CDCDRO COC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140619977 936731706 /nfs/dbraw/zinc/73/17/06/936731706.db2.gz XKCQIVOZEXPXFX-BBRMVZONSA-N 1 0 291.347 1.322 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCc3ncn(C)c3C2)c1 ZINC001140624227 936732335 /nfs/dbraw/zinc/73/23/35/936732335.db2.gz LUOYXCBQYOTQKH-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO COC(=O)N1CCC[N@H+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140744157 936748995 /nfs/dbraw/zinc/74/89/95/936748995.db2.gz NLTJCRFDMISBHJ-UHFFFAOYSA-N 1 0 294.351 1.680 20 10 CDCDRO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c(O)c1 ZINC001140947677 936782330 /nfs/dbraw/zinc/78/23/30/936782330.db2.gz AGIHOIGTDBPZOZ-AAEUAGOBSA-N 1 0 253.317 1.853 20 10 CDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC000704339054 922869362 /nfs/dbraw/zinc/86/93/62/922869362.db2.gz IHGIBBXIFDQHJI-WCQYABFASA-N 1 0 262.353 1.972 20 10 CDCDRO CNC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143362 936819358 /nfs/dbraw/zinc/81/93/58/936819358.db2.gz WBZFEERLYKKMII-UHFFFAOYSA-N 1 0 277.368 1.083 20 10 CDCDRO C[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)[C@@H]1CO ZINC001141156756 936821443 /nfs/dbraw/zinc/82/14/43/936821443.db2.gz UDWJUORWYSZTGM-GXFFZTMASA-N 1 0 251.326 1.691 20 10 CDCDRO O=C1NCC[C@]12CCC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141157034 936821468 /nfs/dbraw/zinc/82/14/68/936821468.db2.gz AVZGCUDHPJEINF-HNNXBMFYSA-N 1 0 276.336 1.200 20 10 CDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)[C@H]1C ZINC001141159961 936822291 /nfs/dbraw/zinc/82/22/91/936822291.db2.gz NJMVRRNJXVBLDT-GWCFXTLKSA-N 1 0 279.336 1.871 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](O)[C@H](F)CC3)ccc21 ZINC001141141378 936818963 /nfs/dbraw/zinc/81/89/63/936818963.db2.gz XTVXLWCGTLWOIM-UKRRQHHQSA-N 1 0 294.370 1.810 20 10 CDCDRO CC(C)(O)CC[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162471 936823559 /nfs/dbraw/zinc/82/35/59/936823559.db2.gz SVOSITROIIBWQT-UHFFFAOYSA-N 1 0 294.395 1.376 20 10 CDCDRO COc1cc(CN2C[C@H](C)CC[C@H]2C[NH3+])cc(O)c1O ZINC001205804940 925153047 /nfs/dbraw/zinc/15/30/47/925153047.db2.gz OYAKRIXUAJNTDU-PWSUYJOCSA-N 1 0 280.368 1.666 20 10 CDCDRO CCOC[C@H](O)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001252033846 926099525 /nfs/dbraw/zinc/09/95/25/926099525.db2.gz JGZIBMQPSWIDTM-MRXNPFEDSA-N 1 0 280.412 1.972 20 10 CDCDRO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1O ZINC001143103749 937120720 /nfs/dbraw/zinc/12/07/20/937120720.db2.gz JVLVXAQDSGFSDM-DZGCQCFKSA-N 1 0 293.407 1.865 20 10 CDCDRO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)C[C@@H](O)CO ZINC001143105226 937120763 /nfs/dbraw/zinc/12/07/63/937120763.db2.gz NJOGYNVUNLJPMR-GFCCVEGCSA-N 1 0 267.369 1.475 20 10 CDCDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(O)c(O)c1 ZINC001168984322 927573301 /nfs/dbraw/zinc/57/33/01/927573301.db2.gz LYWRNZWHXLWDDE-MWLCHTKSSA-N 1 0 294.307 1.316 20 10 CDCDRO CN1CCO[C@]2(CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001275267346 931719121 /nfs/dbraw/zinc/71/91/21/931719121.db2.gz MAGWAFHZXJIFGB-MRXNPFEDSA-N 1 0 276.380 1.689 20 10 CDCDRO Oc1cc(O)c(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)c1 ZINC001144500426 931860162 /nfs/dbraw/zinc/86/01/62/931860162.db2.gz TZEFVPBHCVLRDK-QWRGUYRKSA-N 1 0 271.288 1.098 20 10 CDCDRO O=C1CC[N@H+](Cc2c(O)cc(O)cc2O)CC[C@H]1F ZINC001144503858 931864149 /nfs/dbraw/zinc/86/41/49/931864149.db2.gz GFTMAPFWMPWDKY-SNVBAGLBSA-N 1 0 269.272 1.306 20 10 CDCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)[C@@H](C)C(=O)OC ZINC001144520656 931871449 /nfs/dbraw/zinc/87/14/49/931871449.db2.gz XVDXPMRFPJCYLB-QMMMGPOBSA-N 1 0 269.297 1.187 20 10 CDCDRO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(O)cc2O)n1 ZINC001144514831 931876632 /nfs/dbraw/zinc/87/66/32/931876632.db2.gz UFTVVNYIEABOOB-NSHDSACASA-N 1 0 291.307 1.832 20 10 CDCDRO CN1CCC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144516422 931880903 /nfs/dbraw/zinc/88/09/03/931880903.db2.gz YDHLDOKYXMEHFH-GWCFXTLKSA-N 1 0 278.352 1.329 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 ZINC001118179126 937598986 /nfs/dbraw/zinc/59/89/86/937598986.db2.gz LGOLNLZORSJZKG-YOEHRIQHSA-N 1 0 289.423 1.835 20 10 CDCDRO Cc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)c1O ZINC001276080484 932497006 /nfs/dbraw/zinc/49/70/06/932497006.db2.gz PHVRZVGNIMGGCF-OKILXGFUSA-N 1 0 262.353 1.215 20 10 CDCDRO C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC001155891758 937685800 /nfs/dbraw/zinc/68/58/00/937685800.db2.gz FHVYXXMJXIMPIC-SKDRFNHKSA-N 1 0 289.339 1.671 20 10 CDCDRO CCc1cccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1O ZINC000692128380 934548152 /nfs/dbraw/zinc/54/81/52/934548152.db2.gz BVLBHFKQMMWSHX-HNNXBMFYSA-N 1 0 262.353 1.652 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)NCC2([NH3+])CC2)cc1 ZINC001120578174 937813042 /nfs/dbraw/zinc/81/30/42/937813042.db2.gz UPWMUBDQLQNMSB-UHFFFAOYSA-N 1 0 276.384 1.385 20 10 CDCDRO COc1ccc(C[NH2+]CCNC(=O)c2ccc[nH]2)cc1C ZINC001123453282 936163478 /nfs/dbraw/zinc/16/34/78/936163478.db2.gz MKGZQAWIHCHIRB-UHFFFAOYSA-N 1 0 287.363 1.851 20 10 CDCDRO CN(C)c1ccc(CN(C)c2cc(C3C[NH2+]C3)ncn2)cc1 ZINC001156928140 938435236 /nfs/dbraw/zinc/43/52/36/938435236.db2.gz MEAPOAFGUBHQEY-UHFFFAOYSA-N 1 0 297.406 1.866 20 10 CDCDRO COc1cccc(C[NH+]2CC3(CSC3)C2)c1O ZINC001203601933 939695644 /nfs/dbraw/zinc/69/56/44/939695644.db2.gz ROEQFHHITHRLHC-UHFFFAOYSA-N 1 0 251.351 1.950 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1O ZINC001203602208 939696278 /nfs/dbraw/zinc/69/62/78/939696278.db2.gz INHHFVLZTBMYHK-AAEUAGOBSA-N 1 0 265.353 1.994 20 10 CDCDRO COc1ccc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c(O)c1 ZINC001203620957 939696966 /nfs/dbraw/zinc/69/69/66/939696966.db2.gz KVXZTAXADHVLLS-ZYHUDNBSSA-N 1 0 269.316 1.553 20 10 CDCDRO CN1CCC2(C[NH+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001203665837 939700080 /nfs/dbraw/zinc/70/00/80/939700080.db2.gz XLHDYAXZQQTUMI-UHFFFAOYSA-N 1 0 280.755 1.710 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c1 ZINC001203670473 939700564 /nfs/dbraw/zinc/70/05/64/939700564.db2.gz RVDAQZWCSIGHOH-BXUZGUMPSA-N 1 0 265.353 1.994 20 10 CDCDRO Oc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)cc1O ZINC001203875983 939710546 /nfs/dbraw/zinc/71/05/46/939710546.db2.gz ZOQALNBVZZWGPG-GHMZBOCLSA-N 1 0 255.289 1.393 20 10 CDCDRO COCC[NH+](CCOC)Cc1ccc(O)cc1O ZINC001204272831 939749975 /nfs/dbraw/zinc/74/99/75/939749975.db2.gz TXDLPTMPSCCVQP-UHFFFAOYSA-N 1 0 255.314 1.193 20 10 CDCDRO C[NH2+]C1CN(Cc2cc(C)c(Br)cc2O)C1 ZINC001204714122 939786413 /nfs/dbraw/zinc/78/64/13/939786413.db2.gz KZCLYKDPTYJOSS-UHFFFAOYSA-N 1 0 285.185 1.867 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)c(Cl)c1 ZINC001205197418 939834736 /nfs/dbraw/zinc/83/47/36/939834736.db2.gz OFCOUGRFEIGUAJ-PRHODGIISA-N 1 0 270.760 1.976 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC[C@H]1C[NH3+] ZINC001205636135 939911264 /nfs/dbraw/zinc/91/12/64/939911264.db2.gz CNFOLDORPONQJZ-YPMHNXCESA-N 1 0 292.379 1.897 20 10 CDCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2cc(O)c(O)c(O)c2)C1 ZINC001205838180 939943539 /nfs/dbraw/zinc/94/35/39/939943539.db2.gz BBPFQXZCNZKTLU-GXSJLCMTSA-N 1 0 266.341 1.363 20 10 CDCDRO Cc1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206132296 939984592 /nfs/dbraw/zinc/98/45/92/939984592.db2.gz NXUGNSCUIVEKPO-NSHDSACASA-N 1 0 256.296 1.869 20 10 CDCDRO C[C@@H](Cc1cccnc1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258609740 945357822 /nfs/dbraw/zinc/35/78/22/945357822.db2.gz UAOICXHPLKBZPD-ZBEGNZNMSA-N 1 0 288.347 1.747 20 10 CDCDRO CCOc1cccc(CN2CC[C@@](C)([NH3+])C2)c1O ZINC000405861079 940999339 /nfs/dbraw/zinc/99/93/39/940999339.db2.gz IQKXMPVKWSIVBE-CQSZACIVSA-N 1 0 250.342 1.714 20 10 CDCDRO CCOc1cccc(CN2CC[C@](C)([NH3+])C2)c1O ZINC000405861071 940999356 /nfs/dbraw/zinc/99/93/56/940999356.db2.gz IQKXMPVKWSIVBE-AWEZNQCLSA-N 1 0 250.342 1.714 20 10 CDCDRO C[C@H]1C[NH2+]C[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001219642134 941368193 /nfs/dbraw/zinc/36/81/93/941368193.db2.gz PFPBIRWVQWAAFX-QIPCVNDGSA-N 1 0 290.363 1.473 20 10 CDCDRO COc1ccc(N2CC3(C2)CC[N@H+](C)C3)c(OC)c1 ZINC001276993827 941787812 /nfs/dbraw/zinc/78/78/12/941787812.db2.gz FGXZGWAAVZUEGF-UHFFFAOYSA-N 1 0 262.353 1.846 20 10 CDCDRO CN1CCC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]21 ZINC001231454284 942898323 /nfs/dbraw/zinc/89/83/23/942898323.db2.gz PKKYFEHSPRLIAD-JSGCOSHPSA-N 1 0 290.363 1.616 20 10 CDCDRO Cc1cccc(C[NH+]2CCN(CCCO)CC2)c1O ZINC001231591480 942938309 /nfs/dbraw/zinc/93/83/09/942938309.db2.gz DIQNHONPGMTLOW-UHFFFAOYSA-N 1 0 264.369 1.201 20 10 CDCDRO CO[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2O)C[C@@H]1OC ZINC001231842063 943026415 /nfs/dbraw/zinc/02/64/15/943026415.db2.gz JAMHONGDNNXIEQ-GASCZTMLSA-N 1 0 265.353 1.855 20 10 CDCDRO COC[C@H]1COCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231850823 943029657 /nfs/dbraw/zinc/02/96/57/943029657.db2.gz VEOBOXKKOCQXDL-ZDUSSCGKSA-N 1 0 265.353 1.856 20 10 CDCDRO Oc1cc(O)c(C[NH+]2CCC(O)CC2)cc1Cl ZINC001232257348 943191304 /nfs/dbraw/zinc/19/13/04/943191304.db2.gz BGKLQHGPXCLERK-UHFFFAOYSA-N 1 0 257.717 1.708 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CO)C2)cc1Cl ZINC001232264212 943195031 /nfs/dbraw/zinc/19/50/31/943195031.db2.gz GBIRBQHPWDRZLM-VIFPVBQESA-N 1 0 271.744 1.868 20 10 CDCDRO CCOC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232840072 943416228 /nfs/dbraw/zinc/41/62/28/943416228.db2.gz LVCFIUNBKNRKCP-UHFFFAOYSA-N 1 0 280.368 1.843 20 10 CDCDRO C[NH+](C)C1CCN(Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233009790 943460716 /nfs/dbraw/zinc/46/07/16/943460716.db2.gz AVPAHASONIGOHN-UHFFFAOYSA-N 1 0 266.341 1.329 20 10 CDCDRO Oc1cc(C[NH+]2CCC(CF)CC2)cc(O)c1O ZINC001233012553 943461687 /nfs/dbraw/zinc/46/16/87/943461687.db2.gz JYHPJQUDPYUNBC-UHFFFAOYSA-N 1 0 255.289 1.985 20 10 CDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C[C@@]1(C)O ZINC001233483375 943593113 /nfs/dbraw/zinc/59/31/13/943593113.db2.gz XPBNQXLYQKUPHY-YMTOWFKASA-N 1 0 267.325 1.396 20 10 CDCDRO C[N@H+](CCc1cccnc1)Cc1cc(O)c(O)cc1O ZINC001233485747 943594623 /nfs/dbraw/zinc/59/46/23/943594623.db2.gz JLSIOWBBOPHAOQ-UHFFFAOYSA-N 1 0 274.320 1.873 20 10 CDCDRO CCCN(CCC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233487277 943595220 /nfs/dbraw/zinc/59/52/20/943595220.db2.gz XJJZUTBVTXARPU-UHFFFAOYSA-N 1 0 282.384 1.967 20 10 CDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233486788 943596207 /nfs/dbraw/zinc/59/62/07/943596207.db2.gz BVAYUEDYULLLGN-SECBINFHSA-N 1 0 251.282 1.214 20 10 CDCDRO Oc1cc(O)c(CN2CCCC[C@@]23CC[NH2+]C3)cc1O ZINC001235116855 944059411 /nfs/dbraw/zinc/05/94/11/944059411.db2.gz HPHFEWRBEKIMEI-HNNXBMFYSA-N 1 0 278.352 1.521 20 10 CDCDRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001236023246 944379673 /nfs/dbraw/zinc/37/96/73/944379673.db2.gz FXMDUKGYLDFQTF-BBRMVZONSA-N 1 0 291.370 1.195 20 10 CDCDRO CN(Cc1ccc2c(c1)OCCN2C)C[C@@H]1CCC[NH2+]1 ZINC001236120494 944409748 /nfs/dbraw/zinc/40/97/48/944409748.db2.gz SNOLOVMNZFESSA-AWEZNQCLSA-N 1 0 275.396 1.699 20 10 CDCDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(C)cc(C)cc1O ZINC001236202505 944430590 /nfs/dbraw/zinc/43/05/90/944430590.db2.gz USKADIWTGZUFRC-YPMHNXCESA-N 1 0 278.352 1.084 20 10 CDCDRO CCc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001236784304 944566007 /nfs/dbraw/zinc/56/60/07/944566007.db2.gz UKOLYWOHSRWYPY-JSGCOSHPSA-N 1 0 253.317 1.859 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)c1 ZINC001236808056 944574894 /nfs/dbraw/zinc/57/48/94/944574894.db2.gz LBQOQTGKTKPNTC-OAHLLOKOSA-N 1 0 265.353 1.914 20 10 CDCDRO COc1cc(C)c(C[N@@H+]2CC[C@H](O)[C@](C)(CO)C2)c(O)c1 ZINC001236807412 944576146 /nfs/dbraw/zinc/57/61/46/944576146.db2.gz GYFRPKVAJLQILV-HOTGVXAUSA-N 1 0 295.379 1.274 20 10 CDCDRO CCOc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001237044668 944643474 /nfs/dbraw/zinc/64/34/74/944643474.db2.gz MBXBKJMBZMHBCM-UHFFFAOYSA-N 1 0 263.337 1.748 20 10 CDCDRO COC(=O)[C@@H]1CN(Cc2ccc(C(C)C)cc2O)CCO1 ZINC001237045848 944645574 /nfs/dbraw/zinc/64/55/74/944645574.db2.gz LRZYYUIECMPPDE-HNNXBMFYSA-N 1 0 293.363 1.889 20 10 CDCDRO COc1cc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)c(OC)c1 ZINC001237674581 944916938 /nfs/dbraw/zinc/91/69/38/944916938.db2.gz JCAWYJTXUFWRHN-HNNXBMFYSA-N 1 0 281.352 1.614 20 10 CDCDRO COc1cc(C[N@H+]2CC[C@H](OC)C2)c(O)c(OC)c1 ZINC001237669881 944917823 /nfs/dbraw/zinc/91/78/23/944917823.db2.gz PMVQFYCQYWGOTO-NSHDSACASA-N 1 0 267.325 1.630 20 10 CDCDRO COc1cc(C[N@@H+]2CCC3(COC3)C2)c(O)c(OC)c1 ZINC001237671197 944918948 /nfs/dbraw/zinc/91/89/48/944918948.db2.gz ZSCZGBHBRZZYIJ-UHFFFAOYSA-N 1 0 279.336 1.632 20 10 CDCDRO COc1cc(CN(C)Cc2ccncn2)c(O)c(OC)c1 ZINC001237686086 944926672 /nfs/dbraw/zinc/92/66/72/944926672.db2.gz XECSEWSTKZNQKD-UHFFFAOYSA-N 1 0 289.335 1.831 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+]CCN2CCC2)cc1F ZINC001261787905 946279195 /nfs/dbraw/zinc/27/91/95/946279195.db2.gz FFOGWEZJJFZWEO-UHFFFAOYSA-N 1 0 269.339 1.826 20 10 CDCDRO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)n1ccnc1 ZINC001262338415 946592217 /nfs/dbraw/zinc/59/22/17/946592217.db2.gz PPRZNNWASQAQCN-NSHDSACASA-N 1 0 294.351 1.952 20 10 CDCDRO C[C@@H]1CC([NH2+]CCc2cc(O)c(O)cc2O)C[C@@H](C)O1 ZINC001257074933 948519681 /nfs/dbraw/zinc/51/96/81/948519681.db2.gz WRJXEVBLQPFYNH-NXEZZACHSA-N 1 0 281.352 1.892 20 10 CDCDRO CC[N@H+](CCN(C)C)Cc1ccc(CC(=O)OC)cc1O ZINC001249171732 949433213 /nfs/dbraw/zinc/43/32/13/949433213.db2.gz FHIXRXQRCZFDPM-UHFFFAOYSA-N 1 0 294.395 1.491 20 10 CDCDRO Nc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC001335680769 959969554 /nfs/dbraw/zinc/96/95/54/959969554.db2.gz ZHUMHDBHPCFNOF-DGCLKSJQSA-N 1 0 262.357 1.195 20 10 CDCDRO Cn1cnc(/C=C/C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC001343685818 964096420 /nfs/dbraw/zinc/09/64/20/964096420.db2.gz HUELEEDEGLIHEJ-YBJDMEARSA-N 1 0 282.347 1.350 20 10 CDCDRO C[N@H+](CC(=O)NCc1cccc(O)c1O)[C@H]1CCSC1 ZINC001347233087 965432548 /nfs/dbraw/zinc/43/25/48/965432548.db2.gz FJBFQPFLLGACFG-NSHDSACASA-N 1 0 296.392 1.151 20 10 CDCDRO COc1ccc(C[NH2+]Cc2ccn(C)n2)c(O)c1OC ZINC001352012679 967058363 /nfs/dbraw/zinc/05/83/63/967058363.db2.gz XCQAVWMAGSQSBM-UHFFFAOYSA-N 1 0 277.324 1.433 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC001356548958 969424486 /nfs/dbraw/zinc/42/44/86/969424486.db2.gz XADDXULJSPSDSV-CQSZACIVSA-N 1 0 290.411 1.633 20 10 CDCDRO CN(C)c1ccc(CNC(=O)CC(C)(C)C[NH3+])cc1F ZINC001521463072 970299238 /nfs/dbraw/zinc/29/92/38/970299238.db2.gz JJSXJJWPGGEDDR-UHFFFAOYSA-N 1 0 281.375 1.883 20 10 CDCDRO C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(C(=O)[O-])ccc1O ZINC001593230755 994366152 /nfs/dbraw/zinc/36/61/52/994366152.db2.gz FOFASISCDHEPPM-VIFPVBQESA-N 1 0 264.325 1.493 20 10 CDCDRO C[C@H](CNC(=O)c1cccc(O)c1O)C[NH+](C)C ZINC000293735601 356075904 /nfs/dbraw/zinc/07/59/04/356075904.db2.gz KZEMALQMYHHNPJ-SECBINFHSA-N 1 0 252.314 1.025 20 10 CDCDRO COCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551043 356547497 /nfs/dbraw/zinc/54/74/97/356547497.db2.gz ZHIREPSNSCRSLT-GFCCVEGCSA-N 1 0 282.359 1.959 20 10 CDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000188046445 357838740 /nfs/dbraw/zinc/83/87/40/357838740.db2.gz MDABJXNPXKNPQK-VIFPVBQESA-N 1 0 254.305 1.488 20 10 CDCDRO COCCC[N@H+](CCO)Cc1cc(OC)ccc1O ZINC000188925768 357952452 /nfs/dbraw/zinc/95/24/52/357952452.db2.gz ALNHONCHFULQMU-UHFFFAOYSA-N 1 0 269.341 1.232 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]23CCOC3=O)c1 ZINC000190043838 358050631 /nfs/dbraw/zinc/05/06/31/358050631.db2.gz AGKUMGXASHRBEG-OAHLLOKOSA-N 1 0 261.321 1.982 20 10 CDCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000092096412 358537455 /nfs/dbraw/zinc/53/74/55/358537455.db2.gz DNBHLMKNHNCJEZ-AWEZNQCLSA-N 1 0 261.369 1.463 20 10 CDCDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297150128 200098388 /nfs/dbraw/zinc/09/83/88/200098388.db2.gz ZWWRUDKUHYXYRE-GFCCVEGCSA-N 1 0 298.408 1.297 20 10 CDCDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCSC2)cc1C ZINC000267009476 363710981 /nfs/dbraw/zinc/71/09/81/363710981.db2.gz GGPDPCIGOHNVNI-CQSZACIVSA-N 1 0 267.394 1.967 20 10 CDCDRO CCC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000226251598 360363025 /nfs/dbraw/zinc/36/30/25/360363025.db2.gz IDRPDMMCZUCETE-CQSZACIVSA-N 1 0 267.325 1.762 20 10 CDCDRO COc1cccc(C[NH+]2CCC(CO)CC2)c1O ZINC000127079218 360589961 /nfs/dbraw/zinc/58/99/61/360589961.db2.gz HFLXDDCQWBZOQN-UHFFFAOYSA-N 1 0 251.326 1.605 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000281820630 363845728 /nfs/dbraw/zinc/84/57/28/363845728.db2.gz RBXGRTJSJGWINI-SFHVURJKSA-N 1 0 269.366 1.402 20 10 CDCDRO COCC1(O)CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000271743163 364996462 /nfs/dbraw/zinc/99/64/62/364996462.db2.gz AJNBSCOFLWRRHJ-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1O ZINC000272028143 365052093 /nfs/dbraw/zinc/05/20/93/365052093.db2.gz YFOJQEQJGZDGNF-IINYFYTJSA-N 1 0 251.326 1.604 20 10 CDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)Cn1cccn1 ZINC000171638412 365343281 /nfs/dbraw/zinc/34/32/81/365343281.db2.gz QPABCVPDKFQCDJ-OAHLLOKOSA-N 1 0 289.379 1.862 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000273441227 365497198 /nfs/dbraw/zinc/49/71/98/365497198.db2.gz YJKUEGZEVPUGLN-ZJUUUORDSA-N 1 0 267.325 1.458 20 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SHTWDSHYGWYRLH-UHFFFAOYSA-N 1 0 278.352 1.620 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC000168182234 391276163 /nfs/dbraw/zinc/27/61/63/391276163.db2.gz FVYSBMCRWXJYIB-MGNBDDOMSA-N 1 0 271.382 1.648 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC2([S@@](C)=O)CC2)cc1OC ZINC000281910378 391423456 /nfs/dbraw/zinc/42/34/56/391423456.db2.gz ZYPNUPPPHPMESZ-HXUWFJFHSA-N 1 0 299.392 1.410 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000372653395 391860482 /nfs/dbraw/zinc/86/04/82/391860482.db2.gz YELONYYVYNAIFU-JSGCOSHPSA-N 1 0 252.333 1.657 20 10 CDCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccccc1O ZINC000296540040 286840275 /nfs/dbraw/zinc/84/02/75/286840275.db2.gz QWZBSWOEURSSRN-MNOVXSKESA-N 1 0 286.397 1.371 20 10 CDCDRO C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000036932695 260052497 /nfs/dbraw/zinc/05/24/97/260052497.db2.gz MTLIBRGVRGRDLN-CQSZACIVSA-N 1 0 277.412 1.563 20 10 CDCDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000155651737 261105436 /nfs/dbraw/zinc/10/54/36/261105436.db2.gz IAUFGDWCSUCWBM-CYBMUJFWSA-N 1 0 262.353 1.740 20 10 CDCDRO C[C@@H]([NH2+]CCOCCO)c1cc(Cl)ccc1O ZINC000184886683 262032557 /nfs/dbraw/zinc/03/25/57/262032557.db2.gz HHMDBVKLSRJSEJ-SECBINFHSA-N 1 0 259.733 1.705 20 10 CDCDRO COCC[NH+](CCOC)Cc1cc2c(cc1O)OCO2 ZINC000147453009 263811684 /nfs/dbraw/zinc/81/16/84/263811684.db2.gz YDFXMDCKANKDBS-UHFFFAOYSA-N 1 0 283.324 1.216 20 10 CDCDRO COc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000195006876 277917506 /nfs/dbraw/zinc/91/75/06/277917506.db2.gz BGWABKITWHHUSW-RNCFNFMXSA-N 1 0 264.325 1.015 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c(O)c1 ZINC000278681556 327183891 /nfs/dbraw/zinc/18/38/91/327183891.db2.gz GJMZUVSBLACKKG-SLEUVZQESA-N 1 0 265.353 1.891 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000191806011 533953105 /nfs/dbraw/zinc/95/31/05/533953105.db2.gz DJHIGXLYCONGHB-QMMMGPOBSA-N 1 0 286.759 1.621 20 10 CDCDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)COC1 ZINC000112711697 520732765 /nfs/dbraw/zinc/73/27/65/520732765.db2.gz QEZVSYGGMBPTIA-UHFFFAOYSA-N 1 0 294.370 1.788 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1 ZINC000035247185 520905367 /nfs/dbraw/zinc/90/53/67/520905367.db2.gz BUPMERGKYQOSHY-UHFFFAOYSA-N 1 0 275.396 1.901 20 10 CDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[NH2+]C1 ZINC000236733150 521689446 /nfs/dbraw/zinc/68/94/46/521689446.db2.gz YABHITFBHPCIMW-LBPRGKRZSA-N 1 0 262.353 1.740 20 10 CDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000036794589 521745486 /nfs/dbraw/zinc/74/54/86/521745486.db2.gz NQYYEQCGJHOUBH-VIFPVBQESA-N 1 0 252.314 1.015 20 10 CDCDRO CC[C@H]([NH2+]CC[C@@H](O)COC)c1ccccc1O ZINC000156986760 522596104 /nfs/dbraw/zinc/59/61/04/522596104.db2.gz AYGOYPXRRFWQIT-YPMHNXCESA-N 1 0 253.342 1.830 20 10 CDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000290305195 524009716 /nfs/dbraw/zinc/00/97/16/524009716.db2.gz ZEMAVTXOHHCWRO-OSMZGAPFSA-N 1 0 251.326 1.765 20 10 CDCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000291959452 524099997 /nfs/dbraw/zinc/09/99/97/524099997.db2.gz RRJAHYDJCUDXTN-SFYZADRCSA-N 1 0 256.733 1.831 20 10 CDCDRO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)C[NH+]1CCCC1 ZINC000276642410 524455099 /nfs/dbraw/zinc/45/50/99/524455099.db2.gz VBXWWDXSRZOPGE-SNVBAGLBSA-N 1 0 296.342 1.699 20 10 CDCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000131016413 524672455 /nfs/dbraw/zinc/67/24/55/524672455.db2.gz TVAOGNJOCVOOGP-AYLIAGHASA-N 1 0 285.365 1.320 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)CCCCCO)c1 ZINC000279461358 524732645 /nfs/dbraw/zinc/73/26/45/524732645.db2.gz RBQNVFJDCZFDRH-UHFFFAOYSA-N 1 0 253.342 1.995 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)c1 ZINC000277588880 525345275 /nfs/dbraw/zinc/34/52/75/525345275.db2.gz UQUXAIGDQYQMCE-XIKOKIGWSA-N 1 0 267.394 1.901 20 10 CDCDRO COc1cccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000279665120 525951734 /nfs/dbraw/zinc/95/17/34/525951734.db2.gz MLENHROYFCDVBM-BLLLJJGKSA-N 1 0 293.363 1.781 20 10 CDCDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000237509547 526248493 /nfs/dbraw/zinc/24/84/93/526248493.db2.gz JILCEFFORSYIRB-ZDUSSCGKSA-N 1 0 275.396 1.802 20 10 CDCDRO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000262512256 526265071 /nfs/dbraw/zinc/26/50/71/526265071.db2.gz OVSYMJGJGHPVHY-UHFFFAOYSA-N 1 0 298.390 1.971 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCCn1ccnc1)OCO2 ZINC000042879650 526336076 /nfs/dbraw/zinc/33/60/76/526336076.db2.gz WFGYOABRXXJNFD-UHFFFAOYSA-N 1 0 275.308 1.497 20 10 CDCDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccc1 ZINC000063000771 527608847 /nfs/dbraw/zinc/60/88/47/527608847.db2.gz XRNPBMAQUKGLQT-ZDUSSCGKSA-N 1 0 287.315 1.944 20 10 CDCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccccc1O ZINC000727082854 574549056 /nfs/dbraw/zinc/54/90/56/574549056.db2.gz VGIILYQOQZBRNW-UHFFFAOYSA-N 1 0 295.452 1.944 20 10 CDCDRO CN(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770394978 575445090 /nfs/dbraw/zinc/44/50/90/575445090.db2.gz OHZASDKXAPXTDX-BETUJISGSA-N 1 0 263.360 1.543 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CCCO1 ZINC000768441724 576283108 /nfs/dbraw/zinc/28/31/08/576283108.db2.gz GYOTXGOUFBNGBZ-SWLSCSKDSA-N 1 0 293.363 1.819 20 10 CDCDRO COc1cc(C[N@@H+]2CCCOCC2)c(O)cc1C ZINC000768443273 576283691 /nfs/dbraw/zinc/28/36/91/576283691.db2.gz CSWRTURXSCQZSS-UHFFFAOYSA-N 1 0 251.326 1.932 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c(O)c1 ZINC000768460732 576286554 /nfs/dbraw/zinc/28/65/54/576286554.db2.gz OIDXKAVRAQXASQ-LBPRGKRZSA-N 1 0 279.336 1.786 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)C)c(O)c1C ZINC000756554806 576995433 /nfs/dbraw/zinc/99/54/33/576995433.db2.gz JEMUODOSNHXXPQ-STQMWFEESA-N 1 0 266.385 1.582 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnnn1C ZINC000751146283 577027372 /nfs/dbraw/zinc/02/73/72/577027372.db2.gz CIHVDGPIBFWWSA-UHFFFAOYSA-N 1 0 259.357 1.479 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892475445 617403568 /nfs/dbraw/zinc/40/35/68/617403568.db2.gz HSSITCBEJYKRTH-TZMCWYRMSA-N 1 0 296.436 1.665 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)CCO)c(O)c1OC ZINC000893004850 618043758 /nfs/dbraw/zinc/04/37/58/618043758.db2.gz MZNQNGFARINRIM-VIFPVBQESA-N 1 0 255.314 1.270 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCOC[C@@H]1C ZINC000840937479 617612573 /nfs/dbraw/zinc/61/25/73/617612573.db2.gz UWBUQNIJHYUJOZ-HNNXBMFYSA-N 1 0 291.439 1.871 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000840938414 617615684 /nfs/dbraw/zinc/61/56/84/617615684.db2.gz DSGCYNXWVKWLAZ-KRWDZBQOSA-N 1 0 289.423 1.577 20 10 CDCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892307332 617735774 /nfs/dbraw/zinc/73/57/74/617735774.db2.gz XVJAURAWMMZYKO-JOYOIKCWSA-N 1 0 261.325 1.168 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000840964169 617849964 /nfs/dbraw/zinc/84/99/64/617849964.db2.gz JRYRBUTYAMNSOI-UHFFFAOYSA-N 1 0 299.392 1.458 20 10 CDCDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000840980438 617993676 /nfs/dbraw/zinc/99/36/76/617993676.db2.gz ZXKXEIREFWYUJG-GHMZBOCLSA-N 1 0 279.336 1.714 20 10 CDCDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000892430337 618192290 /nfs/dbraw/zinc/19/22/90/618192290.db2.gz HIIYYJGHWJEZNG-AULYBMBSSA-N 1 0 289.379 1.935 20 10 CDCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503793 618547997 /nfs/dbraw/zinc/54/79/97/618547997.db2.gz LNFPQJZKKBUYEP-ZDUSSCGKSA-N 1 0 276.315 1.960 20 10 CDCDRO COc1ccc(C[NH2+][C@H](C)COC(C)=O)c(O)c1 ZINC000894186780 618675160 /nfs/dbraw/zinc/67/51/60/618675160.db2.gz YVQZNFRXMNANLI-SECBINFHSA-N 1 0 253.298 1.442 20 10 CDCDRO Cc1cc(O)c(CN2CCO[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000843057546 618691203 /nfs/dbraw/zinc/69/12/03/618691203.db2.gz JOQXPUUAZIXDEN-WFASDCNBSA-N 1 0 264.369 1.557 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)COCC(C)C)c1O ZINC000894203865 618696666 /nfs/dbraw/zinc/69/66/66/618696666.db2.gz WNNXKCNJWJBGEQ-CQSZACIVSA-N 1 0 297.395 1.832 20 10 CDCDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000841831778 618698677 /nfs/dbraw/zinc/69/86/77/618698677.db2.gz FBNQAUFGUHCQIT-GFCCVEGCSA-N 1 0 274.368 1.209 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCCO)c1O ZINC000894352185 618811714 /nfs/dbraw/zinc/81/17/14/618811714.db2.gz LFBYFDXVOARDEM-NSHDSACASA-N 1 0 253.342 1.960 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2COCO2)c1O ZINC000894879031 619115732 /nfs/dbraw/zinc/11/57/32/619115732.db2.gz OWJHYWWQEDPCEB-JTQLQIEISA-N 1 0 273.716 1.517 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H]2COCO2)c1O ZINC000894886166 619122314 /nfs/dbraw/zinc/12/23/14/619122314.db2.gz CISNLLAUNNZHBL-NSHDSACASA-N 1 0 253.298 1.172 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN(C)CC(F)F)c1O ZINC000895416088 619649694 /nfs/dbraw/zinc/64/96/94/619649694.db2.gz QUTZBJGYGLZRST-UHFFFAOYSA-N 1 0 288.338 1.996 20 10 CDCDRO CCOc1cccc(C[N@H+](CC)CCC(N)=O)c1O ZINC000896715850 620211276 /nfs/dbraw/zinc/21/12/76/620211276.db2.gz YWUGTGPQKBGFKY-UHFFFAOYSA-N 1 0 266.341 1.488 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CC[C@H](O)C2CC2)c1O ZINC000898194593 621390166 /nfs/dbraw/zinc/39/01/66/621390166.db2.gz KVRBVGRUKHWQQA-ZDUSSCGKSA-N 1 0 265.353 1.960 20 10 CDCDRO COC(=O)[C@H](C)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000035133359 1165743477 /nfs/dbraw/zinc/74/34/77/1165743477.db2.gz SXOGMKWYFYBOQV-CYBMUJFWSA-N 1 0 292.379 1.626 20 10 CDCDRO C[C@H]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C[NH2+]1 ZINC001576667187 1171483806 /nfs/dbraw/zinc/48/38/06/1171483806.db2.gz SGWFAJCIIRVONS-VHSXEESVSA-N 1 0 281.331 1.471 20 10 CDCDRO COC(=O)c1cccc2c1CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001578877781 1172033988 /nfs/dbraw/zinc/03/39/88/1172033988.db2.gz KSPDSMMKGIKIQH-LLVKDONJSA-N 1 0 286.331 1.410 20 10 CDCDRO COc1cc(C)cc(CN[C@@H]2C[NH2+]CC2(C)C)c1O ZINC001579144255 1172105903 /nfs/dbraw/zinc/10/59/03/1172105903.db2.gz ALOZFYBZIFIAAK-CYBMUJFWSA-N 1 0 264.369 1.797 20 10 CDCDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(O)c2)C1 ZINC001580207534 1172374557 /nfs/dbraw/zinc/37/45/57/1172374557.db2.gz VPAZNFROTHOIQZ-GJBLVYBDSA-N 1 0 295.342 1.717 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC(=O)N(C)C)c1 ZINC000160414870 1178414062 /nfs/dbraw/zinc/41/40/62/1178414062.db2.gz UQNNUSWZLNAHJR-SNVBAGLBSA-N 1 0 282.340 1.750 20 10 CDCDRO C[NH2+]CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817939278 710703238 /nfs/dbraw/zinc/70/32/38/710703238.db2.gz BVUMMJCUDWNTFD-VIFPVBQESA-N 1 0 253.302 1.561 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2OC)c1 ZINC000839193580 705360887 /nfs/dbraw/zinc/36/08/87/705360887.db2.gz SXJMEWMJHFMENO-OCCSQVGLSA-N 1 0 267.325 1.294 20 10 CDCDRO C[C@H](CC[NH3+])NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882718 705449977 /nfs/dbraw/zinc/44/99/77/705449977.db2.gz NJCBQVDGNIZCFT-NEPJUHHUSA-N 1 0 278.400 1.850 20 10 CDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000092955701 705490743 /nfs/dbraw/zinc/49/07/43/705490743.db2.gz TZCLZKNGTREQPG-BXUZGUMPSA-N 1 0 261.369 1.367 20 10 CDCDRO CN(C)c1ccc(Cn2cc(CC[NH+](C)C)nn2)cc1 ZINC000881270826 705511593 /nfs/dbraw/zinc/51/15/93/705511593.db2.gz AZUCNGLKIYUHBG-UHFFFAOYSA-N 1 0 273.384 1.497 20 10 CDCDRO C[NH+](C)C[C@](C)(O)CNCc1ccc2c(c1)CCCO2 ZINC000921930209 705527995 /nfs/dbraw/zinc/52/79/95/705527995.db2.gz IIZNOYWGKIEAND-MRXNPFEDSA-N 1 0 278.396 1.414 20 10 CDCDRO CCCNC(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000071408734 705552975 /nfs/dbraw/zinc/55/29/75/705552975.db2.gz HLEWWBHVOTXSIA-UHFFFAOYSA-N 1 0 250.342 1.707 20 10 CDCDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[NH+]1CCCCC1 ZINC000825505537 705559577 /nfs/dbraw/zinc/55/95/77/705559577.db2.gz KUDWYWDHNVZJGX-JTQLQIEISA-N 1 0 296.342 1.841 20 10 CDCDRO COc1ccc(O)c(C[NH+]2CCC(NC(C)=O)CC2)c1 ZINC000135749031 705571336 /nfs/dbraw/zinc/57/13/36/705571336.db2.gz KFYYYPDRULHFED-UHFFFAOYSA-N 1 0 278.352 1.501 20 10 CDCDRO COc1ccc(CNC(=O)CCCC[NH3+])c(O)c1 ZINC000083392305 705608652 /nfs/dbraw/zinc/60/86/52/705608652.db2.gz QGNNMBBJRCDPBF-UHFFFAOYSA-N 1 0 252.314 1.146 20 10 CDCDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000816660819 705613830 /nfs/dbraw/zinc/61/38/30/705613830.db2.gz QLASGFKUTFAAPY-CYBMUJFWSA-N 1 0 264.369 1.927 20 10 CDCDRO COC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775620373 705674898 /nfs/dbraw/zinc/67/48/98/705674898.db2.gz YAFXKQWYJVKYES-ZDUSSCGKSA-N 1 0 292.379 1.737 20 10 CDCDRO CCOc1ccc(CN2CCC[C@H]2C[NH2+]C)c(O)c1 ZINC000843055249 705680216 /nfs/dbraw/zinc/68/02/16/705680216.db2.gz HQJQMDWHGUPQML-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000858552846 705686343 /nfs/dbraw/zinc/68/63/43/705686343.db2.gz VZQKEZGEVBFCSD-MVWJERBFSA-N 1 0 267.325 1.201 20 10 CDCDRO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1O ZINC000179893976 705711598 /nfs/dbraw/zinc/71/15/98/705711598.db2.gz REFMSUHUKIKIIN-LLVKDONJSA-N 1 0 283.393 1.868 20 10 CDCDRO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccccc1O ZINC000870988758 705716998 /nfs/dbraw/zinc/71/69/98/705716998.db2.gz YWHWSLQNCSOOAY-LLVKDONJSA-N 1 0 262.353 1.959 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000841856035 705721695 /nfs/dbraw/zinc/72/16/95/705721695.db2.gz LGXMNLFLCGKQQJ-AWEZNQCLSA-N 1 0 261.369 1.445 20 10 CDCDRO C[C@@H]1CO[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000884011220 705738925 /nfs/dbraw/zinc/73/89/25/705738925.db2.gz XJWIDWLAPMKYCS-GLQYFDAESA-N 1 0 291.395 1.294 20 10 CDCDRO COc1cccc(C[NH2+]CCC[S@](C)=O)c1O ZINC000116919195 705764368 /nfs/dbraw/zinc/76/43/68/705764368.db2.gz NNOUUXYZRPOHPJ-QGZVFWFLSA-N 1 0 257.355 1.259 20 10 CDCDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1O ZINC000876996134 705845531 /nfs/dbraw/zinc/84/55/31/705845531.db2.gz PSABIGXHDPULCW-AAEUAGOBSA-N 1 0 262.353 1.929 20 10 CDCDRO O=C(NCC[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000134604552 705910524 /nfs/dbraw/zinc/91/05/24/705910524.db2.gz QCEDDPIGFMHSIR-UHFFFAOYSA-N 1 0 268.744 1.661 20 10 CDCDRO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000841653922 705958240 /nfs/dbraw/zinc/95/82/40/705958240.db2.gz KTBKPURTTPCXBV-OLZOCXBDSA-N 1 0 290.411 1.644 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000817415680 705987990 /nfs/dbraw/zinc/98/79/90/705987990.db2.gz WQRNNPYTXBZCHK-CYBMUJFWSA-N 1 0 279.359 1.602 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000780893766 705992766 /nfs/dbraw/zinc/99/27/66/705992766.db2.gz ZWEJMAOHVJPHPI-NWDGAFQWSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CC[N@@H+]1C ZINC000826076679 705999989 /nfs/dbraw/zinc/99/99/89/705999989.db2.gz IZXRSAKATKTNOO-DTWKUNHWSA-N 1 0 282.315 1.449 20 10 CDCDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CC2 ZINC000882961421 706003957 /nfs/dbraw/zinc/00/39/57/706003957.db2.gz NCUAMEUXKYQTLD-LLVKDONJSA-N 1 0 294.305 1.675 20 10 CDCDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(O)c2O)C[C@@H]1C ZINC000790910802 706039033 /nfs/dbraw/zinc/03/90/33/706039033.db2.gz BQLAHBMHUYSQHY-QWRGUYRKSA-N 1 0 278.352 1.653 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(O)c1 ZINC000877493423 706052316 /nfs/dbraw/zinc/05/23/16/706052316.db2.gz BELFOWUIEMUKBX-KGLIPLIRSA-N 1 0 265.353 1.435 20 10 CDCDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N(C)OC)cc1C ZINC000858318046 706076477 /nfs/dbraw/zinc/07/64/77/706076477.db2.gz BODWXQFNWVXKIZ-NSHDSACASA-N 1 0 266.341 1.502 20 10 CDCDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(O)c2O)C1 ZINC000838149076 706100614 /nfs/dbraw/zinc/10/06/14/706100614.db2.gz VZBDGKVXTHQZNJ-LLVKDONJSA-N 1 0 278.352 1.560 20 10 CDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000877516018 706110603 /nfs/dbraw/zinc/11/06/03/706110603.db2.gz ARWSHCVQAOHUAI-HUUCEWRRSA-N 1 0 290.407 1.996 20 10 CDCDRO CC[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(C)cc1O ZINC000817982027 706129114 /nfs/dbraw/zinc/12/91/14/706129114.db2.gz AYYXMGCPRCECNB-TZMCWYRMSA-N 1 0 264.369 1.730 20 10 CDCDRO COc1cccc(CNC(=O)NCC2CC[NH2+]CC2)c1O ZINC000841923267 706145636 /nfs/dbraw/zinc/14/56/36/706145636.db2.gz ACCXTIZBELIRJX-UHFFFAOYSA-N 1 0 293.367 1.200 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCOC[C@@H]1OC ZINC000824709195 706146444 /nfs/dbraw/zinc/14/64/44/706146444.db2.gz OOWTTXQAPQXADK-ABAIWWIYSA-N 1 0 281.352 1.542 20 10 CDCDRO Cc1cc(C[NH+](CCO)CCO)ccc1N1CCCCC1 ZINC000827674434 709593426 /nfs/dbraw/zinc/59/34/26/709593426.db2.gz HGNJSASGTUHRFO-UHFFFAOYSA-N 1 0 292.423 1.772 20 10 CDCDRO CCCOc1ccc(C[NH2+]C(CO)CO)cc1C ZINC000873062758 709609269 /nfs/dbraw/zinc/60/92/69/709609269.db2.gz ZHLQWAHLFPNZEM-UHFFFAOYSA-N 1 0 253.342 1.227 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000841059161 709647642 /nfs/dbraw/zinc/64/76/42/709647642.db2.gz ZZFURLNAFYKLOL-GHMZBOCLSA-N 1 0 295.339 1.669 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)C2CC2)c1 ZINC000310939186 709651678 /nfs/dbraw/zinc/65/16/78/709651678.db2.gz JDWFDPZKMWBPEJ-CQSZACIVSA-N 1 0 251.326 1.651 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC000877602523 709810091 /nfs/dbraw/zinc/81/00/91/709810091.db2.gz ZBQJOTPOASTCNV-DGCLKSJQSA-N 1 0 263.337 1.942 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000876575593 709886860 /nfs/dbraw/zinc/88/68/60/709886860.db2.gz LHCVOSHHGJQXSL-UHFFFAOYSA-N 1 0 277.368 1.500 20 10 CDCDRO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc(N(C)C)cc1 ZINC000775833487 709899381 /nfs/dbraw/zinc/89/93/81/709899381.db2.gz JXOKFGCHLCKCIA-CJNGLKHVSA-N 1 0 288.395 1.661 20 10 CDCDRO CN1CC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000712580799 709915796 /nfs/dbraw/zinc/91/57/96/709915796.db2.gz PESBTRQBYDLTKX-NSHDSACASA-N 1 0 285.185 1.948 20 10 CDCDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1cccc(OC)c1O ZINC000841959233 709993334 /nfs/dbraw/zinc/99/33/34/709993334.db2.gz OKXUQUKVONRIBG-LBPRGKRZSA-N 1 0 295.383 1.718 20 10 CDCDRO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921500630 710016824 /nfs/dbraw/zinc/01/68/24/710016824.db2.gz FPNBHNGHYMHTQJ-ZDUSSCGKSA-N 1 0 295.404 1.536 20 10 CDCDRO COc1cccc([C@H](C)[NH2+]CC(=O)NC(C)C)c1O ZINC000846135142 710020005 /nfs/dbraw/zinc/02/00/05/710020005.db2.gz BPBKYZKVLXFBAH-JTQLQIEISA-N 1 0 266.341 1.576 20 10 CDCDRO CON(C)C(=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818954526 710023686 /nfs/dbraw/zinc/02/36/86/710023686.db2.gz URUZNMGVQNOVRZ-UHFFFAOYSA-N 1 0 291.395 1.786 20 10 CDCDRO COc1ccc(N(C)C[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000258785279 710049454 /nfs/dbraw/zinc/04/94/54/710049454.db2.gz BOVWVZYRPBLPON-NSHDSACASA-N 1 0 250.342 1.750 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3C[C@@H]3C1)[C@H](O)CO2 ZINC000853577706 710074407 /nfs/dbraw/zinc/07/44/07/710074407.db2.gz VENGJGFXRITEJC-GPCCPHFNSA-N 1 0 261.321 1.660 20 10 CDCDRO Nc1ccc(CC(=O)NC[C@H]2CCNCC2(F)F)cc1 ZINC000819011124 710089571 /nfs/dbraw/zinc/08/95/71/710089571.db2.gz QFXKBXWCWCZCGE-LLVKDONJSA-N 1 0 283.322 1.172 20 10 CDCDRO O=C1NCCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000839196606 710108536 /nfs/dbraw/zinc/10/85/36/710108536.db2.gz WIRKUPDNMJQOHU-SECBINFHSA-N 1 0 268.744 1.661 20 10 CDCDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000843045915 710136474 /nfs/dbraw/zinc/13/64/74/710136474.db2.gz LSURCZVODUNGJM-ZYHUDNBSSA-N 1 0 278.352 1.823 20 10 CDCDRO C[C@H](CCC[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654046 710187152 /nfs/dbraw/zinc/18/71/52/710187152.db2.gz MDXGODCZRHFIHW-GFCCVEGCSA-N 1 0 278.400 1.679 20 10 CDCDRO COc1cccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1O ZINC000070075096 710205296 /nfs/dbraw/zinc/20/52/96/710205296.db2.gz ITTXLYKMEHBXKF-PHIMTYICSA-N 1 0 250.342 1.583 20 10 CDCDRO COc1ccc(N(C)C[C@H](O)C[N@H+](C)C2CC2)cc1OC ZINC000809936760 710298746 /nfs/dbraw/zinc/29/87/46/710298746.db2.gz OTGGLJRAGKJUAJ-CQSZACIVSA-N 1 0 294.395 1.595 20 10 CDCDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)N1CCC1 ZINC000849009823 710305270 /nfs/dbraw/zinc/30/52/70/710305270.db2.gz SZORWCDNFYGGMY-UHFFFAOYSA-N 1 0 256.353 1.793 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000841717062 710309703 /nfs/dbraw/zinc/30/97/03/710309703.db2.gz WWOUSTSWIPAONU-UHFFFAOYSA-N 1 0 290.411 1.646 20 10 CDCDRO COc1ccc(N(C)CCN(C)Cc2cnn(C)n2)cc1 ZINC000844401433 710322836 /nfs/dbraw/zinc/32/28/36/710322836.db2.gz LGTZACGNZGLUFY-UHFFFAOYSA-N 1 0 289.383 1.392 20 10 CDCDRO CN(Cc1ccccc1O)S(=O)(=O)CCC[NH+](C)C ZINC000866835260 710329078 /nfs/dbraw/zinc/32/90/78/710329078.db2.gz WNDSYQNWXTYZJV-UHFFFAOYSA-N 1 0 286.397 1.106 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1 ZINC000398335615 710343923 /nfs/dbraw/zinc/34/39/23/710343923.db2.gz KITJNPDOUJVTHR-VHSXEESVSA-N 1 0 264.325 1.188 20 10 CDCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824533962 710354817 /nfs/dbraw/zinc/35/48/17/710354817.db2.gz UYPRKZHKFOIXTM-CQSZACIVSA-N 1 0 296.386 1.865 20 10 CDCDRO C[C@H](NC(=O)NCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776242637 710356622 /nfs/dbraw/zinc/35/66/22/710356622.db2.gz APNQKVDAFYPOID-LBPRGKRZSA-N 1 0 278.400 1.674 20 10 CDCDRO CC[C@@H](C(=O)NCc1ccc2cccnc2c1O)[NH+](C)C ZINC000862027546 710363292 /nfs/dbraw/zinc/36/32/92/710363292.db2.gz WKNPYJAUDBTWCI-ZDUSSCGKSA-N 1 0 287.363 1.897 20 10 CDCDRO CN(C)c1ccc(CNC(=O)C2([NH+](C)C)CC2)cc1F ZINC000824669890 710419594 /nfs/dbraw/zinc/41/95/94/710419594.db2.gz SKUVBLHLHPXNEL-UHFFFAOYSA-N 1 0 279.359 1.602 20 10 CDCDRO Cc1cccc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1O ZINC000862427384 710439662 /nfs/dbraw/zinc/43/96/62/710439662.db2.gz XDYRPSSRWKWBPU-CQSZACIVSA-N 1 0 251.326 1.284 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000839198802 710445455 /nfs/dbraw/zinc/44/54/55/710445455.db2.gz INCYDOSAFWQPHV-QWHCGFSZSA-N 1 0 283.299 1.237 20 10 CDCDRO C[C@]1(O)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000180189957 710450544 /nfs/dbraw/zinc/45/05/44/710450544.db2.gz YBMDYJIBISKOAI-INIZCTEOSA-N 1 0 276.380 1.480 20 10 CDCDRO CCN(C)c1ccc(CN2CCOC[C@@H]2COC)cc1 ZINC000933331664 710458508 /nfs/dbraw/zinc/45/85/08/710458508.db2.gz MUHPKZKMPLVUTC-INIZCTEOSA-N 1 0 278.396 1.990 20 10 CDCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000779389508 710468259 /nfs/dbraw/zinc/46/82/59/710468259.db2.gz BJSFFICVIYAJFN-LBPRGKRZSA-N 1 0 296.386 1.647 20 10 CDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCOCC1 ZINC000921981809 710477996 /nfs/dbraw/zinc/47/79/96/710477996.db2.gz AGBQBSBERQLKFS-MRXNPFEDSA-N 1 0 291.391 1.889 20 10 CDCDRO CC[NH2+]CCCNC(=O)NCc1cccc(OC)c1O ZINC000841917198 710482450 /nfs/dbraw/zinc/48/24/50/710482450.db2.gz HKNLIPKMBVDNHT-UHFFFAOYSA-N 1 0 281.356 1.200 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1OC ZINC000841105275 710513144 /nfs/dbraw/zinc/51/31/44/710513144.db2.gz GPSNWCOECFMFHZ-INIZCTEOSA-N 1 0 292.379 1.737 20 10 CDCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000851656135 710573895 /nfs/dbraw/zinc/57/38/95/710573895.db2.gz HLPVRULSSMADFZ-GFCCVEGCSA-N 1 0 290.411 1.476 20 10 CDCDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000066969639 710673413 /nfs/dbraw/zinc/67/34/13/710673413.db2.gz DMGACPKTJAZTNR-GFCCVEGCSA-N 1 0 282.359 1.787 20 10 CDCDRO COc1cccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1O ZINC000070075098 710681354 /nfs/dbraw/zinc/68/13/54/710681354.db2.gz ITTXLYKMEHBXKF-GHMZBOCLSA-N 1 0 250.342 1.583 20 10 CDCDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000134227416 710711747 /nfs/dbraw/zinc/71/17/47/710711747.db2.gz ZNEFHCICFLLDHB-ZDUSSCGKSA-N 1 0 253.342 1.515 20 10 CDCDRO CCc1cccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000848907595 710720608 /nfs/dbraw/zinc/72/06/08/710720608.db2.gz FYQDRVDFGFKEGJ-HUUCEWRRSA-N 1 0 279.380 1.689 20 10 CDCDRO CCC[C@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877028041 710747877 /nfs/dbraw/zinc/74/78/77/710747877.db2.gz WVEIETMXKKVICC-KRWDZBQOSA-N 1 0 292.423 1.898 20 10 CDCDRO COC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922081234 710861429 /nfs/dbraw/zinc/86/14/29/710861429.db2.gz KBMGVHSIFLNOKV-CYBMUJFWSA-N 1 0 251.326 1.109 20 10 CDCDRO CCOc1ccc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)c(O)c1 ZINC000886229741 711362154 /nfs/dbraw/zinc/36/21/54/711362154.db2.gz VFXURQLOBVLOCI-KBPBESRZSA-N 1 0 295.379 1.811 20 10 CDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000790999213 711379103 /nfs/dbraw/zinc/37/91/03/711379103.db2.gz CCRMSMMDILXUHK-SNVBAGLBSA-N 1 0 265.231 1.414 20 10 CDCDRO COc1cccc(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1O ZINC000792193284 711404981 /nfs/dbraw/zinc/40/49/81/711404981.db2.gz UULCJJLWFNEPID-QEAOQQLJSA-N 1 0 283.393 1.742 20 10 CDCDRO CC(C)([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000236855453 711429234 /nfs/dbraw/zinc/42/92/34/711429234.db2.gz XNIFBAQARGFHRS-UHFFFAOYSA-N 1 0 291.395 1.267 20 10 CDCDRO COc1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000841937614 711500912 /nfs/dbraw/zinc/50/09/12/711500912.db2.gz ANHXNMMDRHIPJL-NSHDSACASA-N 1 0 293.367 1.200 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000840825605 711505192 /nfs/dbraw/zinc/50/51/92/711505192.db2.gz YAGWUWOGRSEZBI-TUKIKUTGSA-N 1 0 264.369 1.817 20 10 CDCDRO Nc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852790420 711541140 /nfs/dbraw/zinc/54/11/40/711541140.db2.gz PLNRSPUXJJJDGD-NSHDSACASA-N 1 0 273.258 1.749 20 10 CDCDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(N(C)C)c(F)c1 ZINC000122324503 711544770 /nfs/dbraw/zinc/54/47/70/711544770.db2.gz XDNBTDTYMYKJSD-UHFFFAOYSA-N 1 0 281.375 1.835 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(OC)CCOC2)c1 ZINC000123265684 711558703 /nfs/dbraw/zinc/55/87/03/711558703.db2.gz VVLOEUWJFYLDPG-IAQYHMDHSA-N 1 0 281.352 1.857 20 10 CDCDRO Cc1nccnc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792600 711576872 /nfs/dbraw/zinc/57/68/72/711576872.db2.gz YOQVYDZTUCXQFL-AWEZNQCLSA-N 1 0 299.378 1.281 20 10 CDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000313298395 711581588 /nfs/dbraw/zinc/58/15/88/711581588.db2.gz ATTNWKWWQUHCNS-HNNXBMFYSA-N 1 0 294.395 1.010 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CO1 ZINC000842669792 711645174 /nfs/dbraw/zinc/64/51/74/711645174.db2.gz CVOUONCAZFAWCH-TZMCWYRMSA-N 1 0 294.370 1.929 20 10 CDCDRO COc1cc(C[NH2+]C(CO)CO)c(O)c(C(C)(C)C)c1 ZINC000850159517 711648749 /nfs/dbraw/zinc/64/87/49/711648749.db2.gz GKEVHDGYZINBOZ-UHFFFAOYSA-N 1 0 283.368 1.141 20 10 CDCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000825280001 711664130 /nfs/dbraw/zinc/66/41/30/711664130.db2.gz VYZPYBRZUIRDCK-CMPLNLGQSA-N 1 0 278.352 1.535 20 10 CDCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)c1O ZINC000848914419 711670013 /nfs/dbraw/zinc/67/00/13/711670013.db2.gz JPSYEVBQMBIGDW-CHWSQXEVSA-N 1 0 251.326 1.146 20 10 CDCDRO C[NH+]1CCC(CNC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000825679429 711673701 /nfs/dbraw/zinc/67/37/01/711673701.db2.gz RRVSPEKZLFJNID-UHFFFAOYSA-N 1 0 282.315 1.309 20 10 CDCDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877345220 711681455 /nfs/dbraw/zinc/68/14/55/711681455.db2.gz YGIKGFZSVPCZMH-UKRRQHHQSA-N 1 0 265.353 1.984 20 10 CDCDRO CN(C)c1cc(F)c(C[NH2+][C@]23C[C@H]2COC3)cc1F ZINC000886199058 711693919 /nfs/dbraw/zinc/69/39/19/711693919.db2.gz JNDZIBAPFMTNFE-HZMBPMFUSA-N 1 0 268.307 1.909 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c1O ZINC000846143091 711700841 /nfs/dbraw/zinc/70/08/41/711700841.db2.gz APNCLPQWPMRRLV-ZWNOBZJWSA-N 1 0 291.351 1.519 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](OC)C2)cc1OC ZINC000862541111 711716991 /nfs/dbraw/zinc/71/69/91/711716991.db2.gz PYWPIIZOKUQPTN-XYPYZODXSA-N 1 0 267.325 1.676 20 10 CDCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C)cc1 ZINC000305115044 711723316 /nfs/dbraw/zinc/72/33/16/711723316.db2.gz HOWWSFCEDZKQQC-XJKSGUPXSA-N 1 0 279.428 1.716 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000841937211 711726676 /nfs/dbraw/zinc/72/66/76/711726676.db2.gz PEBJAOKZHQMCDW-WDEREUQCSA-N 1 0 293.367 1.513 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1Cl ZINC000825548097 711743129 /nfs/dbraw/zinc/74/31/29/711743129.db2.gz BPYINLAFWBAQAV-WDEREUQCSA-N 1 0 271.744 1.282 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000794833460 711753355 /nfs/dbraw/zinc/75/33/55/711753355.db2.gz DSCRKWDPZLRXQX-QXEWZRGKSA-N 1 0 269.316 1.677 20 10 CDCDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1O ZINC000783727855 711763718 /nfs/dbraw/zinc/76/37/18/711763718.db2.gz GPKQWXCAMHGGEN-AWEZNQCLSA-N 1 0 279.336 1.714 20 10 CDCDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(OC)cc1O ZINC000841957382 711777903 /nfs/dbraw/zinc/77/79/03/711777903.db2.gz IUAOMHCUOQLEMC-LBPRGKRZSA-N 1 0 295.383 1.718 20 10 CDCDRO COC1(CO)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000775205315 711779983 /nfs/dbraw/zinc/77/99/83/711779983.db2.gz XKKCOUQMJCJLFA-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO COc1cccc(C[NH2+]C[C@@H](OC)C2CCOCC2)c1O ZINC000877526964 711780246 /nfs/dbraw/zinc/78/02/46/711780246.db2.gz WXJUUWATSHERMS-OAHLLOKOSA-N 1 0 295.379 1.932 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000841965922 711786758 /nfs/dbraw/zinc/78/67/58/711786758.db2.gz LRYOZUPHXFRYQQ-TVQRCGJNSA-N 1 0 293.367 1.498 20 10 CDCDRO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccccc1O ZINC000779214522 711796013 /nfs/dbraw/zinc/79/60/13/711796013.db2.gz AEOUXZLEZSDBJR-ZDUSSCGKSA-N 1 0 262.353 1.835 20 10 CDCDRO CC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)COC1 ZINC000877691368 711800981 /nfs/dbraw/zinc/80/09/81/711800981.db2.gz NZMPFCTYQKOGAQ-UHFFFAOYSA-N 1 0 280.343 1.541 20 10 CDCDRO COC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037252086 711804278 /nfs/dbraw/zinc/80/42/78/711804278.db2.gz GJGDCICTKHUOGE-NSHDSACASA-N 1 0 250.342 1.966 20 10 CDCDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)[C@H]1OC ZINC000877352444 711809758 /nfs/dbraw/zinc/80/97/58/711809758.db2.gz YHMPIDOPORHYFV-BPLDGKMQSA-N 1 0 265.353 1.983 20 10 CDCDRO CCOc1cccc(C[NH2+]C(COC)COC)c1O ZINC000388369472 711810778 /nfs/dbraw/zinc/81/07/78/711810778.db2.gz CCQIJRWOSVBUKS-UHFFFAOYSA-N 1 0 269.341 1.542 20 10 CDCDRO C[NH2+][C@H](C)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881376935 711812121 /nfs/dbraw/zinc/81/21/21/711812121.db2.gz AVGGPSIBSXIDCG-GFCCVEGCSA-N 1 0 273.384 1.981 20 10 CDCDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817955220 711823101 /nfs/dbraw/zinc/82/31/01/711823101.db2.gz SVFLWUDVEUJKET-GHMZBOCLSA-N 1 0 279.340 1.951 20 10 CDCDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000808437687 711825568 /nfs/dbraw/zinc/82/55/68/711825568.db2.gz USVPDAYUIVZBGC-AWEZNQCLSA-N 1 0 295.452 1.710 20 10 CDCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000183614240 711826908 /nfs/dbraw/zinc/82/69/08/711826908.db2.gz AEZPWROXGRCVSV-WDEREUQCSA-N 1 0 260.337 1.806 20 10 CDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000794672463 711829062 /nfs/dbraw/zinc/82/90/62/711829062.db2.gz LAHJRNSLYOHTBY-GDBMZVCRSA-N 1 0 293.363 1.555 20 10 CDCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000794710641 711833806 /nfs/dbraw/zinc/83/38/06/711833806.db2.gz HSFJVWRNJMKIEQ-KRWDZBQOSA-N 1 0 288.391 1.968 20 10 CDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COCC[NH3+] ZINC000843486119 711839002 /nfs/dbraw/zinc/83/90/02/711839002.db2.gz QBMSTODVIQTHPG-UHFFFAOYSA-N 1 0 293.411 1.465 20 10 CDCDRO C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000870988102 1165249259 /nfs/dbraw/zinc/24/92/59/1165249259.db2.gz GJRVZFHLYOMEMT-NEPJUHHUSA-N 1 0 262.353 1.959 20 10 CDCDRO CC[NH2+][C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000876884347 1165934356 /nfs/dbraw/zinc/93/43/56/1165934356.db2.gz GNJPRBCTHUWPQS-LLVKDONJSA-N 1 0 276.380 1.885 20 10 CDCDRO Cc1ccc(C[NH2+]CCCO[C@H]2CCOC2)c(O)c1 ZINC000877086764 1165972102 /nfs/dbraw/zinc/97/21/02/1165972102.db2.gz AKAPUYBZPPAFPK-AWEZNQCLSA-N 1 0 265.353 1.986 20 10 CDCDRO Oc1ccc(F)cc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001140056162 894768522 /nfs/dbraw/zinc/76/85/22/894768522.db2.gz KCHJEKGDSYGXDP-OAHLLOKOSA-N 1 0 294.370 1.828 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCOC[C@H](O)C2)c1O ZINC001140178735 895202902 /nfs/dbraw/zinc/20/29/02/895202902.db2.gz VZFBFWLCHFOIIQ-GFCCVEGCSA-N 1 0 251.326 1.202 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c1O ZINC001140742797 898163955 /nfs/dbraw/zinc/16/39/55/898163955.db2.gz ZPKKLGPCYXLJDI-DGCLKSJQSA-N 1 0 269.316 1.701 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)c(OC)c1 ZINC001141032102 899348342 /nfs/dbraw/zinc/34/83/42/899348342.db2.gz SEGRUVIRUYZJJH-LLVKDONJSA-N 1 0 281.352 1.756 20 10 CDCDRO NC(=O)N=Nc1ccc(C(=O)NCCC[NH2+]CCF)cc1 ZINC001177237533 914548577 /nfs/dbraw/zinc/54/85/77/914548577.db2.gz CRQCKHLIFZUXNF-UHFFFAOYSA-N 1 0 295.318 1.528 20 10 CDCDRO CCOc1ccc(CN(C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236122205 914691036 /nfs/dbraw/zinc/69/10/36/914691036.db2.gz MZXULMZXRWHBDX-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO Cc1cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)cc1Br ZINC001236289819 914883800 /nfs/dbraw/zinc/88/38/00/914883800.db2.gz IYAWIDHTKWZICG-JQWIXIFHSA-N 1 0 297.196 1.867 20 10 CDCDRO C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182155899 917696371 /nfs/dbraw/zinc/69/63/71/917696371.db2.gz VIAKNGXZDUYYIO-LBPRGKRZSA-N 1 0 278.352 1.241 20 10 CDCDRO COc1cc(C[N@H+](C)[C@H]2CCCOC2)cc(O)c1O ZINC001204351803 918041367 /nfs/dbraw/zinc/04/13/67/918041367.db2.gz WFOAHZULECUQPC-NSHDSACASA-N 1 0 267.325 1.717 20 10 CDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc(F)c1O ZINC001138130846 936476582 /nfs/dbraw/zinc/47/65/82/936476582.db2.gz JJASABVXVNPDAG-RYUDHWBXSA-N 1 0 250.317 1.810 20 10 CDCDRO CC(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC001140055087 936674584 /nfs/dbraw/zinc/67/45/84/936674584.db2.gz HTCLXILCLQNRNT-UHFFFAOYSA-N 1 0 280.343 1.974 20 10 CDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060132 936675814 /nfs/dbraw/zinc/67/58/14/936675814.db2.gz LXCYQURGOQHDCO-ZDUSSCGKSA-N 1 0 266.316 1.584 20 10 CDCDRO CC[NH+]1CCN(c2ccc(CN3CC(OC)C3)cc2)CC1 ZINC001140299631 936699156 /nfs/dbraw/zinc/69/91/56/936699156.db2.gz CNKZBHDMPWQAJG-UHFFFAOYSA-N 1 0 289.423 1.659 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1O ZINC001140745284 936749009 /nfs/dbraw/zinc/74/90/09/936749009.db2.gz CZOSDNPVVCHNQC-LLVKDONJSA-N 1 0 264.325 1.246 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001140921344 936776216 /nfs/dbraw/zinc/77/62/16/936776216.db2.gz AXUIKIIAJWISQD-WFASDCNBSA-N 1 0 298.814 1.581 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c(O)c1 ZINC001140947855 936782335 /nfs/dbraw/zinc/78/23/35/936782335.db2.gz IMFYBGUQECHGDI-KBPBESRZSA-N 1 0 271.307 1.945 20 10 CDCDRO Cc1ccc(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c(O)c1 ZINC001140951076 936783474 /nfs/dbraw/zinc/78/34/74/936783474.db2.gz XTWXJGHOFZRVGE-AWEZNQCLSA-N 1 0 276.380 1.606 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(OC)c1 ZINC001141031338 936794742 /nfs/dbraw/zinc/79/47/42/936794742.db2.gz DJBQTEUNKJNIIE-CHWSQXEVSA-N 1 0 299.342 1.704 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC001141031799 936795597 /nfs/dbraw/zinc/79/55/97/936795597.db2.gz MBIVJOFSLATXHE-UHFFFAOYSA-N 1 0 292.379 1.689 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](O)C2)c(OC)c1 ZINC001141026162 936794416 /nfs/dbraw/zinc/79/44/16/936794416.db2.gz GRDQKHIFDVPOAK-JTQLQIEISA-N 1 0 267.325 1.366 20 10 CDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203878558 925151559 /nfs/dbraw/zinc/15/15/59/925151559.db2.gz CEQMDGZIGIKAQU-NSHDSACASA-N 1 0 265.309 1.625 20 10 CDCDRO CN1CC[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001273285565 925744861 /nfs/dbraw/zinc/74/48/61/925744861.db2.gz SETBSWTWMWMEEZ-OAHLLOKOSA-N 1 0 278.327 1.586 20 10 CDCDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001168959147 927579932 /nfs/dbraw/zinc/57/99/32/927579932.db2.gz UAEFWMXAZFZUOS-PUYPPJJSSA-N 1 0 296.323 1.166 20 10 CDCDRO [NH3+]Cc1ccc2c(n1)N(c1nccc3c1NC(=O)C3)CCC2 ZINC001169583307 928232824 /nfs/dbraw/zinc/23/28/24/928232824.db2.gz BBMTYAMXVZNUMO-UHFFFAOYSA-N 1 0 295.346 1.514 20 10 CDCDRO CCc1cccc(C[NH2+]CCN(C)CCOC)c1O ZINC000691450114 928865474 /nfs/dbraw/zinc/86/54/74/928865474.db2.gz XBBGZFIWKPYSKW-UHFFFAOYSA-N 1 0 266.385 1.622 20 10 CDCDRO Oc1ccc(CC[NH2+][C@@H]2CCCOCC2)cc1O ZINC001170774932 929926630 /nfs/dbraw/zinc/92/66/30/929926630.db2.gz FXFXWJBFHHHWFA-GFCCVEGCSA-N 1 0 251.326 1.799 20 10 CDCDRO Cc1c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c2ccccc2n1C ZINC001206088272 930537284 /nfs/dbraw/zinc/53/72/84/930537284.db2.gz YBUSODWKSDRBNW-GDBMZVCRSA-N 1 0 273.380 1.381 20 10 CDCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC001116770505 937470844 /nfs/dbraw/zinc/47/08/44/937470844.db2.gz GCTHBYBXNGEXDD-VXGBXAGGSA-N 1 0 267.300 1.963 20 10 CDCDRO CC(C)C[NH+]1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144503709 931863931 /nfs/dbraw/zinc/86/39/31/931863931.db2.gz ARMAQPGUNLONPK-UHFFFAOYSA-N 1 0 280.368 1.577 20 10 CDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144520219 931871575 /nfs/dbraw/zinc/87/15/75/931871575.db2.gz MFIFCFWQFUYLEF-SNVBAGLBSA-N 1 0 295.335 1.579 20 10 CDCDRO Cc1cc(C[N@H+](C)Cc2c(O)cc(O)cc2O)n(C)n1 ZINC001144509020 931874093 /nfs/dbraw/zinc/87/40/93/931874093.db2.gz HWGAVKCEZFLHOM-UHFFFAOYSA-N 1 0 277.324 1.477 20 10 CDCDRO Oc1cc(O)c(CN2CC([NH+]3CCCC3)C2)c(O)c1 ZINC001144508851 931874421 /nfs/dbraw/zinc/87/44/21/931874421.db2.gz ARHSHTXWBOMTQC-UHFFFAOYSA-N 1 0 264.325 1.083 20 10 CDCDRO CCO[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509103 931874715 /nfs/dbraw/zinc/87/47/15/931874715.db2.gz LCRSPKQBQCYXGH-LLVKDONJSA-N 1 0 267.325 1.804 20 10 CDCDRO COC(=O)CC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001258355649 934809171 /nfs/dbraw/zinc/80/91/71/934809171.db2.gz HPTYFDLFASSSQS-SECBINFHSA-N 1 0 283.324 1.277 20 10 CDCDRO NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001278254598 945214562 /nfs/dbraw/zinc/21/45/62/945214562.db2.gz AUBIMUIEHKFIIV-LBPRGKRZSA-N 1 0 278.327 1.619 20 10 CDCDRO CCN(C(=O)CCc1ccc(O)c(O)c1)[C@H]1CCC[NH2+]C1 ZINC001161329732 938890576 /nfs/dbraw/zinc/89/05/76/938890576.db2.gz GYGDWJRTJVQLQK-ZDUSSCGKSA-N 1 0 292.379 1.631 20 10 CDCDRO CCN(C(=O)c1cc(O)c(O)c(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC001161345887 938894091 /nfs/dbraw/zinc/89/40/91/938894091.db2.gz JBNGBQOTZHFLKE-LLVKDONJSA-N 1 0 294.351 1.321 20 10 CDCDRO COc1cccc(N)c1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650544 939298666 /nfs/dbraw/zinc/29/86/66/939298666.db2.gz RRLFZRPMIGCULR-GOEBONIOSA-N 1 0 291.395 1.991 20 10 CDCDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccccc1O ZINC001203563267 939693145 /nfs/dbraw/zinc/69/31/45/939693145.db2.gz XLVGKUVZVMHGHA-SCDSUCTJSA-N 1 0 261.321 1.918 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1O ZINC001203602411 939695369 /nfs/dbraw/zinc/69/53/69/939695369.db2.gz VKPXYWGMBILLJB-NWDGAFQWSA-N 1 0 269.316 1.696 20 10 CDCDRO CCOc1cccc(CN2CC([NH+](C)C)C2)c1O ZINC001203602330 939696291 /nfs/dbraw/zinc/69/62/91/939696291.db2.gz PIGGTPQOAOMEIC-UHFFFAOYSA-N 1 0 250.342 1.537 20 10 CDCDRO CCOc1cccc(C[NH+]2CC3(CN(C)C3)C2)c1O ZINC001203617340 939696411 /nfs/dbraw/zinc/69/64/11/939696411.db2.gz NZSYFURHRWKNOH-UHFFFAOYSA-N 1 0 262.353 1.538 20 10 CDCDRO CC[N@@H+]1CCN(Cc2ccc(OC)cc2O)[C@H](C)C1 ZINC001203634984 939699120 /nfs/dbraw/zinc/69/91/20/939699120.db2.gz FDJNVDNAVYPXLK-GFCCVEGCSA-N 1 0 264.369 1.927 20 10 CDCDRO Oc1ccc(CN2CCC([NH+]3CCOCC3)CC2)cc1O ZINC001203874346 939709748 /nfs/dbraw/zinc/70/97/48/939709748.db2.gz UNQYEDOOPOJBBD-UHFFFAOYSA-N 1 0 292.379 1.394 20 10 CDCDRO CN(C)c1ccc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cc1 ZINC001203930593 939714388 /nfs/dbraw/zinc/71/43/88/939714388.db2.gz AGFXDIMQEKZITP-MRXNPFEDSA-N 1 0 290.407 1.868 20 10 CDCDRO C[C@H]1CC[N@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204275854 939749679 /nfs/dbraw/zinc/74/96/79/939749679.db2.gz CXHOQMNWYUUMKG-GXFFZTMASA-N 1 0 251.326 1.691 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328561 939756201 /nfs/dbraw/zinc/75/62/01/939756201.db2.gz JINOYWXKHZQEME-MRXNPFEDSA-N 1 0 287.407 1.997 20 10 CDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c(O)ccc(F)c1F ZINC001276470758 939769043 /nfs/dbraw/zinc/76/90/43/939769043.db2.gz RSXXRHDXADIWRX-RYUDHWBXSA-N 1 0 268.307 1.949 20 10 CDCDRO C[C@@]1([NH3+])CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC001204771966 939789514 /nfs/dbraw/zinc/78/95/14/939789514.db2.gz RPGHQUZDTQZGHL-MRXNPFEDSA-N 1 0 275.396 1.446 20 10 CDCDRO Cc1ccc(C)n1-c1ccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205947036 939959091 /nfs/dbraw/zinc/95/90/91/939959091.db2.gz VJMCGEGLVILIGA-QZTJIDSGSA-N 1 0 299.418 1.988 20 10 CDCDRO Nc1ccc(N(Cc2ccccc2)C(=O)C[C@H](O)C[NH3+])cc1 ZINC001218954947 941293233 /nfs/dbraw/zinc/29/32/33/941293233.db2.gz HQQSWQQZUYUIIY-INIZCTEOSA-N 1 0 299.374 1.512 20 10 CDCDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C)C2)c1O ZINC000311137944 941320302 /nfs/dbraw/zinc/32/03/02/941320302.db2.gz SKLYQKNTVUPSSM-GFCCVEGCSA-N 1 0 250.342 1.537 20 10 CDCDRO COc1ccc(N2CC3(CN(CC[NH+](C)C)C3)C2)cc1F ZINC001277009641 941809931 /nfs/dbraw/zinc/80/99/31/941809931.db2.gz KXZGISCYKPRAKS-UHFFFAOYSA-N 1 0 293.386 1.518 20 10 CDCDRO COc1cc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(O)cc1O ZINC001231634394 942950329 /nfs/dbraw/zinc/95/03/29/942950329.db2.gz LVJJBRFTBNHOAV-JQWIXIFHSA-N 1 0 281.352 1.699 20 10 CDCDRO C[C@H]1C[N@H+](Cc2cc(Cl)c(O)cc2O)CC[C@@H]1O ZINC001232260492 943192650 /nfs/dbraw/zinc/19/26/50/943192650.db2.gz QWFQUNXPFMTRRJ-KWQFWETISA-N 1 0 271.744 1.954 20 10 CDCDRO O=C1NC[C@@H]2CC[N@@H+](Cc3cc(Cl)c(O)cc3O)C[C@H]12 ZINC001232262428 943194855 /nfs/dbraw/zinc/19/48/55/943194855.db2.gz HAKDFXOPTZYYEI-WPRPVWTQSA-N 1 0 296.754 1.319 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c(O)c1 ZINC001232836097 943414626 /nfs/dbraw/zinc/41/46/26/943414626.db2.gz KWKRNBVXJIPLEK-KBPBESRZSA-N 1 0 282.359 1.753 20 10 CDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC001232839258 943415713 /nfs/dbraw/zinc/41/57/13/943415713.db2.gz NMPCNVCXXSVYJA-OAHLLOKOSA-N 1 0 264.369 1.805 20 10 CDCDRO Cc1noc([C@H]2CC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233017739 943466212 /nfs/dbraw/zinc/46/62/12/943466212.db2.gz ZTIXYJWFDXKTQB-JTQLQIEISA-N 1 0 291.307 1.484 20 10 CDCDRO CC[NH+](CC)CCN(C)Cc1cc(O)c(O)cc1O ZINC001233482497 943591533 /nfs/dbraw/zinc/59/15/33/943591533.db2.gz PUAUNNJKZBTFDB-UHFFFAOYSA-N 1 0 268.357 1.577 20 10 CDCDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(N)cc2)C1(C)C ZINC001263303543 943822946 /nfs/dbraw/zinc/82/29/46/943822946.db2.gz ACMXVNCVGDJXQZ-BBRMVZONSA-N 1 0 291.395 1.418 20 10 CDCDRO COc1cc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(Cl)c1 ZINC001235048173 944022833 /nfs/dbraw/zinc/02/28/33/944022833.db2.gz BXGVVIZNCASXLC-QWHCGFSZSA-N 1 0 282.771 1.990 20 10 CDCDRO COC(=O)Cc1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235173049 944079041 /nfs/dbraw/zinc/07/90/41/944079041.db2.gz PGSFDYCTGNPJEF-XJKSGUPXSA-N 1 0 290.363 1.031 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1OC ZINC001235988437 944352781 /nfs/dbraw/zinc/35/27/81/944352781.db2.gz HWTWHCWOTCHJLS-ABAIWWIYSA-N 1 0 278.352 1.333 20 10 CDCDRO CN(Cc1ccccc1O)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236042601 944388695 /nfs/dbraw/zinc/38/86/95/944388695.db2.gz RUCNQWHNOPLLSS-LBPRGKRZSA-N 1 0 250.342 1.549 20 10 CDCDRO CCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)c(O)c1 ZINC001236784829 944567904 /nfs/dbraw/zinc/56/79/04/944567904.db2.gz BJRJBSJSRBRSRN-JLJPHGGASA-N 1 0 291.391 1.926 20 10 CDCDRO CCOc1ccc(C[N@@H+]2CC[C@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001237050682 944645701 /nfs/dbraw/zinc/64/57/01/944645701.db2.gz UILBWMLKKGZNRZ-HZPDHXFCSA-N 1 0 295.379 1.356 20 10 CDCDRO CCN(CC)c1ccc(CN(C)[C@H]2C[NH2+]C[C@@H]2OC)cc1 ZINC001237161087 944667647 /nfs/dbraw/zinc/66/76/47/944667647.db2.gz WONIQJKXMYQFRQ-IRXDYDNUSA-N 1 0 291.439 1.951 20 10 CDCDRO CC[N@H+](CCC(=O)OC)Cc1cc(OC)cc(OC)c1O ZINC001237680659 944923563 /nfs/dbraw/zinc/92/35/63/944923563.db2.gz LZANDGCAUNEVCG-UHFFFAOYSA-N 1 0 297.351 1.794 20 10 CDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1O ZINC001238060711 945045968 /nfs/dbraw/zinc/04/59/68/945045968.db2.gz IDSFXLUQXPPNBN-INIZCTEOSA-N 1 0 292.354 1.942 20 10 CDCDRO COC[C@H]1COCCN1Cc1cc(F)cc(C)c1O ZINC001238066083 945049087 /nfs/dbraw/zinc/04/90/87/945049087.db2.gz HQJMJJWFKJHMGY-ZDUSSCGKSA-N 1 0 269.316 1.687 20 10 CDCDRO [NH3+]Cc1cncc(-c2ccn(Cc3cccnc3)c(=O)c2)c1 ZINC001239806752 945593576 /nfs/dbraw/zinc/59/35/76/945593576.db2.gz KCZDCQIQNUFEIP-UHFFFAOYSA-N 1 0 292.342 1.812 20 10 CDCDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001261892479 946323502 /nfs/dbraw/zinc/32/35/02/946323502.db2.gz MFOMQHXYCCATKZ-AEGPPILISA-N 1 0 273.380 1.319 20 10 CDCDRO COc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)c(O)c1OC ZINC001262370866 946618897 /nfs/dbraw/zinc/61/88/97/946618897.db2.gz SZYZNURJEPVMKX-HXUWFJFHSA-N 1 0 299.392 1.410 20 10 CDCDRO O=C1C[C@@H]2CC([NH2+]Cc3ccc(O)cc3O)C[C@H]2C1 ZINC001254923168 947654817 /nfs/dbraw/zinc/65/48/17/947654817.db2.gz BGNWYELXLABSMP-QWRGUYRKSA-N 1 0 261.321 1.945 20 10 CDCDRO COC(=O)Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)c(O)c1 ZINC001249177637 949439041 /nfs/dbraw/zinc/43/90/41/949439041.db2.gz GYPXUPZBFPTEIT-NSHDSACASA-N 1 0 279.336 1.328 20 10 CDCDRO O=C([O-])C[NH+]1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC001595078830 951662989 /nfs/dbraw/zinc/66/29/89/951662989.db2.gz BLMLDNGQGMVEAK-ZDUSSCGKSA-N 1 0 290.363 1.518 20 10 CDCDRO C[NH2+][C@H](C)CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC001325371654 953868305 /nfs/dbraw/zinc/86/83/05/953868305.db2.gz LDKKASQMBNHNSL-GFCCVEGCSA-N 1 0 278.400 1.550 20 10 CDCDRO COC[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335133219 954476687 /nfs/dbraw/zinc/47/66/87/954476687.db2.gz FLWUIGOVFKFZSF-CZUORRHYSA-N 1 0 279.428 1.980 20 10 CDCDRO CC(C)([NH3+])CCNC(=O)NCc1ccc(N)cc1 ZINC001335592710 954889377 /nfs/dbraw/zinc/88/93/77/954889377.db2.gz TVLBVGQFEZXRRG-UHFFFAOYSA-N 1 0 250.346 1.195 20 10 CDCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)[C@H]1CCOC1 ZINC001308353065 956520960 /nfs/dbraw/zinc/52/09/60/956520960.db2.gz CXXSJHGPGNGRIM-ZFWWWQNUSA-N 1 0 288.391 1.974 20 10 CDCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)[C@H]1CCOC1 ZINC001308353055 956522170 /nfs/dbraw/zinc/52/21/70/956522170.db2.gz CXXSJHGPGNGRIM-DZGCQCFKSA-N 1 0 288.391 1.974 20 10 CDCDRO COc1cc(C)c(C[NH2+]CC2(N(C)C)CC2)c(O)c1 ZINC001308825674 956585580 /nfs/dbraw/zinc/58/55/80/956585580.db2.gz RVERTIMXIFCECC-UHFFFAOYSA-N 1 0 264.369 1.893 20 10 CDCDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O ZINC001335951681 960119082 /nfs/dbraw/zinc/11/90/82/960119082.db2.gz KAHIVOUWVRZPRZ-CQSZACIVSA-N 1 0 292.379 1.834 20 10 CDCDRO CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3O)cc2F)CC1 ZINC001336777809 960576936 /nfs/dbraw/zinc/57/69/36/960576936.db2.gz QFGWDSHFAHNILJ-GDBMZVCRSA-N 1 0 293.386 1.190 20 10 CDCDRO Nc1ccc(CCNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001338624704 961913877 /nfs/dbraw/zinc/91/38/77/961913877.db2.gz CALSYYBVDWJPIA-UONOGXRCSA-N 1 0 288.395 1.062 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)CCSCCC[NH3+] ZINC001340605667 963012796 /nfs/dbraw/zinc/01/27/96/963012796.db2.gz NNFVVBRRBVNUND-UHFFFAOYSA-N 1 0 282.409 1.823 20 10 CDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C12CC(C1)C[NH2+]2 ZINC001340943709 963204205 /nfs/dbraw/zinc/20/42/05/963204205.db2.gz KSLOVZVNXCTIRW-UHFFFAOYSA-N 1 0 287.407 1.853 20 10 CDCDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1c(O)cccc1F ZINC001341122009 963283456 /nfs/dbraw/zinc/28/34/56/963283456.db2.gz ALIIFUNQUDVKBJ-RQVXFDJMSA-N 1 0 278.327 1.559 20 10 CDCDRO Nc1ccc(CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC001343471723 963999082 /nfs/dbraw/zinc/99/90/82/963999082.db2.gz AIKKNUGZEQJSMV-UONOGXRCSA-N 1 0 261.369 1.793 20 10 CDCDRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001346737978 965233237 /nfs/dbraw/zinc/23/32/37/965233237.db2.gz CFSQOTFOHVPRNG-UHFFFAOYSA-N 1 0 290.411 1.800 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(N)n2)cc1 ZINC001349092711 966266435 /nfs/dbraw/zinc/26/64/35/966266435.db2.gz DWJGRBXOERHTLG-ZDUSSCGKSA-N 1 0 299.378 1.160 20 10 CDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1COCCN1 ZINC001351678887 966976025 /nfs/dbraw/zinc/97/60/25/966976025.db2.gz HYPWVRQXQPSKBH-FRRDWIJNSA-N 1 0 276.380 1.827 20 10 CDCDRO C[C@@H](NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC001353389127 967942494 /nfs/dbraw/zinc/94/24/94/967942494.db2.gz IYEJIQUIZRXLRR-LALPHHSUSA-N 1 0 290.411 1.802 20 10 CDCDRO Nc1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC001356555638 969425706 /nfs/dbraw/zinc/42/57/06/969425706.db2.gz BBUZKFHKOBRVHD-UHFFFAOYSA-N 1 0 288.395 1.695 20 10 CDCDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N)cc1 ZINC001357417841 969583947 /nfs/dbraw/zinc/58/39/47/969583947.db2.gz NMGLTGNVOTZEMV-JTQLQIEISA-N 1 0 250.346 1.018 20 10 CDCDRO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC001576181713 1171349484 /nfs/dbraw/zinc/34/94/84/1171349484.db2.gz QFBJWRKAPRCTRG-LLVKDONJSA-N 1 0 261.369 1.539 20 10 CDCDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(Cl)cc1O ZINC001578797900 1172012236 /nfs/dbraw/zinc/01/22/36/1172012236.db2.gz UKQAZFCEZJJMMN-LBPRGKRZSA-N 1 0 298.770 1.383 20 10 CDCDRO OC1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000020089549 136580061 /nfs/dbraw/zinc/58/00/61/136580061.db2.gz KAXVQMUNSGATPG-UHFFFAOYSA-N 1 0 290.407 1.916 20 10 CDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000020092420 136580405 /nfs/dbraw/zinc/58/04/05/136580405.db2.gz QBQMMJMEPQYOHU-INIZCTEOSA-N 1 0 276.380 1.792 20 10 CDCDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccccc1O ZINC000036781519 356883464 /nfs/dbraw/zinc/88/34/64/356883464.db2.gz LTLYNFMNPCXMHQ-LBPRGKRZSA-N 1 0 250.342 1.958 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000180014656 357236893 /nfs/dbraw/zinc/23/68/93/357236893.db2.gz YRUWJAWYDKGWHS-GFCCVEGCSA-N 1 0 293.363 1.986 20 10 CDCDRO CCC[C@]1(C)C(=O)NCCN1Cc1cccc(OC)c1O ZINC000189038614 357965044 /nfs/dbraw/zinc/96/50/44/357965044.db2.gz YYHPNYPIWWCKAD-MRXNPFEDSA-N 1 0 292.379 1.891 20 10 CDCDRO CCOc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000367669834 358194368 /nfs/dbraw/zinc/19/43/68/358194368.db2.gz LYOSETJOLMZAHB-NSHDSACASA-N 1 0 278.352 1.501 20 10 CDCDRO O=C(NCCC[NH+]1CCCCC1)c1cccc(O)c1O ZINC000192898615 358247693 /nfs/dbraw/zinc/24/76/93/358247693.db2.gz RVEFOBZEPMODQN-UHFFFAOYSA-N 1 0 278.352 1.704 20 10 CDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)ccc1O ZINC000091986938 358534377 /nfs/dbraw/zinc/53/43/77/358534377.db2.gz IXMQTGNSTMSYEK-LLVKDONJSA-N 1 0 251.326 1.942 20 10 CDCDRO C[C@@H]([NH2+]Cc1cnnn1C)c1cc(F)ccc1O ZINC000287459537 359432774 /nfs/dbraw/zinc/43/27/74/359432774.db2.gz VQDJJQUWMVRMCT-MRVPVSSYSA-N 1 0 250.277 1.511 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1 ZINC000280917302 363677509 /nfs/dbraw/zinc/67/75/09/363677509.db2.gz HAMVCUHWIREYCE-JTQLQIEISA-N 1 0 299.392 1.629 20 10 CDCDRO COc1ccc(O)c(C[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000281748556 363837124 /nfs/dbraw/zinc/83/71/24/363837124.db2.gz HPKQOBNTSISLGW-LJQANCHMSA-N 1 0 283.393 1.792 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000580080277 364594123 /nfs/dbraw/zinc/59/41/23/364594123.db2.gz BLLNXCFVEJMTQS-BZNIZROVSA-N 1 0 287.363 1.230 20 10 CDCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167860906 364952893 /nfs/dbraw/zinc/95/28/93/364952893.db2.gz PKYSVOSWZJHZBO-CYBMUJFWSA-N 1 0 275.396 1.886 20 10 CDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c1 ZINC000271377538 364981484 /nfs/dbraw/zinc/98/14/84/364981484.db2.gz RBOIQEVTBPTTIP-XHDPSFHLSA-N 1 0 265.353 1.994 20 10 CDCDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1O ZINC000179887378 364998961 /nfs/dbraw/zinc/99/89/61/364998961.db2.gz MZMOOEWVPCBUKZ-QMMMGPOBSA-N 1 0 276.258 1.721 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000271828032 365001260 /nfs/dbraw/zinc/00/12/60/365001260.db2.gz OHOUSUNVVNVJRG-HNNXBMFYSA-N 1 0 299.367 1.287 20 10 CDCDRO C[N@H+](CCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000272366489 365207609 /nfs/dbraw/zinc/20/76/09/365207609.db2.gz CUXZGJIJNUPMQG-XVNBXDOJSA-N 1 0 276.336 1.321 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272587351 365308922 /nfs/dbraw/zinc/30/89/22/365308922.db2.gz HHVLZHRCWVDHLO-SWLSCSKDSA-N 1 0 276.380 1.927 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000281263335 367614531 /nfs/dbraw/zinc/61/45/31/367614531.db2.gz NJLQLPUVCZIYSN-OLZOCXBDSA-N 1 0 276.336 1.631 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nc(C)n[nH]2)c1 ZINC000273367840 371160942 /nfs/dbraw/zinc/16/09/42/371160942.db2.gz ABJLIJZSEKHKNB-VIFPVBQESA-N 1 0 276.340 1.721 20 10 CDCDRO CC(C)[C@H]1C(=O)NCCN1Cc1cc2c(cc1O)OCO2 ZINC000093055444 390899286 /nfs/dbraw/zinc/89/92/86/390899286.db2.gz ABGDUERHLVBALG-AWEZNQCLSA-N 1 0 292.335 1.077 20 10 CDCDRO CCN(CC)c1ccc(C[N@H+](CCO)CCCO)cc1 ZINC000093324174 390901703 /nfs/dbraw/zinc/90/17/03/390901703.db2.gz IQZXEARSUHLWSZ-UHFFFAOYSA-N 1 0 280.412 1.710 20 10 CDCDRO CN(C)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971012 390915519 /nfs/dbraw/zinc/91/55/19/390915519.db2.gz ARIMWMSSWBEFMN-CQSZACIVSA-N 1 0 292.379 1.461 20 10 CDCDRO CC(C)N(CCS(C)(=O)=O)Cc1ccccc1O ZINC000179581205 391213175 /nfs/dbraw/zinc/21/31/75/391213175.db2.gz QIGRJUARXDYCAG-UHFFFAOYSA-N 1 0 271.382 1.647 20 10 CDCDRO COCC1(O)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000271172104 391290906 /nfs/dbraw/zinc/29/09/06/391290906.db2.gz ICXABMDTZSGDSZ-UHFFFAOYSA-N 1 0 278.396 1.726 20 10 CDCDRO Oc1ccccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000361053449 391678982 /nfs/dbraw/zinc/67/89/82/391678982.db2.gz RKPNMZZNCDQSKM-GOEBONIOSA-N 1 0 276.380 1.423 20 10 CDCDRO COC[C@H](C[NH2+]Cc1ccc(OC)c(C)c1)OC ZINC000227708124 392044522 /nfs/dbraw/zinc/04/45/22/392044522.db2.gz LSOCNADXCUCPAD-ZDUSSCGKSA-N 1 0 253.342 1.755 20 10 CDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cn2cncn2)c1 ZINC000273364273 286339197 /nfs/dbraw/zinc/33/91/97/286339197.db2.gz BBQTUSFAZCXCEH-MNOVXSKESA-N 1 0 276.340 1.732 20 10 CDCDRO C[C@@H]([NH3+])C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000157311785 261144454 /nfs/dbraw/zinc/14/44/54/261144454.db2.gz OTJPBFAIXCMAKA-YPMHNXCESA-N 1 0 278.352 1.247 20 10 CDCDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000159135980 261179662 /nfs/dbraw/zinc/17/96/62/261179662.db2.gz DGDWMQWIEJYODM-UHFFFAOYSA-N 1 0 252.314 1.054 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159823202 261195041 /nfs/dbraw/zinc/19/50/41/261195041.db2.gz JTJUWGJCRBPBTR-UHFFFAOYSA-N 1 0 262.353 1.788 20 10 CDCDRO C[C@H]([NH2+]CCOCCO)c1cc(Cl)ccc1O ZINC000184886663 262032653 /nfs/dbraw/zinc/03/26/53/262032653.db2.gz HHMDBVKLSRJSEJ-VIFPVBQESA-N 1 0 259.733 1.705 20 10 CDCDRO CCOc1cccc(C[NH2+][C@@]2(CO)CCOC2)c1O ZINC000184190284 262272108 /nfs/dbraw/zinc/27/21/08/262272108.db2.gz AKEZPFXIMGSHQO-CQSZACIVSA-N 1 0 267.325 1.032 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000272287935 263003280 /nfs/dbraw/zinc/00/32/80/263003280.db2.gz NTHOJQWQJMMZKZ-LLVKDONJSA-N 1 0 269.366 1.259 20 10 CDCDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccccc1O ZINC000272818272 263009091 /nfs/dbraw/zinc/00/90/91/263009091.db2.gz FJGPBZRYVXKKNR-GXFFZTMASA-N 1 0 261.325 1.510 20 10 CDCDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000271595514 279316749 /nfs/dbraw/zinc/31/67/49/279316749.db2.gz GXUFQWHRVAXMKL-OAHLLOKOSA-N 1 0 291.439 1.905 20 10 CDCDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1C ZINC000378345146 329046932 /nfs/dbraw/zinc/04/69/32/329046932.db2.gz HMQDISFYERBSBG-CYBMUJFWSA-N 1 0 276.336 1.645 20 10 CDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000226607672 333266005 /nfs/dbraw/zinc/26/60/05/333266005.db2.gz OOWAKBVNYSEMQF-KGLIPLIRSA-N 1 0 280.343 1.484 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccccc1O ZINC000530227800 517774368 /nfs/dbraw/zinc/77/43/68/517774368.db2.gz VWEMXEUIVAHANG-DGCLKSJQSA-N 1 0 250.342 1.421 20 10 CDCDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(CO)CC2)c1O ZINC000050131902 518283437 /nfs/dbraw/zinc/28/34/37/518283437.db2.gz PPSLLOQHVKZRFS-UHFFFAOYSA-N 1 0 281.327 1.938 20 10 CDCDRO C1=CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000279613689 518575617 /nfs/dbraw/zinc/57/56/17/518575617.db2.gz AAPPHUDZTRVIPM-UHFFFAOYSA-N 1 0 258.365 1.973 20 10 CDCDRO CC(C)[C@@](C)([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000297727452 519808007 /nfs/dbraw/zinc/80/80/07/519808007.db2.gz SEPBRRWNVOUEBA-OAHLLOKOSA-N 1 0 263.385 1.742 20 10 CDCDRO CCOc1cccc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000280346591 521364258 /nfs/dbraw/zinc/36/42/58/521364258.db2.gz RXVZSJPUMVPPRC-ZIAGYGMSSA-N 1 0 295.379 1.526 20 10 CDCDRO CC[N@@H+]1CCN(Cc2cc(OC)c(OC)cc2O)[C@@H](C)C1 ZINC000289643566 521687845 /nfs/dbraw/zinc/68/78/45/521687845.db2.gz MKHVCQFNICJFFL-LBPRGKRZSA-N 1 0 294.395 1.935 20 10 CDCDRO COC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000290299891 522686761 /nfs/dbraw/zinc/68/67/61/522686761.db2.gz YRAXGWCPHAVCAY-SCZZXKLOSA-N 1 0 259.733 1.704 20 10 CDCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COCC(F)(F)F ZINC000293022978 523385465 /nfs/dbraw/zinc/38/54/65/523385465.db2.gz VNAUUKBYCDWQMV-NSHDSACASA-N 1 0 293.285 1.764 20 10 CDCDRO C[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276501438 523775378 /nfs/dbraw/zinc/77/53/78/523775378.db2.gz HWTGBBVOMKULTJ-UHFFFAOYSA-N 1 0 268.288 1.061 20 10 CDCDRO COc1ccc(C[NH2+]CCCc2cnn(C)n2)cc1C ZINC000293077559 524070148 /nfs/dbraw/zinc/07/01/48/524070148.db2.gz VYYGOFHTFUGTKE-UHFFFAOYSA-N 1 0 274.368 1.855 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2COC[C@@H]2OC)cc1C ZINC000289812510 524094069 /nfs/dbraw/zinc/09/40/69/524094069.db2.gz NEFKPJFHJHWPSA-JSGCOSHPSA-N 1 0 251.326 1.507 20 10 CDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)ccc1O ZINC000093899533 524094187 /nfs/dbraw/zinc/09/41/87/524094187.db2.gz PXOZMAMVSANRDL-LLVKDONJSA-N 1 0 250.342 1.515 20 10 CDCDRO Cc1cccc(C[N@H+](CCO)C2CCOCC2)c1O ZINC000276050869 524380949 /nfs/dbraw/zinc/38/09/49/524380949.db2.gz UJJVMMHWYZSFPY-UHFFFAOYSA-N 1 0 265.353 1.674 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000366554580 524404491 /nfs/dbraw/zinc/40/44/91/524404491.db2.gz MRCOGPUYYLBLAA-GFCCVEGCSA-N 1 0 283.393 1.567 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000367724031 524734421 /nfs/dbraw/zinc/73/44/21/524734421.db2.gz NZXMWGBTGVZEIL-CYBMUJFWSA-N 1 0 278.352 1.501 20 10 CDCDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000279868850 524769355 /nfs/dbraw/zinc/76/93/55/524769355.db2.gz CYTDBLYPDDKZNG-AAEUAGOBSA-N 1 0 293.386 1.896 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCS(=O)(=O)C(C)C)cc1C ZINC000290095747 525323746 /nfs/dbraw/zinc/32/37/46/525323746.db2.gz HKUILMCMULRZOP-UHFFFAOYSA-N 1 0 285.409 1.922 20 10 CDCDRO CS[C@@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000128174692 525808793 /nfs/dbraw/zinc/80/87/93/525808793.db2.gz LVSBGMSEPBNFAM-QMMMGPOBSA-N 1 0 255.339 1.962 20 10 CDCDRO COc1cccc(C[NH2+]Cc2snnc2C)c1O ZINC000291813949 526027335 /nfs/dbraw/zinc/02/73/35/526027335.db2.gz YMLBAYZITIZZJJ-UHFFFAOYSA-N 1 0 265.338 1.851 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCc1ccncc1)OCO2 ZINC000042880185 526336294 /nfs/dbraw/zinc/33/62/94/526336294.db2.gz LIBQXTJGZCIATJ-UHFFFAOYSA-N 1 0 272.304 1.848 20 10 CDCDRO OC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)[C@@H]1CCOC1 ZINC000280243368 527578878 /nfs/dbraw/zinc/57/88/78/527578878.db2.gz IKSOVFFLKVFQAG-GHMZBOCLSA-N 1 0 285.771 1.780 20 10 CDCDRO CC[N@H+](CCNC(=O)C1=CC(=O)CS1)C(C)C ZINC000732283106 575086719 /nfs/dbraw/zinc/08/67/19/575086719.db2.gz XUEXVTOLTBYGPN-UHFFFAOYSA-N 1 0 256.371 1.914 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@H](O)C2CC2)c(O)c1 ZINC000734844603 575386807 /nfs/dbraw/zinc/38/68/07/575386807.db2.gz QKPRTKRKIUWCRR-CQSZACIVSA-N 1 0 251.326 1.651 20 10 CDCDRO CN(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770394988 575445229 /nfs/dbraw/zinc/44/52/29/575445229.db2.gz OHZASDKXAPXTDX-STQMWFEESA-N 1 0 263.360 1.543 20 10 CDCDRO CCNC(=O)C[N@H+](CC)Cc1ccc(OCC)cc1O ZINC000768193322 576263953 /nfs/dbraw/zinc/26/39/53/576263953.db2.gz KGAYRAZWEWQZFD-UHFFFAOYSA-N 1 0 280.368 1.749 20 10 CDCDRO CCOc1ccc(C[NH+]2CCC(C(=O)NC)CC2)c(O)c1 ZINC000768216957 576265153 /nfs/dbraw/zinc/26/51/53/576265153.db2.gz KDUNEEUFJKTBID-UHFFFAOYSA-N 1 0 292.379 1.749 20 10 CDCDRO COC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768446214 576284239 /nfs/dbraw/zinc/28/42/39/576284239.db2.gz LCXPKFKSIRWELT-IINYFYTJSA-N 1 0 279.336 1.286 20 10 CDCDRO CN(Cc1ccnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221261 576561029 /nfs/dbraw/zinc/56/10/29/576561029.db2.gz CTYHPIATJRYDFE-UHFFFAOYSA-N 1 0 288.395 1.997 20 10 CDCDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000761222487 576561337 /nfs/dbraw/zinc/56/13/37/576561337.db2.gz JMTCSJRTPRTJQD-KBPBESRZSA-N 1 0 265.353 1.984 20 10 CDCDRO CN(C)C(=O)NCC[N@H+](C)Cc1ccccc1O ZINC000757864597 577058405 /nfs/dbraw/zinc/05/84/05/577058405.db2.gz IUPFKZSPYNGFHL-UHFFFAOYSA-N 1 0 251.330 1.095 20 10 CDCDRO C[N@H+](CCC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000108245150 598182103 /nfs/dbraw/zinc/18/21/03/598182103.db2.gz WZGVCWNGWSLSIE-UHFFFAOYSA-N 1 0 291.395 1.345 20 10 CDCDRO CO[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891254956 617391672 /nfs/dbraw/zinc/39/16/72/617391672.db2.gz KUMTWZRNRZJUSZ-SWLSCSKDSA-N 1 0 293.411 1.506 20 10 CDCDRO COc1ccc(C[N@H+](C)Cc2cn[nH]c2)c(O)c1OC ZINC000892048733 617443069 /nfs/dbraw/zinc/44/30/69/617443069.db2.gz BCEALGILCSTKRW-UHFFFAOYSA-N 1 0 277.324 1.765 20 10 CDCDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1O ZINC000892092107 617475972 /nfs/dbraw/zinc/47/59/72/617475972.db2.gz INPRBNKSDBJZEV-MDZLAQPJSA-N 1 0 277.368 1.750 20 10 CDCDRO Cn1c(Sc2nccs2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000892583692 617519525 /nfs/dbraw/zinc/51/95/25/617519525.db2.gz YBNXPPAFJPGFEA-MRVPVSSYSA-N 1 0 281.410 1.890 20 10 CDCDRO CC[NH2+]CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000044297736 617581404 /nfs/dbraw/zinc/58/14/04/617581404.db2.gz VMYXEOMZIMVJIU-UHFFFAOYSA-N 1 0 291.395 1.091 20 10 CDCDRO COCCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891819139 617612281 /nfs/dbraw/zinc/61/22/81/617612281.db2.gz UDSJBAYGNBAIMR-UHFFFAOYSA-N 1 0 269.341 1.878 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1OC ZINC000891867276 617692530 /nfs/dbraw/zinc/69/25/30/617692530.db2.gz DIIMQECRASHZOP-JTQLQIEISA-N 1 0 267.325 1.224 20 10 CDCDRO COC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)OC ZINC000893485254 617980039 /nfs/dbraw/zinc/98/00/39/617980039.db2.gz VSEAPDVNLJKNFI-NSHDSACASA-N 1 0 285.340 1.160 20 10 CDCDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000922591193 618276483 /nfs/dbraw/zinc/27/64/83/618276483.db2.gz QNKSJNPACOQMGK-INIZCTEOSA-N 1 0 291.439 1.953 20 10 CDCDRO c1cc(N2CCOCC2)ccc1CN[C@H]1CCC[NH2+]C1 ZINC000841043655 618677595 /nfs/dbraw/zinc/67/75/95/618677595.db2.gz URMHDHISNURBJE-HNNXBMFYSA-N 1 0 275.396 1.365 20 10 CDCDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cncs2)cc1 ZINC000841043575 618678100 /nfs/dbraw/zinc/67/81/00/618678100.db2.gz PKRZCMCVZBDSRW-AWEZNQCLSA-N 1 0 276.409 1.999 20 10 CDCDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000841063976 618679296 /nfs/dbraw/zinc/67/92/96/618679296.db2.gz CYTJNBLIKSPARU-RHSMWYFYSA-N 1 0 289.423 1.753 20 10 CDCDRO COc1c([O-])c(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000843129942 618694306 /nfs/dbraw/zinc/69/43/06/618694306.db2.gz VBENRVGXXFJTRZ-DTWKUNHWSA-N 1 0 283.328 1.524 20 10 CDCDRO COc1cc(C)cc(C[NH2+]C[C@H](O)COCC2CC2)c1O ZINC000894218159 618729990 /nfs/dbraw/zinc/72/99/90/618729990.db2.gz JFIVAZQHSWEZPS-AWEZNQCLSA-N 1 0 295.379 1.586 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCOC[C@@H]2CCOC2)c1O ZINC000894227465 618737825 /nfs/dbraw/zinc/73/78/25/618737825.db2.gz ZHIHQMMATHUMQT-CYBMUJFWSA-N 1 0 295.379 1.852 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCN2CCSCC2)c1O ZINC000894390937 618846673 /nfs/dbraw/zinc/84/66/73/618846673.db2.gz ADYYZMQDTVJICF-UHFFFAOYSA-N 1 0 296.436 1.848 20 10 CDCDRO COc1cc(C)cc(C[N@H+](C)[C@H](CO)COC(C)C)c1O ZINC000894781223 619057461 /nfs/dbraw/zinc/05/74/61/619057461.db2.gz CTAZTFHTGZQVIE-CQSZACIVSA-N 1 0 297.395 1.927 20 10 CDCDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COCO2)cc1 ZINC000894868717 619111051 /nfs/dbraw/zinc/11/10/51/619111051.db2.gz KKARKPFRJYSVLG-HNNXBMFYSA-N 1 0 264.369 1.995 20 10 CDCDRO OC1CCN(c2ccc(C[NH2+]C[C@@H]3COCO3)cc2)CC1 ZINC000894887310 619122954 /nfs/dbraw/zinc/12/29/54/619122954.db2.gz ZUGNYOZZYNOOBR-MRXNPFEDSA-N 1 0 292.379 1.110 20 10 CDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)c1 ZINC000895332628 619571475 /nfs/dbraw/zinc/57/14/75/619571475.db2.gz XBXBMGRAIFLJQR-OCCSQVGLSA-N 1 0 251.326 1.018 20 10 CDCDRO COc1ccc(C[N@@H+]2CCCN(C=O)CC2)c(O)c1OC ZINC000895473820 619684480 /nfs/dbraw/zinc/68/44/80/619684480.db2.gz RRXCMROXHFRLBC-UHFFFAOYSA-N 1 0 294.351 1.074 20 10 CDCDRO COCC1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895976020 619923196 /nfs/dbraw/zinc/92/31/96/619923196.db2.gz KGYCKQHEUOKZQO-UHFFFAOYSA-N 1 0 267.325 1.488 20 10 CDCDRO CCOCc1cc(C[NH2+]CCCON)ccc1OC ZINC000904457673 626301776 /nfs/dbraw/zinc/30/17/76/626301776.db2.gz SQEVSEJGNFQGGV-UHFFFAOYSA-N 1 0 268.357 1.602 20 10 CDCDRO CC[C@@H](CO)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000929820375 631444551 /nfs/dbraw/zinc/44/45/51/631444551.db2.gz CVLUVJIVEMBPIE-LBPRGKRZSA-N 1 0 282.359 1.727 20 10 CDCDRO C[C@H]1CN(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCO1 ZINC000921689603 633183893 /nfs/dbraw/zinc/18/38/93/633183893.db2.gz IXRPWPGHNGLTGG-AWEZNQCLSA-N 1 0 290.407 1.822 20 10 CDCDRO CN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)ccc2O)C1=O ZINC001272386876 1161083624 /nfs/dbraw/zinc/08/36/24/1161083624.db2.gz PELMNUGXLCZGIB-OAHLLOKOSA-N 1 0 276.336 1.295 20 10 CDCDRO CN(Cc1ccccc1O)c1nnc(C2CC2)n1CC[NH3+] ZINC001578496800 1171934529 /nfs/dbraw/zinc/93/45/29/1171934529.db2.gz UIYSDPSJHVQZLO-UHFFFAOYSA-N 1 0 287.367 1.456 20 10 CDCDRO COc1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Cn1cccn1 ZINC001579218197 1172118082 /nfs/dbraw/zinc/11/80/82/1172118082.db2.gz YHVKMHJQQNLZPU-QLPKVWCKSA-N 1 0 298.390 1.247 20 10 CDCDRO O=C(C[C@H]1CCC[NH2+]1)NCc1cccc(Cl)c1O ZINC001580505666 1172456968 /nfs/dbraw/zinc/45/69/68/1172456968.db2.gz IXKGKOHBTLARQY-SNVBAGLBSA-N 1 0 268.744 1.804 20 10 CDCDRO C[N@H+](Cc1cccc(-c2nn[nH]n2)n1)Cc1ccccc1O ZINC001591146343 1173577667 /nfs/dbraw/zinc/57/76/67/1173577667.db2.gz UPOLHIIMPRGNPY-UHFFFAOYSA-N 1 0 296.334 1.599 20 10 CDCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000122769109 1175243980 /nfs/dbraw/zinc/24/39/80/1175243980.db2.gz IHEQYHUXVGIKBU-ZDUSSCGKSA-N 1 0 278.352 1.453 20 10 CDCDRO CC[N@H+](CCNC(=O)c1c(F)ccc(O)c1O)C(C)C ZINC000825688087 711842961 /nfs/dbraw/zinc/84/29/61/711842961.db2.gz DUFPOZGISPJYFG-UHFFFAOYSA-N 1 0 284.331 1.697 20 10 CDCDRO C[N@H+](CC(=O)NCc1ccccc1O)CC(C)(C)C ZINC000821056242 711850625 /nfs/dbraw/zinc/85/06/25/711850625.db2.gz VMMCIBLSGYAUKI-UHFFFAOYSA-N 1 0 264.369 1.986 20 10 CDCDRO Oc1ccccc1CN(Cc1cnon1)C[C@H]1CCCO1 ZINC000851840932 711885785 /nfs/dbraw/zinc/88/57/85/711885785.db2.gz MCLDPDXGICVZTC-CQSZACIVSA-N 1 0 289.335 1.956 20 10 CDCDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccccc1O ZINC000879649262 711895992 /nfs/dbraw/zinc/89/59/92/711895992.db2.gz OOJDXXJOFOUOCT-VXGBXAGGSA-N 1 0 261.325 1.300 20 10 CDCDRO OCCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877483845 711899494 /nfs/dbraw/zinc/89/94/94/711899494.db2.gz QUFBOUACDPONTQ-UHFFFAOYSA-N 1 0 278.396 1.510 20 10 CDCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1=O ZINC000391544986 711903961 /nfs/dbraw/zinc/90/39/61/711903961.db2.gz PNNJKZRFNJSOJB-QWRGUYRKSA-N 1 0 278.352 1.672 20 10 CDCDRO C[C@@H](NC(=O)N1CCC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841880533 711909688 /nfs/dbraw/zinc/90/96/88/711909688.db2.gz BXMHMXAXZARBFE-CYBMUJFWSA-N 1 0 290.411 1.819 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1ccccc1O ZINC000382563267 711911064 /nfs/dbraw/zinc/91/10/64/711911064.db2.gz MQXHDOJWDCUFOA-TZMCWYRMSA-N 1 0 253.342 1.830 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000843433835 711911968 /nfs/dbraw/zinc/91/19/68/711911968.db2.gz DZSRJBXOVYCMKW-UONOGXRCSA-N 1 0 293.363 1.365 20 10 CDCDRO CCc1cccc(C[NH2+]C2(C(=O)NCCOC)CC2)c1O ZINC000848916602 711934069 /nfs/dbraw/zinc/93/40/69/711934069.db2.gz KMEPUQXHNGAYJC-UHFFFAOYSA-N 1 0 292.379 1.339 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000808228324 711934315 /nfs/dbraw/zinc/93/43/15/711934315.db2.gz UAFODRPJZPAZJP-LBPRGKRZSA-N 1 0 262.353 1.706 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC000862758905 711954523 /nfs/dbraw/zinc/95/45/23/711954523.db2.gz QDUXVVZMDNSFKK-UHFFFAOYSA-N 1 0 250.342 1.657 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCN(CCO)C(C)(C)C2)c1O ZINC000848905567 711972965 /nfs/dbraw/zinc/97/29/65/711972965.db2.gz LJVLOFZQCDJTPW-UHFFFAOYSA-N 1 0 292.423 1.843 20 10 CDCDRO C[NH+]1CCN(c2ccc(CNc3ncccn3)cc2)CC1 ZINC000783625069 711972988 /nfs/dbraw/zinc/97/29/88/711972988.db2.gz LELLFOLLZQZUFI-UHFFFAOYSA-N 1 0 283.379 1.841 20 10 CDCDRO COC1(C[NH2+]Cc2cc(C)ccc2O)CCOCC1 ZINC000123195999 711977418 /nfs/dbraw/zinc/97/74/18/711977418.db2.gz VJKBLHFNKQMWKH-UHFFFAOYSA-N 1 0 265.353 1.986 20 10 CDCDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(O)c1O ZINC000819923193 711991662 /nfs/dbraw/zinc/99/16/62/711991662.db2.gz WYOLFXQWVZBJSC-LLVKDONJSA-N 1 0 292.379 1.900 20 10 CDCDRO CN(C)c1ccc([C@@H](N)C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000841046238 712039322 /nfs/dbraw/zinc/03/93/22/712039322.db2.gz YHWWJTOMGYWWJN-CJNGLKHVSA-N 1 0 277.412 1.769 20 10 CDCDRO OCCCN1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000824563997 712131785 /nfs/dbraw/zinc/13/17/85/712131785.db2.gz FDIKVFKMPJXERU-AWEZNQCLSA-N 1 0 282.359 1.468 20 10 CDCDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179586434 712160015 /nfs/dbraw/zinc/16/00/15/712160015.db2.gz UFRHZZXVMWHFOL-CQSZACIVSA-N 1 0 279.336 1.138 20 10 CDCDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)[NH3+] ZINC000399618730 712187182 /nfs/dbraw/zinc/18/71/82/712187182.db2.gz YJJUDVJCUSYODX-FZMZJTMJSA-N 1 0 264.369 1.970 20 10 CDCDRO CCOc1cccc(C[NH2+]CCc2cnccn2)c1O ZINC000390211914 712187804 /nfs/dbraw/zinc/18/78/04/712187804.db2.gz OCJOVMUNKSDVOJ-UHFFFAOYSA-N 1 0 273.336 1.913 20 10 CDCDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000832495877 712200378 /nfs/dbraw/zinc/20/03/78/712200378.db2.gz ITBCLFAORLIPMU-SKFMMRCFSA-N 1 0 290.363 1.710 20 10 CDCDRO COc1cccc(O)c1C[NH2+]Cc1snnc1C ZINC000813790690 712209191 /nfs/dbraw/zinc/20/91/91/712209191.db2.gz ZNXKEDDFSFERJA-UHFFFAOYSA-N 1 0 265.338 1.851 20 10 CDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 ZINC000062801557 712228203 /nfs/dbraw/zinc/22/82/03/712228203.db2.gz RHJZXNCQSOFGFK-UHFFFAOYSA-N 1 0 287.407 1.910 20 10 CDCDRO CCC[NH2+]CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000841961118 712248952 /nfs/dbraw/zinc/24/89/52/712248952.db2.gz LBSJEMKJRAKIAF-UHFFFAOYSA-N 1 0 292.427 1.894 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c1 ZINC000817961847 712274759 /nfs/dbraw/zinc/27/47/59/712274759.db2.gz DOSBEZKGQHUCGR-UWVGGRQHSA-N 1 0 266.341 1.424 20 10 CDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1O ZINC000846154270 712340429 /nfs/dbraw/zinc/34/04/29/712340429.db2.gz MSYWKVYSUOLLNA-VHSXEESVSA-N 1 0 266.341 1.528 20 10 CDCDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC(C)(C)CO ZINC000824630185 712367583 /nfs/dbraw/zinc/36/75/83/712367583.db2.gz KLTURLYXFQAJJQ-UHFFFAOYSA-N 1 0 292.423 1.974 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(C)=O)C2)cc1C ZINC001021751173 712379752 /nfs/dbraw/zinc/37/97/52/712379752.db2.gz DRPRJGBIGGQOEH-OKILXGFUSA-N 1 0 262.353 1.760 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000817412270 712380604 /nfs/dbraw/zinc/38/06/04/712380604.db2.gz HMOXKOWUZKHURU-RYUDHWBXSA-N 1 0 265.353 1.851 20 10 CDCDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)c1O ZINC000848900024 712381597 /nfs/dbraw/zinc/38/15/97/712381597.db2.gz WZDKYGALTNGOPY-UONOGXRCSA-N 1 0 276.380 1.959 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000850388806 712393965 /nfs/dbraw/zinc/39/39/65/712393965.db2.gz PWDXXZMTQVNIRH-GFCCVEGCSA-N 1 0 265.353 1.899 20 10 CDCDRO Cn1cc(/C=C\C(=O)N2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000818551547 712416927 /nfs/dbraw/zinc/41/69/27/712416927.db2.gz GUVFNHQHPHCYES-ALCCZGGFSA-N 1 0 296.374 1.871 20 10 CDCDRO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000704316600 712417053 /nfs/dbraw/zinc/41/70/53/712417053.db2.gz RATRWSNNJISSIQ-LLVKDONJSA-N 1 0 268.744 1.756 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000846107491 712417281 /nfs/dbraw/zinc/41/72/81/712417281.db2.gz JHFDWFQTCZWYRV-MLGOLLRUSA-N 1 0 295.379 1.983 20 10 CDCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](C)CO)cc1 ZINC000844400335 712417943 /nfs/dbraw/zinc/41/79/43/712417943.db2.gz AIWQHLGUFSCENB-ZDUSSCGKSA-N 1 0 266.385 1.692 20 10 CDCDRO CCOc1ccc(C[NH2+]CC2(C(=O)OC)CC2)c(O)c1 ZINC000777222809 712420303 /nfs/dbraw/zinc/42/03/03/712420303.db2.gz SWQGERUVGBQSDP-UHFFFAOYSA-N 1 0 279.336 1.834 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)C[NH3+])c1 ZINC000841961361 712424787 /nfs/dbraw/zinc/42/47/87/712424787.db2.gz AJDDOJYNNCFJJR-VHSXEESVSA-N 1 0 281.356 1.356 20 10 CDCDRO C[N@H+](CC[S@](C)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000827336703 712433329 /nfs/dbraw/zinc/43/33/29/712433329.db2.gz LMQQUIKMJLPYSD-FQEVSTJZSA-N 1 0 296.436 1.334 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2cnc3n2CCC3)c1 ZINC000719851881 712435184 /nfs/dbraw/zinc/43/51/84/712435184.db2.gz PESLSFXLKJABFU-UHFFFAOYSA-N 1 0 273.336 1.833 20 10 CDCDRO CC(=O)c1cc(F)cc(Cn2cc([C@H](C)[NH3+])nn2)c1O ZINC000880995958 712449467 /nfs/dbraw/zinc/44/94/67/712449467.db2.gz JUOSHAGHFZVSAR-ZETCQYMHSA-N 1 0 278.287 1.393 20 10 CDCDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834903913 712461434 /nfs/dbraw/zinc/46/14/34/712461434.db2.gz LJBSXDOYOOYIIW-OUCADQQQSA-N 1 0 263.337 1.773 20 10 CDCDRO Nc1ccc(NC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000841297943 712465175 /nfs/dbraw/zinc/46/51/75/712465175.db2.gz VXNBKNNYBPEIGF-UHFFFAOYSA-N 1 0 260.341 1.652 20 10 CDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000839636669 712477378 /nfs/dbraw/zinc/47/73/78/712477378.db2.gz TZNSCCVKUTWYLY-AWEZNQCLSA-N 1 0 275.396 1.663 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000842005691 712489190 /nfs/dbraw/zinc/48/91/90/712489190.db2.gz JMJOSTDDWSMPPG-ZJUUUORDSA-N 1 0 281.356 1.498 20 10 CDCDRO COc1ccc(N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000877911653 712489853 /nfs/dbraw/zinc/48/98/53/712489853.db2.gz BYNIOKLWRZRIMS-UHFFFAOYSA-N 1 0 298.390 1.850 20 10 CDCDRO F[C@@H]1C[NH2+][C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000841077857 712490619 /nfs/dbraw/zinc/49/06/19/712490619.db2.gz DQINRUVVVQQURT-STQMWFEESA-N 1 0 250.317 1.411 20 10 CDCDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1O ZINC000775137040 712682791 /nfs/dbraw/zinc/68/27/91/712682791.db2.gz QOYDMRARHJJPFB-WCQYABFASA-N 1 0 265.353 1.830 20 10 CDCDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000171842865 712701940 /nfs/dbraw/zinc/70/19/40/712701940.db2.gz QQBHAHLKVXMVOF-CQSZACIVSA-N 1 0 267.325 1.618 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC000775681667 712702728 /nfs/dbraw/zinc/70/27/28/712702728.db2.gz QLDISUGDMRUPRI-GFCCVEGCSA-N 1 0 265.353 1.995 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000876965519 712723790 /nfs/dbraw/zinc/72/37/90/712723790.db2.gz DZOZYSMANWIDMQ-ZDUSSCGKSA-N 1 0 264.369 1.247 20 10 CDCDRO COc1cccc(C[N@H+](C)C2(CO)CCOCC2)c1O ZINC000827908122 712731265 /nfs/dbraw/zinc/73/12/65/712731265.db2.gz KXZGEHHLRFJVNG-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO C[C@@H](NC(=O)N[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000841881648 712731588 /nfs/dbraw/zinc/73/15/88/712731588.db2.gz UCASCIIOKIVGPI-WDEREUQCSA-N 1 0 264.373 1.460 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000877629561 712733710 /nfs/dbraw/zinc/73/37/10/712733710.db2.gz VRHYTCKAYJNADX-JSGCOSHPSA-N 1 0 274.364 1.801 20 10 CDCDRO CN(Cc1ccc(N2CCOCC2)c(F)c1)C1C[NH2+]C1 ZINC000843124957 712736451 /nfs/dbraw/zinc/73/64/51/712736451.db2.gz RJVHCOBUBIHMGV-UHFFFAOYSA-N 1 0 279.359 1.066 20 10 CDCDRO C[C@H]([NH2+]CCOCC[NH+](C)C)c1c([O-])cccc1F ZINC000886599062 712756091 /nfs/dbraw/zinc/75/60/91/712756091.db2.gz PZMRQNQWLDHDCX-NSHDSACASA-N 1 0 270.348 1.760 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000828666194 712767484 /nfs/dbraw/zinc/76/74/84/712767484.db2.gz BOVFGMVJAZILBK-BONVTDFDSA-N 1 0 278.352 1.578 20 10 CDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000780787246 712782219 /nfs/dbraw/zinc/78/22/19/712782219.db2.gz TWOHPQDKDGQOPD-QWRGUYRKSA-N 1 0 251.326 1.604 20 10 CDCDRO COc1cccc(O)c1C[NH+]1CCC(CO)(OC)CC1 ZINC000775203263 712782504 /nfs/dbraw/zinc/78/25/04/712782504.db2.gz BYNBUCVRZOCEGZ-UHFFFAOYSA-N 1 0 281.352 1.374 20 10 CDCDRO COCCO[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000188909910 712786848 /nfs/dbraw/zinc/78/68/48/712786848.db2.gz POEJHGCEALBASG-CQSZACIVSA-N 1 0 295.379 1.947 20 10 CDCDRO Cc1cc(N(C)C)ccc1CN1CCC([NH2+]CCO)CC1 ZINC000873217961 712797109 /nfs/dbraw/zinc/79/71/09/712797109.db2.gz VXWRHMZGKXUMTQ-UHFFFAOYSA-N 1 0 291.439 1.607 20 10 CDCDRO C[C@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccccc1O ZINC000870988705 1165249151 /nfs/dbraw/zinc/24/91/51/1165249151.db2.gz XLSFQFGZUPVCFZ-ZANVPECISA-N 1 0 252.289 1.271 20 10 CDCDRO C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000874252061 1165615672 /nfs/dbraw/zinc/61/56/72/1165615672.db2.gz VYISTAVCJJRKKW-SNVBAGLBSA-N 1 0 267.348 1.458 20 10 CDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)NCCF)cc1Cl ZINC000825773988 1165711162 /nfs/dbraw/zinc/71/11/62/1165711162.db2.gz SKIOIPYUEOIQMJ-VIFPVBQESA-N 1 0 288.750 1.918 20 10 CDCDRO COc1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1C ZINC000037270004 1165762819 /nfs/dbraw/zinc/76/28/19/1165762819.db2.gz CTUJSZZSDWWKDO-UHFFFAOYSA-N 1 0 283.393 1.670 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000877488947 1166046186 /nfs/dbraw/zinc/04/61/86/1166046186.db2.gz QMJITVYWTMJVRF-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO Cc1ccc(C)c(C[N@@H+]2CCNC(=O)C2(C)C)c1O ZINC001140179789 895205236 /nfs/dbraw/zinc/20/52/36/895205236.db2.gz PBTKSDKFZVTQLS-UHFFFAOYSA-N 1 0 262.353 1.719 20 10 CDCDRO CCC[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000050145949 895519127 /nfs/dbraw/zinc/51/91/27/895519127.db2.gz UZOWFTCSWOQSMD-UHFFFAOYSA-N 1 0 269.316 1.938 20 10 CDCDRO CCOc1cccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1O ZINC000299913812 900273891 /nfs/dbraw/zinc/27/38/91/900273891.db2.gz DWZFUJYCHUEIES-GXTWGEPZSA-N 1 0 276.380 1.975 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000236849562 901605727 /nfs/dbraw/zinc/60/57/27/901605727.db2.gz VLMGOGHQJLLZNU-CYBMUJFWSA-N 1 0 294.395 1.601 20 10 CDCDRO COC(=O)c1c(C[N@H+](C)CCO)c2ccccc2n1C ZINC001236255860 914829309 /nfs/dbraw/zinc/82/93/09/914829309.db2.gz IRZIWTAXFBGHCH-UHFFFAOYSA-N 1 0 276.336 1.389 20 10 CDCDRO CCN(CC)c1ccc(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001204979750 905481857 /nfs/dbraw/zinc/48/18/57/905481857.db2.gz NLTLNMWNPCVWBE-UHFFFAOYSA-N 1 0 263.385 1.771 20 10 CDCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933075 906714936 /nfs/dbraw/zinc/71/49/36/906714936.db2.gz FCFBKHRCRNBOHS-OAHLLOKOSA-N 1 0 266.385 1.548 20 10 CDCDRO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000922055264 921260434 /nfs/dbraw/zinc/26/04/34/921260434.db2.gz OGTAQPLCLBKDRX-IUODEOHRSA-N 1 0 290.411 1.817 20 10 CDCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000323470483 909249433 /nfs/dbraw/zinc/24/94/33/909249433.db2.gz XLONPFJBMSXHSQ-GDLCADMTSA-N 1 0 250.342 1.163 20 10 CDCDRO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)[C@@H]1CN(C)CCO1 ZINC000129234843 910793916 /nfs/dbraw/zinc/79/39/16/910793916.db2.gz QTOJDDIYJIVVAU-YGRLFVJLSA-N 1 0 284.787 1.854 20 10 CDCDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001172597934 911763235 /nfs/dbraw/zinc/76/32/35/911763235.db2.gz PCHWSNNSUCQSPN-NWDGAFQWSA-N 1 0 279.336 1.919 20 10 CDCDRO [NH3+][C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC[C@@H]1F ZINC001206187335 912138580 /nfs/dbraw/zinc/13/85/80/912138580.db2.gz SSSPQMHCIAMTEH-NWDGAFQWSA-N 1 0 282.315 1.352 20 10 CDCDRO CN(C)c1ccc(/C=C/C(=O)n2cnc(C[NH3+])cc2=N)cc1 ZINC001180129672 916147841 /nfs/dbraw/zinc/14/78/41/916147841.db2.gz BSSAFVCAZJPWSP-DARIYRHSSA-N 1 0 297.362 1.241 20 10 CDCDRO CC(C)(O)C[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137841664 936419977 /nfs/dbraw/zinc/41/99/77/936419977.db2.gz OVWBALNVUITDAG-UHFFFAOYSA-N 1 0 282.359 1.420 20 10 CDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001237486227 917441541 /nfs/dbraw/zinc/44/15/41/917441541.db2.gz YQCWUOXOZPWALJ-LSDHHAIUSA-N 1 0 265.353 1.266 20 10 CDCDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185330886 917888289 /nfs/dbraw/zinc/88/82/89/917888289.db2.gz XMQOYEOSJCBSJB-SNVBAGLBSA-N 1 0 287.381 1.486 20 10 CDCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2COCCO2)c1 ZINC000827141792 936493206 /nfs/dbraw/zinc/49/32/06/936493206.db2.gz XRWNVVHSEMDVJV-CYBMUJFWSA-N 1 0 267.325 1.248 20 10 CDCDRO C[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293389 936572363 /nfs/dbraw/zinc/57/23/63/936572363.db2.gz VUEHUULGVAHJRP-LERXQTSPSA-N 1 0 261.369 1.525 20 10 CDCDRO CCOc1ccc(C[NH2+]C2([C@H](C)O)CC2)c(O)c1 ZINC000827579520 936600424 /nfs/dbraw/zinc/60/04/24/936600424.db2.gz FLKXTRPWOAYNDR-JTQLQIEISA-N 1 0 251.326 1.794 20 10 CDCDRO COc1cc(CN2CC(C)(CO)C2)cc(C[NH+](C)C)c1O ZINC001139253488 936611730 /nfs/dbraw/zinc/61/17/30/936611730.db2.gz VSXNHNDVHUPLOW-UHFFFAOYSA-N 1 0 294.395 1.277 20 10 CDCDRO COc1cc(CN2CCO[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139254291 936611756 /nfs/dbraw/zinc/61/17/56/936611756.db2.gz FRQVQUPDOYUNSO-LBPRGKRZSA-N 1 0 294.395 1.683 20 10 CDCDRO COCC[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000775034980 920100303 /nfs/dbraw/zinc/10/03/03/920100303.db2.gz VRMQEHIRNGXTOG-OAHLLOKOSA-N 1 0 295.335 1.406 20 10 CDCDRO Cc1cc(CN2CC[N@@H+]3CC[C@@H]3C2)ccc1N(C)C ZINC001139674205 936634856 /nfs/dbraw/zinc/63/48/56/936634856.db2.gz OZOIGXREVAVGAE-OAHLLOKOSA-N 1 0 259.397 1.951 20 10 CDCDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](C)O ZINC000387397262 936638901 /nfs/dbraw/zinc/63/89/01/936638901.db2.gz KXCHLWAOLQNJJK-WCBMZHEXSA-N 1 0 253.298 1.370 20 10 CDCDRO [O-]c1cc(F)cc(F)c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140585327 936728252 /nfs/dbraw/zinc/72/82/52/936728252.db2.gz FOXKHWQADWMBPD-JTQLQIEISA-N 1 0 254.280 1.560 20 10 CDCDRO CO[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660405 936736343 /nfs/dbraw/zinc/73/63/43/936736343.db2.gz QQZMHUHWJYFQBS-HNNXBMFYSA-N 1 0 294.370 1.883 20 10 CDCDRO Cc1c(O)ccc(C[N@H+]2CCOC[C@@H](C)C2)c1O ZINC001140742384 936748133 /nfs/dbraw/zinc/74/81/33/936748133.db2.gz MINWAUXJHSIUEK-JTQLQIEISA-N 1 0 251.326 1.875 20 10 CDCDRO COC[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744464 936749144 /nfs/dbraw/zinc/74/91/44/936749144.db2.gz YKJCLFKITLPJFE-LLVKDONJSA-N 1 0 251.326 1.875 20 10 CDCDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(O)c(C)c2O)C1 ZINC001140749584 936749836 /nfs/dbraw/zinc/74/98/36/936749836.db2.gz FSBNSKDFMIQTPL-CQSZACIVSA-N 1 0 292.379 1.849 20 10 CDCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(O)c1 ZINC001140850294 936764289 /nfs/dbraw/zinc/76/42/89/936764289.db2.gz ILOXHXLPNYUAOH-XJKSGUPXSA-N 1 0 294.395 1.023 20 10 CDCDRO Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c(O)c1 ZINC001140948139 936782546 /nfs/dbraw/zinc/78/25/46/936782546.db2.gz VHUJWHPOYDFOLQ-OLZOCXBDSA-N 1 0 253.317 1.995 20 10 CDCDRO Cc1ccc(C[N@H+]2CCc3c(cnn3C)C2)c(O)c1 ZINC001140957693 936784232 /nfs/dbraw/zinc/78/42/32/936784232.db2.gz JMGAVOVKXUSHQC-UHFFFAOYSA-N 1 0 257.337 1.992 20 10 CDCDRO COc1cc(O)c(CN2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC001141031968 936795505 /nfs/dbraw/zinc/79/55/05/936795505.db2.gz OSPNMKVDJHJQKW-UHFFFAOYSA-N 1 0 294.395 1.935 20 10 CDCDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156774 936821563 /nfs/dbraw/zinc/82/15/63/936821563.db2.gz URRIRJIRXQSXEK-LBPRGKRZSA-N 1 0 291.269 1.845 20 10 CDCDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)N1 ZINC001141159584 936822030 /nfs/dbraw/zinc/82/20/30/936822030.db2.gz HIUNQOMCMRNFTD-MRXNPFEDSA-N 1 0 290.363 1.733 20 10 CDCDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160984 936823109 /nfs/dbraw/zinc/82/31/09/936823109.db2.gz LPUHGBPWVUZOAZ-GVXVVHGQSA-N 1 0 291.347 1.871 20 10 CDCDRO CCOCCOCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000922940624 923378449 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ZINC000779176636 934461878 /nfs/dbraw/zinc/46/18/78/934461878.db2.gz OHCALLKWKUSQGH-UHFFFAOYSA-N 1 0 266.316 1.680 20 10 CDCDRO CCc1cccc(C[N@H+](C)CCNC(C)=O)c1O ZINC000692108728 934462111 /nfs/dbraw/zinc/46/21/11/934462111.db2.gz IMYQXQYFZRPOQY-UHFFFAOYSA-N 1 0 250.342 1.523 20 10 CDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779522770 934593417 /nfs/dbraw/zinc/59/34/17/934593417.db2.gz VHJHLFYJGFVJCM-HOSRBBHYSA-N 1 0 276.336 1.321 20 10 CDCDRO OC[C@@]1(F)CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000802660997 936056561 /nfs/dbraw/zinc/05/65/61/936056561.db2.gz CPWLCLQHNCBFMQ-MRXNPFEDSA-N 1 0 294.370 1.430 20 10 CDCDRO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)Cc1ccc(N)cc1 ZINC001157848711 938554742 /nfs/dbraw/zinc/55/47/42/938554742.db2.gz PFHJVSJBPBOBBE-YPMHNXCESA-N 1 0 261.369 1.397 20 10 CDCDRO Nc1ccc(Nc2cccnc2N2CC[C@@H]([NH3+])C2)cc1 ZINC001159328981 938722334 /nfs/dbraw/zinc/72/23/34/938722334.db2.gz RBWWHMQNFIBRRH-GFCCVEGCSA-N 1 0 269.352 1.945 20 10 CDCDRO C[C@]1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CCC[NH2+]1 ZINC001160924650 938844794 /nfs/dbraw/zinc/84/47/94/938844794.db2.gz NFOAUFLSJTZBEI-MRXNPFEDSA-N 1 0 290.363 1.515 20 10 CDCDRO CC(C)[N@H+](C)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC001161051623 938865387 /nfs/dbraw/zinc/86/53/87/938865387.db2.gz XDNZGVSRFPXNJM-HNNXBMFYSA-N 1 0 275.396 1.752 20 10 CDCDRO [NH3+]CCN(c1ccc(F)cc1)c1cc2c(cn1)NC(=O)C2 ZINC001161877684 938939114 /nfs/dbraw/zinc/93/91/14/938939114.db2.gz QKIRZNAEMQXLFU-UHFFFAOYSA-N 1 0 286.310 1.812 20 10 CDCDRO [NH3+][C@@H]1Cc2ccccc2N(c2cc3c(cn2)C(=O)NCC3)C1 ZINC001162854802 939154563 /nfs/dbraw/zinc/15/45/63/939154563.db2.gz QXQHZSAYOUKMRJ-CYBMUJFWSA-N 1 0 294.358 1.389 20 10 CDCDRO CN1CCCc2cc(CN3CC(C)(C[NH3+])C3)ccc21 ZINC001206718268 939638827 /nfs/dbraw/zinc/63/88/27/939638827.db2.gz NQXAMPAWBJDHCU-UHFFFAOYSA-N 1 0 259.397 1.850 20 10 CDCDRO COC[C@@H]1C[N@H+](Cc2ccccc2O)Cc2cn(C)nc21 ZINC001203551727 939692965 /nfs/dbraw/zinc/69/29/65/939692965.db2.gz LRDKDAKQYICCCI-AWEZNQCLSA-N 1 0 287.363 1.872 20 10 CDCDRO COc1ccc(C[N@@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001203621565 939697377 /nfs/dbraw/zinc/69/73/77/939697377.db2.gz XLSZJOYCKKRPQZ-LBPRGKRZSA-N 1 0 251.326 1.748 20 10 CDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)cc2O)CC12CC2 ZINC001203635389 939698933 /nfs/dbraw/zinc/69/89/33/939698933.db2.gz RYNPDLSLPIMOOC-ZDUSSCGKSA-N 1 0 291.347 1.786 20 10 CDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c1 ZINC001203670477 939700190 /nfs/dbraw/zinc/70/01/90/939700190.db2.gz RVDAQZWCSIGHOH-RISCZKNCSA-N 1 0 265.353 1.994 20 10 CDCDRO CC[NH+]1C[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203883294 939711581 /nfs/dbraw/zinc/71/15/81/939711581.db2.gz HHBVQJDWRQIXFS-CHWSQXEVSA-N 1 0 262.353 1.481 20 10 CDCDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882517 939711650 /nfs/dbraw/zinc/71/16/50/939711650.db2.gz KDKNHRQVIORHDN-PWSUYJOCSA-N 1 0 279.336 1.729 20 10 CDCDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882715 939711683 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254.261 1.072 20 10 CDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CCOC[C@H]1O ZINC001330697724 956573999 /nfs/dbraw/zinc/57/39/99/956573999.db2.gz LEIJAVVZKPJLEM-KZVDOYCCSA-N 1 0 277.364 1.988 20 10 CDCDRO CCCCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC001333055039 958046464 /nfs/dbraw/zinc/04/64/64/958046464.db2.gz ZGDAQERIPNJENM-LLVKDONJSA-N 1 0 250.342 1.959 20 10 CDCDRO COc1ccc(C[NH2+]CC(=O)NCC(C)C)c(O)c1OC ZINC001334170347 958902818 /nfs/dbraw/zinc/90/28/18/958902818.db2.gz ZSTUNQYLJCQTEQ-UHFFFAOYSA-N 1 0 296.367 1.271 20 10 CDCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1OC ZINC001321868623 959995403 /nfs/dbraw/zinc/99/54/03/959995403.db2.gz SDUINWVGTLBBMX-JQWIXIFHSA-N 1 0 279.336 1.832 20 10 CDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccc(N)cc1 ZINC001336290220 960289109 /nfs/dbraw/zinc/28/91/09/960289109.db2.gz KCUWQIFZBHBZCU-WDEREUQCSA-N 1 0 262.357 1.161 20 10 CDCDRO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc(F)ccc1O ZINC001342388699 963728045 /nfs/dbraw/zinc/72/80/45/963728045.db2.gz BWWMTLVFJBWATF-GFCCVEGCSA-N 1 0 296.386 1.886 20 10 CDCDRO CSCC[C@H]([NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001342700570 963801932 /nfs/dbraw/zinc/80/19/32/963801932.db2.gz SZHNGWICWYPWPJ-LBPRGKRZSA-N 1 0 267.398 1.356 20 10 CDCDRO COC(=O)CC1([NH2+]Cc2ccc(N)cc2)CCOCC1 ZINC001345160653 964611479 /nfs/dbraw/zinc/61/14/79/964611479.db2.gz XAWIABYJXUNWET-UHFFFAOYSA-N 1 0 278.352 1.471 20 10 CDCDRO CCc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000848912397 969350159 /nfs/dbraw/zinc/35/01/59/969350159.db2.gz QMPYTHAVHRNJQB-NSHDSACASA-N 1 0 262.353 1.665 20 10 CDCDRO COc1ccc(CNC(=[NH2+])NCC2CCC2)c(O)c1 ZINC000849025242 969414284 /nfs/dbraw/zinc/41/42/84/969414284.db2.gz VPFFRTDHUFPSGN-UHFFFAOYSA-N 1 0 263.341 1.815 20 10 CDCDRO CSCC[C@H]([NH3+])CC(=O)N(C)c1ccc(N)cc1 ZINC001357946177 969671816 /nfs/dbraw/zinc/67/18/16/969671816.db2.gz VDZFDIIVMPNLQN-NSHDSACASA-N 1 0 267.398 1.702 20 10 CDCDRO C[C@@H](NC(=O)NC[C@@H]1CC[NH2+]1)c1ccc(N(C)C)cc1 ZINC001576207511 1171359348 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CCS(=O)(=O)CCN(C)Cc1cc(OC)ccc1O ZINC000180422492 342537803 /nfs/dbraw/zinc/53/78/03/342537803.db2.gz YSOZTKUQAWXDNZ-UHFFFAOYSA-N 1 0 287.381 1.267 20 10 CDCDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000295120424 199355857 /nfs/dbraw/zinc/35/58/57/199355857.db2.gz WMSJPHAKWQMIQD-MRXNPFEDSA-N 1 0 293.363 1.712 20 10 CDCDRO COCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000283941887 362704554 /nfs/dbraw/zinc/70/45/54/362704554.db2.gz JRMJYFVDORABSN-UHFFFAOYSA-N 1 0 265.309 1.780 20 10 CDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(C)cc1O ZINC000295994406 199746940 /nfs/dbraw/zinc/74/69/40/199746940.db2.gz PVUAAFKAZJJYQO-YRGRVCCFSA-N 1 0 251.326 1.501 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCN(C[C@@H](C)O)CC2)cc1C ZINC000188725142 357931108 /nfs/dbraw/zinc/93/11/08/357931108.db2.gz DEELMIRVPXKEFB-CQSZACIVSA-N 1 0 278.396 1.507 20 10 CDCDRO COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(F)ccc1O ZINC000188787863 357937266 /nfs/dbraw/zinc/93/72/66/357937266.db2.gz YPGUNYQQPGBQBA-CHWSQXEVSA-N 1 0 283.299 1.030 20 10 CDCDRO C[C@@H](CCCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000294884328 199230425 /nfs/dbraw/zinc/23/04/25/199230425.db2.gz VVHMOVUTZQNYOJ-JTQLQIEISA-N 1 0 267.325 1.619 20 10 CDCDRO COc1ccc(O)c(C[N@@H+](CC(N)=O)CC(C)C)c1 ZINC000132899494 358585580 /nfs/dbraw/zinc/58/55/80/358585580.db2.gz SCHNNFLTPIZKFE-UHFFFAOYSA-N 1 0 266.341 1.344 20 10 CDCDRO CCOc1cccc(C[N@H+](CCO)C2CC2)c1O ZINC000271094154 364919368 /nfs/dbraw/zinc/91/93/68/364919368.db2.gz XVVCWSTZZDRPPK-UHFFFAOYSA-N 1 0 251.326 1.748 20 10 CDCDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCOC2)cc1OC ZINC000271802926 364999353 /nfs/dbraw/zinc/99/93/53/364999353.db2.gz JDRPCWCDUKYDGW-AWEZNQCLSA-N 1 0 267.325 1.678 20 10 CDCDRO COc1cc([N+](=O)[O-])c(N2CC([NH+](C)C)C2)cc1OC ZINC000271710412 364994547 /nfs/dbraw/zinc/99/45/47/364994547.db2.gz GPSQORHZEMETJS-UHFFFAOYSA-N 1 0 281.312 1.362 20 10 CDCDRO Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)c(O)c1O ZINC000272703412 365357641 /nfs/dbraw/zinc/35/76/41/365357641.db2.gz ZNFFZNVSBUPMSP-UHFFFAOYSA-N 1 0 266.341 1.476 20 10 CDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1C ZINC000273578095 365508760 /nfs/dbraw/zinc/50/87/60/365508760.db2.gz MDVGDMLHNYJAIR-RYUDHWBXSA-N 1 0 262.353 1.890 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000273584275 365510783 /nfs/dbraw/zinc/51/07/83/365510783.db2.gz NIGJHMANOVRCLA-STQMWFEESA-N 1 0 294.395 1.772 20 10 CDCDRO CC(C)C(=O)NCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295950196 371402765 /nfs/dbraw/zinc/40/27/65/371402765.db2.gz LLORSJGAXTVDFU-LBPRGKRZSA-N 1 0 262.353 1.741 20 10 CDCDRO Oc1cccc2c1[C@H]([NH2+]CCCN1CCC(O)CC1)CC2 ZINC000295939453 378702669 /nfs/dbraw/zinc/70/26/69/378702669.db2.gz KVNHNMRMZMNGOT-OAHLLOKOSA-N 1 0 290.407 1.816 20 10 CDCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)C[NH+](C)C ZINC000293735603 390169110 /nfs/dbraw/zinc/16/91/10/390169110.db2.gz KZEMALQMYHHNPJ-VIFPVBQESA-N 1 0 252.314 1.025 20 10 CDCDRO OC[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000151396672 390965648 /nfs/dbraw/zinc/96/56/48/390965648.db2.gz 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ZINC000129334455 1158975202 /nfs/dbraw/zinc/97/52/02/1158975202.db2.gz PVPYNWOGTUGFCP-HNNXBMFYSA-N 1 0 282.343 1.723 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)c1 ZINC000809972079 1163131795 /nfs/dbraw/zinc/13/17/95/1163131795.db2.gz QHFBJHVEBPQARM-YPMHNXCESA-N 1 0 294.395 1.507 20 10 CDCDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000701668425 1161509129 /nfs/dbraw/zinc/50/91/29/1161509129.db2.gz IVBDLDFBYGVLNO-VIFPVBQESA-N 1 0 270.304 1.880 20 10 CDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000865662858 1164677552 /nfs/dbraw/zinc/67/75/52/1164677552.db2.gz KTURHWATQIXCLP-KLPPZKSPSA-N 1 0 251.326 1.651 20 10 CDCDRO Cc1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c1 ZINC000877471855 1166045104 /nfs/dbraw/zinc/04/51/04/1166045104.db2.gz CFIAIDZFPAHLBA-AWEZNQCLSA-N 1 0 274.364 1.897 20 10 CDCDRO C[C@H]1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C[NH2+]1 ZINC001576666340 1171483654 /nfs/dbraw/zinc/48/36/54/1171483654.db2.gz MOMBSSSLJRMVTC-GXSJLCMTSA-N 1 0 297.786 1.985 20 10 CDCDRO [NH3+]C[C@@]12CC[C@@H]1CCN2Cc1cc(F)c(F)cc1O ZINC001580253231 1172385433 /nfs/dbraw/zinc/38/54/33/1172385433.db2.gz JHVVDLYWXSRJTE-YGRLFVJLSA-N 1 0 268.307 1.984 20 10 CDCDRO Nc1ccc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1 ZINC001580445773 1172437958 /nfs/dbraw/zinc/43/79/58/1172437958.db2.gz VKJHCWCZELQXLD-OAHLLOKOSA-N 1 0 267.332 1.922 20 10 CDCDRO O=C(NCc1cc(Cl)ccc1O)C1(F)CC[NH2+]CC1 ZINC001580708691 1172519504 /nfs/dbraw/zinc/51/95/04/1172519504.db2.gz ZLMZSLUTUCWDOI-UHFFFAOYSA-N 1 0 286.734 1.754 20 10 CDCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cn2)c1 ZINC001592186032 1173831122 /nfs/dbraw/zinc/83/11/22/1173831122.db2.gz HHYWVUJIQBPZMK-UHFFFAOYSA-N 1 0 296.334 1.566 20 10 CDCDRO CN1CCCc2cc(CN3CCC[C@@H]3C[NH3+])ccc21 ZINC000131416105 1175783633 /nfs/dbraw/zinc/78/36/33/1175783633.db2.gz ZGGZJZAPFGGNMT-OAHLLOKOSA-N 1 0 259.397 1.992 20 10 CDCDRO COc1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)c(O)c1 ZINC000133286109 1175803828 /nfs/dbraw/zinc/80/38/28/1175803828.db2.gz AHOKLCILUXSLOB-UHFFFAOYSA-N 1 0 278.352 1.455 20 10 CDCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)COC(C)C ZINC001252680174 1164986935 /nfs/dbraw/zinc/98/69/35/1164986935.db2.gz PJDPWJRWWCCUJJ-CQSZACIVSA-N 1 0 267.369 2.000 20 10 CDCDRO COc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000873217896 1165526065 /nfs/dbraw/zinc/52/60/65/1165526065.db2.gz UCZQRZXIUNGCNF-TXEJJXNPSA-N 1 0 278.352 1.346 20 10 CDCDRO CC[N@H+](CC(=O)N(C)C)Cc1c(C)cccc1O ZINC000876577762 1165873621 /nfs/dbraw/zinc/87/36/21/1165873621.db2.gz NIJXZGOPOBQAMS-UHFFFAOYSA-N 1 0 250.342 1.611 20 10 CDCDRO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCN2C)c(O)c1 ZINC000877031118 1165961310 /nfs/dbraw/zinc/96/13/10/1165961310.db2.gz NEGRPOAVLVIZNS-AWEZNQCLSA-N 1 0 263.385 1.036 20 10 CDCDRO C[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877256536 1166005124 /nfs/dbraw/zinc/00/51/24/1166005124.db2.gz ZBWMRNHEGWNRKJ-NEPJUHHUSA-N 1 0 278.352 1.338 20 10 CDCDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccccc1O ZINC000877256002 1166005139 /nfs/dbraw/zinc/00/51/39/1166005139.db2.gz MEOUMXIBEFTPNY-MFKMUULPSA-N 1 0 262.353 1.958 20 10 CDCDRO CCOC1CC(O)(C[NH2+]Cc2c(C)cccc2O)C1 ZINC000877480382 1166046409 /nfs/dbraw/zinc/04/64/09/1166046409.db2.gz TUYNGUFBOBNMPS-UHFFFAOYSA-N 1 0 265.353 1.720 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000877590656 1166063104 /nfs/dbraw/zinc/06/31/04/1166063104.db2.gz CTYIVICLWRXWDX-UHFFFAOYSA-N 1 0 269.366 1.367 20 10 CDCDRO N[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCC1(F)F ZINC001206655295 1167172967 /nfs/dbraw/zinc/17/29/67/1167172967.db2.gz GQJKEJKZHGPVMA-NSHDSACASA-N 1 0 258.268 1.266 20 10 CDCDRO C[C@H](Cc1ccco1)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001258170234 1167429420 /nfs/dbraw/zinc/42/94/20/1167429420.db2.gz AOJSNSDIOKFCMC-BMIGLBTASA-N 1 0 277.320 1.945 20 10 CDCDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230677171 912371972 /nfs/dbraw/zinc/37/19/72/912371972.db2.gz DTBWTJTYRCTEDS-RDJZCZTQSA-N 1 0 290.407 1.774 20 10 CDCDRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)c1O ZINC001173747721 912783006 /nfs/dbraw/zinc/78/30/06/912783006.db2.gz CJVAADUFCVBSCH-UONOGXRCSA-N 1 0 287.367 1.961 20 10 CDCDRO CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C[NH3+])cc1 ZINC001175968941 913865262 /nfs/dbraw/zinc/86/52/62/913865262.db2.gz PYIYDNPSCAJBMA-UHFFFAOYSA-N 1 0 291.376 1.825 20 10 CDCDRO COc1ccc(C[N@@H+]2CCOC[C@H](C)C2)c(O)c1 ZINC000399478436 896550838 /nfs/dbraw/zinc/55/08/38/896550838.db2.gz DHTIIIXSOMGZKL-LLVKDONJSA-N 1 0 251.326 1.869 20 10 CDCDRO COc1cccc(CNC(=O)CCc2c[nH]cn2)c1O ZINC000280034112 897854278 /nfs/dbraw/zinc/85/42/78/897854278.db2.gz UZRHQIYVKDRESC-UHFFFAOYSA-N 1 0 275.308 1.373 20 10 CDCDRO COc1ccc(O)c(C[NH2+]Cc2c(C)cnn2C)c1 ZINC000394112761 898803120 /nfs/dbraw/zinc/80/31/20/898803120.db2.gz RTOOBWQTNMHBQF-UHFFFAOYSA-N 1 0 261.325 1.733 20 10 CDCDRO Cc1cccc(C[NH2+]CCCCS(C)(=O)=O)c1O ZINC000692801585 900203758 /nfs/dbraw/zinc/20/37/58/900203758.db2.gz APXYQIOBPSGPRR-UHFFFAOYSA-N 1 0 271.382 1.615 20 10 CDCDRO COc1cc(CN2C[C@H]3CC[C@]3([NH3+])C2)cc(O)c1O ZINC001235977191 914479007 /nfs/dbraw/zinc/47/90/07/914479007.db2.gz FVLGSQCPPYVBJZ-YGRLFVJLSA-N 1 0 264.325 1.030 20 10 CDCDRO COC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097889 900983037 /nfs/dbraw/zinc/98/30/37/900983037.db2.gz UMMYZSOJDDFNMC-CYBMUJFWSA-N 1 0 265.357 1.711 20 10 CDCDRO CCC(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000092973341 904507835 /nfs/dbraw/zinc/50/78/35/904507835.db2.gz JRYFLCIPKPXOHO-UHFFFAOYSA-N 1 0 262.353 1.755 20 10 CDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000840825604 906401598 /nfs/dbraw/zinc/40/15/98/906401598.db2.gz YAGWUWOGRSEZBI-BYCMXARLSA-N 1 0 264.369 1.817 20 10 CDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C)cc1 ZINC000305115043 906714821 /nfs/dbraw/zinc/71/48/21/906714821.db2.gz HOWWSFCEDZKQQC-CZUORRHYSA-N 1 0 279.428 1.716 20 10 CDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000840957128 906759561 /nfs/dbraw/zinc/75/95/61/906759561.db2.gz FOGQKNVCHIYGOO-GFCCVEGCSA-N 1 0 262.353 1.611 20 10 CDCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)S(C)(=O)=O ZINC000697567085 908782673 /nfs/dbraw/zinc/78/26/73/908782673.db2.gz HJOIJCCCDUEDBA-ONGXEEELSA-N 1 0 269.366 1.402 20 10 CDCDRO C[NH2+][C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229104642 912065654 /nfs/dbraw/zinc/06/56/54/912065654.db2.gz HSQLPONXXBJWRF-LLVKDONJSA-N 1 0 270.760 1.848 20 10 CDCDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001178695642 915579791 /nfs/dbraw/zinc/57/97/91/915579791.db2.gz LJVJDETXUOFTHE-AWEZNQCLSA-N 1 0 274.364 1.761 20 10 CDCDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000828667212 936382750 /nfs/dbraw/zinc/38/27/50/936382750.db2.gz OCQUQBNZVACNQN-NHCYSSNCSA-N 1 0 278.352 1.576 20 10 CDCDRO COc1cc(Cl)cc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1O ZINC001206447447 916990296 /nfs/dbraw/zinc/99/02/96/916990296.db2.gz YCLOOARBCSMBPW-GHMZBOCLSA-N 1 0 288.750 1.925 20 10 CDCDRO CCOc1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c1 ZINC001206447801 916997927 /nfs/dbraw/zinc/99/79/27/916997927.db2.gz YVZWUWJPYXXKNN-NEPJUHHUSA-N 1 0 268.332 1.662 20 10 CDCDRO C[C@@H]([NH3+])CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000829003747 936398576 /nfs/dbraw/zinc/39/85/76/936398576.db2.gz PWRROVDAHJQGOL-TZMCWYRMSA-N 1 0 292.379 1.637 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC(C)(C)OC)cc1OC ZINC000182488564 917319531 /nfs/dbraw/zinc/31/95/31/917319531.db2.gz GYAXZDAMSFRKCQ-UHFFFAOYSA-N 1 0 269.341 1.924 20 10 CDCDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000183565642 917459107 /nfs/dbraw/zinc/45/91/07/917459107.db2.gz ISSFAFQMLVUMDI-QWRGUYRKSA-N 1 0 271.382 1.866 20 10 CDCDRO C[NH+]1CCC(C)(C(=O)NCc2ccccc2O)CC1 ZINC001181990021 917532530 /nfs/dbraw/zinc/53/25/30/917532530.db2.gz HPEBVYCEHDPMBI-UHFFFAOYSA-N 1 0 262.353 1.740 20 10 CDCDRO C[NH2+]CCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597620 936464200 /nfs/dbraw/zinc/46/42/00/936464200.db2.gz QWOGLCIEVWMKNZ-UHFFFAOYSA-N 1 0 276.380 1.887 20 10 CDCDRO Cc1cc(O)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc1Cl ZINC001206530611 918006315 /nfs/dbraw/zinc/00/63/15/918006315.db2.gz MXNRHZDPJAJVFT-GWCFXTLKSA-N 1 0 270.760 1.105 20 10 CDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000826999845 936470785 /nfs/dbraw/zinc/47/07/85/936470785.db2.gz CGUCFLZQXVEAQH-CYBMUJFWSA-N 1 0 276.336 1.727 20 10 CDCDRO COc1cccc(C[NH+]2CCN([C@H]3CCOC3)CC2)c1O ZINC000827119554 936490521 /nfs/dbraw/zinc/49/05/21/936490521.db2.gz NFOULAPZHNGIKT-AWEZNQCLSA-N 1 0 292.379 1.307 20 10 CDCDRO Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000831132638 936492897 /nfs/dbraw/zinc/49/28/97/936492897.db2.gz FRSHOQCMDHBMNG-OLZOCXBDSA-N 1 0 292.427 1.986 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2COCCO2)c1 ZINC000827140320 936493101 /nfs/dbraw/zinc/49/31/01/936493101.db2.gz JZTVAVCRBARORY-CQSZACIVSA-N 1 0 281.352 1.638 20 10 CDCDRO OCC1(O)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000827147526 936494272 /nfs/dbraw/zinc/49/42/72/936494272.db2.gz SPLSXSQXSVLKLN-UHFFFAOYSA-N 1 0 271.744 1.365 20 10 CDCDRO CC[N@H+](CCN(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC001138494886 936542383 /nfs/dbraw/zinc/54/23/83/936542383.db2.gz MOBPVFHLLQPALO-UHFFFAOYSA-N 1 0 291.439 1.907 20 10 CDCDRO COc1ccc(CNC(=O)CCC2CC[NH2+]CC2)c(O)c1 ZINC000832177845 936563637 /nfs/dbraw/zinc/56/36/37/936563637.db2.gz HUQCGAGWIQQZSK-UHFFFAOYSA-N 1 0 292.379 1.797 20 10 CDCDRO CCO[C@H](CC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279861 936571599 /nfs/dbraw/zinc/57/15/99/936571599.db2.gz MAAIJOIRBIZEOT-LSDHHAIUSA-N 1 0 293.411 1.684 20 10 CDCDRO CN1CCN(Cc2cc(Cl)ccc2O)CCC1=O ZINC000827358655 936589056 /nfs/dbraw/zinc/58/90/56/936589056.db2.gz DDDYRNOHHSQGDV-UHFFFAOYSA-N 1 0 268.744 1.710 20 10 CDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC001203620645 919677433 /nfs/dbraw/zinc/67/74/33/919677433.db2.gz GTGZKHWXXJWAIA-YGRLFVJLSA-N 1 0 251.326 1.604 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCC(=O)N2)cc1 ZINC001202900435 936601616 /nfs/dbraw/zinc/60/16/16/936601616.db2.gz SBOHPAMMKDPKFJ-ZDUSSCGKSA-N 1 0 261.369 1.463 20 10 CDCDRO Cc1cc(O)c(C[N@@H+](C)C2(CO)CCOCC2)cc1C ZINC000827908800 936613759 /nfs/dbraw/zinc/61/37/59/936613759.db2.gz QNFNZJGLVRVXBT-UHFFFAOYSA-N 1 0 279.380 1.982 20 10 CDCDRO CCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)COC1 ZINC000393961321 936673536 /nfs/dbraw/zinc/67/35/36/936673536.db2.gz SIKDMEBULLEONV-UHFFFAOYSA-N 1 0 265.309 1.637 20 10 CDCDRO Cc1ccc(C)c(C[NH+]2CC(N3CC(F)C3)C2)c1O ZINC001140178568 936684286 /nfs/dbraw/zinc/68/42/86/936684286.db2.gz OTZGEKFFQCQRKW-UHFFFAOYSA-N 1 0 264.344 1.847 20 10 CDCDRO C[C@H]1COCCN1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834566320 936693751 /nfs/dbraw/zinc/69/37/51/936693751.db2.gz JTMJIDFZIQWFNI-JSGCOSHPSA-N 1 0 276.380 1.690 20 10 CDCDRO C[NH+](C)C[C@H]1COCCN1Cc1c(O)cccc1Cl ZINC001140341841 936703469 /nfs/dbraw/zinc/70/34/69/936703469.db2.gz JQLUPHNMDKVPMP-NSHDSACASA-N 1 0 284.787 1.808 20 10 CDCDRO C[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC(=O)N1 ZINC000834907709 936709936 /nfs/dbraw/zinc/70/99/36/936709936.db2.gz AJOLTMVIWJCHJA-IAQYHMDHSA-N 1 0 260.337 1.638 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835071941 936716680 /nfs/dbraw/zinc/71/66/80/936716680.db2.gz AGLJCRDYRVIQOQ-KGLIPLIRSA-N 1 0 274.364 1.944 20 10 CDCDRO [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140584636 936728183 /nfs/dbraw/zinc/72/81/83/936728183.db2.gz ZYKKMCMTSAEQRY-ISVAXAHUSA-N 1 0 255.264 1.891 20 10 CDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140622858 936732017 /nfs/dbraw/zinc/73/20/17/936732017.db2.gz CBNXDUBQMKZWKM-CQSZACIVSA-N 1 0 262.353 1.753 20 10 CDCDRO Cc1ccc(O)c(C[NH+]2CC(N3CCOC(C)(C)C3)C2)c1 ZINC001140623534 936732019 /nfs/dbraw/zinc/73/20/19/936732019.db2.gz TUGZFWZQFQBIFI-UHFFFAOYSA-N 1 0 290.407 1.996 20 10 CDCDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC001140744505 936748838 /nfs/dbraw/zinc/74/88/38/936748838.db2.gz ZLUDYAFDTZGJHJ-HNNXBMFYSA-N 1 0 279.336 1.398 20 10 CDCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCC[C@H]1O ZINC001141156519 936821729 /nfs/dbraw/zinc/82/17/29/936821729.db2.gz MJHLNUHKCOWRNR-ZWNOBZJWSA-N 1 0 251.326 1.691 20 10 CDCDRO CC(=O)N1CCC2(C[NH+](Cc3cc(O)ccc3O)C2)C1 ZINC001141158723 936822019 /nfs/dbraw/zinc/82/20/19/936822019.db2.gz LBWFGAROFBNXFK-UHFFFAOYSA-N 1 0 276.336 1.152 20 10 CDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](O)[C@@H](F)CC3)ccc21 ZINC001141141374 936818678 /nfs/dbraw/zinc/81/86/78/936818678.db2.gz XTVXLWCGTLWOIM-DZGCQCFKSA-N 1 0 294.370 1.810 20 10 CDCDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000711686152 923812164 /nfs/dbraw/zinc/81/21/64/923812164.db2.gz BKHBEGIYGXOOIY-KCJUWKMLSA-N 1 0 289.784 1.568 20 10 CDCDRO [NH3+]C[C@@H]1CN(Cc2ccc(O)cc2O)CCC1(F)F ZINC001205762734 924838095 /nfs/dbraw/zinc/83/80/95/924838095.db2.gz NBSAFDQMEJXCTP-SNVBAGLBSA-N 1 0 272.295 1.514 20 10 CDCDRO CCOc1cccc(CN[C@@H](CC[NH3+])C(F)F)c1O ZINC000841075027 936973969 /nfs/dbraw/zinc/97/39/69/936973969.db2.gz UOMZNXHXBGYLQV-JTQLQIEISA-N 1 0 274.311 1.863 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N(C)CCC[NH3+])cc1 ZINC000841652741 937010036 /nfs/dbraw/zinc/01/00/36/937010036.db2.gz FWUPKCWCVPOVSL-UHFFFAOYSA-N 1 0 264.373 1.243 20 10 CDCDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841751666 937013894 /nfs/dbraw/zinc/01/38/94/937013894.db2.gz INCQCVHQERGKMJ-MRVPVSSYSA-N 1 0 292.788 1.245 20 10 CDCDRO CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH3+])C2)cc1F ZINC000841759497 937014028 /nfs/dbraw/zinc/01/40/28/937014028.db2.gz GPCRSSZLXNFTDF-NSHDSACASA-N 1 0 280.347 1.134 20 10 CDCDRO O=C(NCCCSc1nccs1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841857466 937018714 /nfs/dbraw/zinc/01/87/14/937018714.db2.gz ORDPWEFUDCXADY-MYJAWHEDSA-N 1 0 298.437 1.142 20 10 CDCDRO C[C@H](NC(=O)NC(C)(C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000841882837 937020607 /nfs/dbraw/zinc/02/06/07/937020607.db2.gz ORDTWUZAXHKGSU-NSHDSACASA-N 1 0 278.400 1.850 20 10 CDCDRO C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(N(C)C)cc1 ZINC000841881717 937020716 /nfs/dbraw/zinc/02/07/16/937020716.db2.gz CNUXNOAJYXLUBP-XHDPSFHLSA-N 1 0 290.411 1.850 20 10 CDCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)cc1C ZINC000841823621 937016462 /nfs/dbraw/zinc/01/64/62/937016462.db2.gz DRFNEOXFNMFMFC-ZDUSSCGKSA-N 1 0 278.400 1.598 20 10 CDCDRO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000841925207 937023117 /nfs/dbraw/zinc/02/31/17/937023117.db2.gz BSBQQRZRZKMZOI-LBPRGKRZSA-N 1 0 277.368 1.533 20 10 CDCDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000378749816 925776791 /nfs/dbraw/zinc/77/67/91/925776791.db2.gz JOAVMOXKVASRRD-AWEZNQCLSA-N 1 0 265.309 1.636 20 10 CDCDRO CCN(CC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784662 937079620 /nfs/dbraw/zinc/07/96/20/937079620.db2.gz KJODMXFIFQIHKV-CQSZACIVSA-N 1 0 278.400 1.804 20 10 CDCDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000842913304 937091706 /nfs/dbraw/zinc/09/17/06/937091706.db2.gz ZEMAVTXOHHCWRO-MPKXVKKWSA-N 1 0 251.326 1.765 20 10 CDCDRO CCN(CC)c1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1F ZINC000843065447 937109250 /nfs/dbraw/zinc/10/92/50/937109250.db2.gz FKORBILVJKATFU-AWEZNQCLSA-N 1 0 295.402 1.831 20 10 CDCDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406388 927426725 /nfs/dbraw/zinc/42/67/25/927426725.db2.gz FNNCVGFUGYRFKW-CXAGYDPISA-N 1 0 290.407 1.915 20 10 CDCDRO CN1CCCc2cc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)ccc21 ZINC000852862544 927897472 /nfs/dbraw/zinc/89/74/72/927897472.db2.gz APHCHBZWDOGVSB-HDJSIYSDSA-N 1 0 273.380 1.423 20 10 CDCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000852899993 927913088 /nfs/dbraw/zinc/91/30/88/927913088.db2.gz FVDZHMNZKVUFNJ-FRRDWIJNSA-N 1 0 289.379 1.127 20 10 CDCDRO COc1cc(C[N@H+](C)C[C@@H]2COCCO2)c(O)cc1C ZINC000853557526 928045483 /nfs/dbraw/zinc/04/54/83/928045483.db2.gz LPOGDRWXBLGAFV-CYBMUJFWSA-N 1 0 281.352 1.556 20 10 CDCDRO CCc1nnc(C[NH2+]Cc2cccc(CC)c2O)[nH]1 ZINC000691439373 937217487 /nfs/dbraw/zinc/21/74/87/937217487.db2.gz YDKMMWAVJXYCLV-UHFFFAOYSA-N 1 0 260.341 1.925 20 10 CDCDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1O ZINC000776811614 928405397 /nfs/dbraw/zinc/40/53/97/928405397.db2.gz BGDXFKKIPGENAK-UKRRQHHQSA-N 1 0 281.352 1.302 20 10 CDCDRO Cc1ccc(O)c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000858283940 928829847 /nfs/dbraw/zinc/82/98/47/928829847.db2.gz AGQGOKQLUOHZLO-JSGCOSHPSA-N 1 0 291.395 1.983 20 10 CDCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000858325167 928840549 /nfs/dbraw/zinc/84/05/49/928840549.db2.gz OCFGCLUWBBYOPQ-SNVBAGLBSA-N 1 0 252.314 1.199 20 10 CDCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCCN2C)S(C)(=O)=O ZINC000697590635 937283955 /nfs/dbraw/zinc/28/39/55/937283955.db2.gz YSXWIPXAOJEZHI-LBPRGKRZSA-N 1 0 296.436 1.592 20 10 CDCDRO Cc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c(O)c1 ZINC000858602426 928893969 /nfs/dbraw/zinc/89/39/69/928893969.db2.gz ZBQVFSRYWWYXPX-OLZOCXBDSA-N 1 0 264.369 1.418 20 10 CDCDRO CCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(C)ccc2O)C1 ZINC000858618464 928896641 /nfs/dbraw/zinc/89/66/41/928896641.db2.gz CSVAMDYSPNGZNB-AWEZNQCLSA-N 1 0 291.395 1.984 20 10 CDCDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc(N)cc1 ZINC000861641263 929316874 /nfs/dbraw/zinc/31/68/74/929316874.db2.gz QOJMGJYNPJNPFS-OAHLLOKOSA-N 1 0 290.411 1.451 20 10 CDCDRO CN(C)c1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1F ZINC000862426793 929414706 /nfs/dbraw/zinc/41/47/06/929414706.db2.gz OQFLOQPUCHJCKK-HNNXBMFYSA-N 1 0 282.359 1.475 20 10 CDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1 ZINC000862428140 929415184 /nfs/dbraw/zinc/41/51/84/929415184.db2.gz LQIUCTJIIYDBQB-CYBMUJFWSA-N 1 0 292.379 1.844 20 10 CDCDRO CSCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849966 929908064 /nfs/dbraw/zinc/90/80/64/929908064.db2.gz YEGOLSDJOXZILK-UHFFFAOYSA-N 1 0 293.436 1.418 20 10 CDCDRO Cc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)ccc1N(C)C ZINC000815092799 929934732 /nfs/dbraw/zinc/93/47/32/929934732.db2.gz RXKOCMCKZZOOHZ-MRXNPFEDSA-N 1 0 289.423 1.577 20 10 CDCDRO COc1cccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000883269288 930173109 /nfs/dbraw/zinc/17/31/09/930173109.db2.gz FIQWZFZVSUTYHB-CYBMUJFWSA-N 1 0 291.347 1.935 20 10 CDCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000132621501 930253722 /nfs/dbraw/zinc/25/37/22/930253722.db2.gz SQSAXGSSPIDUBF-ZANVPECISA-N 1 0 270.760 1.594 20 10 CDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c1 ZINC000799950021 937401956 /nfs/dbraw/zinc/40/19/56/937401956.db2.gz BLHPLFHVDLLBDK-ZDUSSCGKSA-N 1 0 283.393 1.628 20 10 CDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000817415404 930528881 /nfs/dbraw/zinc/52/88/81/930528881.db2.gz SELLJZVLICLBHD-SNVBAGLBSA-N 1 0 286.734 1.895 20 10 CDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000817418632 930531180 /nfs/dbraw/zinc/53/11/80/930531180.db2.gz ACARHVMVBBZFNS-GFCCVEGCSA-N 1 0 273.340 1.182 20 10 CDCDRO CCOc1cccc(C[NH2+]CCC(=O)NC(C)C)c1O ZINC000134491870 930563714 /nfs/dbraw/zinc/56/37/14/930563714.db2.gz DMTAPRVRMWLVHU-UHFFFAOYSA-N 1 0 280.368 1.795 20 10 CDCDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCc1ccc(N)cc1 ZINC000817878004 930618052 /nfs/dbraw/zinc/61/80/52/930618052.db2.gz LJAYXHSWDVXFML-HNNXBMFYSA-N 1 0 290.411 1.547 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000817946013 930641222 /nfs/dbraw/zinc/64/12/22/930641222.db2.gz PXYFITNLIQCGTC-VXGBXAGGSA-N 1 0 292.379 1.829 20 10 CDCDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)c(O)c1 ZINC000818000425 930653857 /nfs/dbraw/zinc/65/38/57/930653857.db2.gz QOCQZGKBGZNIML-ZDUSSCGKSA-N 1 0 264.325 1.144 20 10 CDCDRO CC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccccc1O ZINC000817982540 930657887 /nfs/dbraw/zinc/65/78/87/930657887.db2.gz DZMQYRSDBGJOEE-WCQYABFASA-N 1 0 250.342 1.421 20 10 CDCDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNCCO2)c2c1c(F)ccc2O ZINC000817984166 930658411 /nfs/dbraw/zinc/65/84/11/930658411.db2.gz VQYLDTYLKMEVSN-CKYFFXLPSA-N 1 0 280.343 1.658 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000817983135 930658573 /nfs/dbraw/zinc/65/85/73/930658573.db2.gz YSUYMGJJQROBHO-LOWVWBTDSA-N 1 0 292.379 1.957 20 10 CDCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)C[NH3+])C2)cc1 ZINC000818613591 930727361 /nfs/dbraw/zinc/72/73/61/930727361.db2.gz UMADWTCFPOJPLW-OLZOCXBDSA-N 1 0 291.395 1.233 20 10 CDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](O)[C@@H](O)CC2)cc1C ZINC000886257499 930842337 /nfs/dbraw/zinc/84/23/37/930842337.db2.gz BOQPPXNMTXIGNV-QKDCVEJESA-N 1 0 279.380 1.758 20 10 CDCDRO CN(C)c1ccc(C[NH2+]CCN2CCNC2=O)cc1F ZINC000886323885 930860527 /nfs/dbraw/zinc/86/05/27/930860527.db2.gz OUIIZOCVTDWMOU-UHFFFAOYSA-N 1 0 280.347 1.007 20 10 CDCDRO C[C@@H](NC[C@@H](O)C[NH+](C)C)c1c(O)cccc1F ZINC000886524335 930901297 /nfs/dbraw/zinc/90/12/97/930901297.db2.gz ISLXPONXEYVKGQ-NXEZZACHSA-N 1 0 256.321 1.104 20 10 CDCDRO [NH2+]=C(NCc1cc(Cl)ccc1O)NCC(F)F ZINC000887363287 931073190 /nfs/dbraw/zinc/07/31/90/931073190.db2.gz RJQPROTZQSHTJV-UHFFFAOYSA-N 1 0 263.675 1.925 20 10 CDCDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000828666217 931328325 /nfs/dbraw/zinc/32/83/25/931328325.db2.gz BWCSXIAAENVEPG-RNCFNFMXSA-N 1 0 278.352 1.576 20 10 CDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)[N@H+]1CCO ZINC000824926138 931486621 /nfs/dbraw/zinc/48/66/21/931486621.db2.gz KHYUKCIEBPUKMD-GASCZTMLSA-N 1 0 291.439 1.640 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCOCCO)cc1Cl ZINC000825049224 931489755 /nfs/dbraw/zinc/48/97/55/931489755.db2.gz DEAIVRSSLCHGLB-UHFFFAOYSA-N 1 0 259.733 1.453 20 10 CDCDRO CCOCc1cc(C[NH2+][C@H](C)CC(=O)NC)ccc1OC ZINC000825068852 931490309 /nfs/dbraw/zinc/49/03/09/931490309.db2.gz YYAJEAPMWPZJJD-GFCCVEGCSA-N 1 0 294.395 1.846 20 10 CDCDRO Cc1cc(O)c(C[NH2+]CCNC(=O)C2CC2)cc1Cl ZINC000825058696 931490489 /nfs/dbraw/zinc/49/04/89/931490489.db2.gz JGQYZAHCYAATBD-UHFFFAOYSA-N 1 0 282.771 1.970 20 10 CDCDRO CCOc1cccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1O ZINC000825311485 931502318 /nfs/dbraw/zinc/50/23/18/931502318.db2.gz KGMQAXLOPYQDTC-WCQYABFASA-N 1 0 265.353 1.994 20 10 CDCDRO CC[NH2+]CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844173418 931553586 /nfs/dbraw/zinc/55/35/86/931553586.db2.gz AOIZUDAQWUIUPX-UHFFFAOYSA-N 1 0 293.436 1.466 20 10 CDCDRO COc1ccc(CN2CC3(C2)CC[N@H+](C)C3)c(O)c1 ZINC001275275797 931720768 /nfs/dbraw/zinc/72/07/68/931720768.db2.gz QDGUYCPMJABLTA-UHFFFAOYSA-N 1 0 262.353 1.538 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000846076030 931967921 /nfs/dbraw/zinc/96/79/21/931967921.db2.gz CTLVKBVANUXGHS-AWEZNQCLSA-N 1 0 287.407 1.853 20 10 CDCDRO CCN1C[C@H](C[NH2+]Cc2cc(C)c(C)cc2O)CC1=O ZINC000846092320 931971038 /nfs/dbraw/zinc/97/10/38/931971038.db2.gz CDLSPFILDHOIEA-ZDUSSCGKSA-N 1 0 276.380 1.967 20 10 CDCDRO COc1cccc([C@@H](C)[NH2+]CCn2ccnc2)c1O ZINC000846138606 931985170 /nfs/dbraw/zinc/98/51/70/931985170.db2.gz WTGUEZXKSXHJGO-LLVKDONJSA-N 1 0 261.325 1.948 20 10 CDCDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccccc2O)CC1=O ZINC000846209718 931988269 /nfs/dbraw/zinc/98/82/69/931988269.db2.gz SMKXFTCBTJBBKZ-VXGBXAGGSA-N 1 0 262.353 1.911 20 10 CDCDRO COc1ccc(N(C)CCN(C)C(=O)CC(C)(C)[NH3+])cc1 ZINC000846696302 932114764 /nfs/dbraw/zinc/11/47/64/932114764.db2.gz FEARGYJDIDBCAY-UHFFFAOYSA-N 1 0 293.411 1.717 20 10 CDCDRO COc1c(O)c(CN2CC[C@@H]([NH3+])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000846702191 932116105 /nfs/dbraw/zinc/11/61/05/932116105.db2.gz GGRBYYJHYJWBIK-MWLCHTKSSA-N 1 0 295.339 1.621 20 10 CDCDRO O=C(C1=CC(=O)CS1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001118555759 937639563 /nfs/dbraw/zinc/63/95/63/937639563.db2.gz NVJAZIZFDAZPAG-SNVBAGLBSA-N 1 0 266.366 1.764 20 10 CDCDRO C[C@@H](NC(=O)C[NH2+]C(C)(C)C)c1ccccc1O ZINC001119048819 937691026 /nfs/dbraw/zinc/69/10/26/937691026.db2.gz CKBXURCKRRDXHL-SNVBAGLBSA-N 1 0 250.342 1.958 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCS(=O)(=O)CC2)c1 ZINC000036331539 933698824 /nfs/dbraw/zinc/69/88/24/933698824.db2.gz LEVUSXAYHHILLS-SNVBAGLBSA-N 1 0 299.392 1.629 20 10 CDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CF)C1)[C@H](O)CO2 ZINC001119331217 937710438 /nfs/dbraw/zinc/71/04/38/937710438.db2.gz MZLPWJHZRJHWOZ-TVQRCGJNSA-N 1 0 267.300 1.609 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]CCn1cccn1)OCO2 ZINC000042880429 934212944 /nfs/dbraw/zinc/21/29/44/934212944.db2.gz 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CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC001334754653 959332157 /nfs/dbraw/zinc/33/21/57/959332157.db2.gz QKDXVBBWSBNJAQ-AWEZNQCLSA-N 1 0 297.424 1.173 20 10 CDCDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(N)cc3)CC2)C1 ZINC001345160081 964610128 /nfs/dbraw/zinc/61/01/28/964610128.db2.gz QSJVWVMOICYDAD-QGZVFWFLSA-N 1 0 288.439 1.481 20 10 CDCDRO CN(C)c1ccc(CNC(=O)NCC2([NH3+])CC2)cc1F ZINC001353492842 968013999 /nfs/dbraw/zinc/01/39/99/968013999.db2.gz NUHBWPZCPXJKFK-UHFFFAOYSA-N 1 0 280.347 1.182 20 10 CDCDRO Cc1ccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)c(O)c1O ZINC001353787683 968234529 /nfs/dbraw/zinc/23/45/29/968234529.db2.gz HEUHSHUENHYUDA-GFCCVEGCSA-N 1 0 276.336 1.230 20 10 CDCDRO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000848427267 969085476 /nfs/dbraw/zinc/08/54/76/969085476.db2.gz UXXMMOAUHWJCQP-IUCAKERBSA-N 1 0 252.314 1.186 20 10 CDCDRO O=C(NCc1ccccc1O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000848426264 969085556 /nfs/dbraw/zinc/08/55/56/969085556.db2.gz BTOXSUUUROEHAL-DOMZBBRYSA-N 1 0 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CN(Cc1ccccc1O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289325943 369544236 /nfs/dbraw/zinc/54/42/36/369544236.db2.gz HABVBELQOACRMW-CQSZACIVSA-N 1 0 264.369 1.279 20 10 CDCDRO Nc1ccc(CC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000294811741 371093701 /nfs/dbraw/zinc/09/37/01/371093701.db2.gz QJOPAKOQYKGLSU-UHFFFAOYSA-N 1 0 261.369 1.589 20 10 CDCDRO C[S@](=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296573564 371442506 /nfs/dbraw/zinc/44/25/06/371442506.db2.gz VHCWIHLQSHVPQJ-VOJFVSQTSA-N 1 0 265.378 1.880 20 10 CDCDRO COCCN1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000297933688 372037454 /nfs/dbraw/zinc/03/74/54/372037454.db2.gz XTNNISBDQUVVSW-KBPBESRZSA-N 1 0 276.380 1.690 20 10 CDCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CCCC[NH3+] ZINC000574574937 335031021 /nfs/dbraw/zinc/03/10/21/335031021.db2.gz XHAYKOYQDGFAJR-UHFFFAOYSA-N 1 0 277.368 1.607 20 10 CDCDRO CC(C)COC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000121144644 390880849 /nfs/dbraw/zinc/88/08/49/390880849.db2.gz ASWLYEGEROAPGM-AWEZNQCLSA-N 1 0 267.369 1.858 20 10 CDCDRO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)n1-c1ccccn1 ZINC000178568340 391188078 /nfs/dbraw/zinc/18/80/78/391188078.db2.gz AOWRWRDTGKEYDI-CQSZACIVSA-N 1 0 298.390 1.910 20 10 CDCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000183374656 391263300 /nfs/dbraw/zinc/26/33/00/391263300.db2.gz NSOCVCBWXRFKIO-SNVBAGLBSA-N 1 0 294.351 1.107 20 10 CDCDRO CO[C@@H](C)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000285276185 391714433 /nfs/dbraw/zinc/71/44/33/391714433.db2.gz ZFVRGDILISWKQV-VIFPVBQESA-N 1 0 253.298 1.588 20 10 CDCDRO Cc1cccc(C[NH2+]CCC(=O)NC(C)C)c1O ZINC000135754169 391732500 /nfs/dbraw/zinc/73/25/00/391732500.db2.gz BOICPQBZZLBARB-UHFFFAOYSA-N 1 0 250.342 1.705 20 10 CDCDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000135719853 391732909 /nfs/dbraw/zinc/73/29/09/391732909.db2.gz HEVXUHLGHLOZGV-NSHDSACASA-N 1 0 250.342 1.958 20 10 CDCDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH+](C)C)c1 ZINC000273378289 292014117 /nfs/dbraw/zinc/01/41/17/292014117.db2.gz HRPUQLLCJXQRFP-NSHDSACASA-N 1 0 280.368 1.781 20 10 CDCDRO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295874847 286849681 /nfs/dbraw/zinc/84/96/81/286849681.db2.gz HFVONIMKGIZYBP-JSGCOSHPSA-N 1 0 276.380 1.690 20 10 CDCDRO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000019899918 170911170 /nfs/dbraw/zinc/91/11/70/170911170.db2.gz SVIHVIKTPBTPEO-NXEZZACHSA-N 1 0 255.339 1.230 20 10 CDCDRO CCCN(Cc1cc(OC)ccc1O)[C@H]1CC[NH2+]C1 ZINC000071314833 176121304 /nfs/dbraw/zinc/12/13/04/176121304.db2.gz OVAIDFZMECXCAT-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO COCC[C@](C)(O)C[NH2+]Cc1cccc(OC)c1O ZINC000172070753 261069450 /nfs/dbraw/zinc/06/94/50/261069450.db2.gz BFABKNQHRQWFBE-AWEZNQCLSA-N 1 0 269.341 1.278 20 10 CDCDRO CNC(=O)N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000271164966 262994163 /nfs/dbraw/zinc/99/41/63/262994163.db2.gz BHWLLMQDXBFFRX-UHFFFAOYSA-N 1 0 277.368 1.466 20 10 CDCDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC000189486712 264302561 /nfs/dbraw/zinc/30/25/61/264302561.db2.gz BEIAAEXYDFAWEM-NEPJUHHUSA-N 1 0 290.363 1.797 20 10 CDCDRO COCC[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000282169975 277552844 /nfs/dbraw/zinc/55/28/44/277552844.db2.gz JFOACFNHLPLAOU-GFCCVEGCSA-N 1 0 270.348 1.379 20 10 CDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(=O)[nH]n1 ZINC000286121370 278357557 /nfs/dbraw/zinc/35/75/57/278357557.db2.gz OCSBZRZBHGVFGI-SNVBAGLBSA-N 1 0 290.342 1.826 20 10 CDCDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1cc(F)ccc1O ZINC000530226675 328718350 /nfs/dbraw/zinc/71/83/50/328718350.db2.gz PTXZDPBLSVSORU-GXSJLCMTSA-N 1 0 254.305 1.170 20 10 CDCDRO CC(C)(O)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000274718629 328005716 /nfs/dbraw/zinc/00/57/16/328005716.db2.gz CXOLUJJOFWBUEF-UHFFFAOYSA-N 1 0 253.298 1.372 20 10 CDCDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(N(C)C)cc1 ZINC000278669423 327182175 /nfs/dbraw/zinc/18/21/75/327182175.db2.gz FTWBTJMUUANBBN-XEZPLFJOSA-N 1 0 278.396 1.943 20 10 CDCDRO C[NH+](C)C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000128063294 329604535 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ZINC000037801144 522165086 /nfs/dbraw/zinc/16/50/86/522165086.db2.gz PSMWNEOKIXLZHM-UHFFFAOYSA-N 1 0 275.396 1.711 20 10 CDCDRO CC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)OC ZINC000290808193 522194236 /nfs/dbraw/zinc/19/42/36/522194236.db2.gz FWEYGCVNFCXEDA-LLVKDONJSA-N 1 0 269.341 1.924 20 10 CDCDRO CN(C)c1ccc(C[NH2+]C2(CO)CCOCC2)cc1F ZINC000265273618 522206672 /nfs/dbraw/zinc/20/66/72/522206672.db2.gz VFHNFUCDPRJTFF-UHFFFAOYSA-N 1 0 282.359 1.523 20 10 CDCDRO COc1cc(O)c(C[NH2+]CC(C)(C)OCCO)cc1OC ZINC000290125812 522779697 /nfs/dbraw/zinc/77/96/97/522779697.db2.gz JFSFOZXJQWCQRU-UHFFFAOYSA-N 1 0 299.367 1.287 20 10 CDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000079435398 523502320 /nfs/dbraw/zinc/50/23/20/523502320.db2.gz FRDUIYJTAOJREI-VIFPVBQESA-N 1 0 297.326 1.975 20 10 CDCDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(O)c3O)[C@H]2C1 ZINC000279891818 523970467 /nfs/dbraw/zinc/97/04/67/523970467.db2.gz SUOFWVGCOWUDMQ-PWSUYJOCSA-N 1 0 276.336 1.264 20 10 CDCDRO COCCOCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000079384871 524001133 /nfs/dbraw/zinc/00/11/33/524001133.db2.gz KZDJJDYLIQIRPD-UHFFFAOYSA-N 1 0 294.395 1.480 20 10 CDCDRO CN1CCCc2cc(CNC(=O)/C=C/C[NH+](C)C)ccc21 ZINC000265664846 524034951 /nfs/dbraw/zinc/03/49/51/524034951.db2.gz RRICFFSBLBUTNV-FNORWQNLSA-N 1 0 287.407 1.803 20 10 CDCDRO Cc1cccc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000280987083 524432147 /nfs/dbraw/zinc/43/21/47/524432147.db2.gz WQVIZSBCUOCAJM-UONOGXRCSA-N 1 0 265.353 1.435 20 10 CDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000281010300 524751597 /nfs/dbraw/zinc/75/15/97/524751597.db2.gz YMEILJIZRUDXHW-AAEUAGOBSA-N 1 0 281.352 1.135 20 10 CDCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1cc(F)ccc1O ZINC000094617636 525454787 /nfs/dbraw/zinc/45/47/87/525454787.db2.gz XEYJUSAXXCSQPU-MRVPVSSYSA-N 1 0 261.318 1.227 20 10 CDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217806173 527477998 /nfs/dbraw/zinc/47/79/98/527477998.db2.gz OKOZGXCUJNMHTE-CABCVRRESA-N 1 0 273.380 1.554 20 10 CDCDRO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000774482024 575208010 /nfs/dbraw/zinc/20/80/10/575208010.db2.gz DJSPVQNEWMPDKU-WDEREUQCSA-N 1 0 292.383 1.247 20 10 CDCDRO Cc1cc(O)c(C[NH+]2CCC(OCCO)CC2)cc1C ZINC000769538078 575357980 /nfs/dbraw/zinc/35/79/80/575357980.db2.gz RBWRXEIFTHEOSP-UHFFFAOYSA-N 1 0 279.380 1.982 20 10 CDCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)c1O ZINC000765797244 576056646 /nfs/dbraw/zinc/05/66/46/576056646.db2.gz RBBWRVFJLFEVNB-STQMWFEESA-N 1 0 292.379 1.795 20 10 CDCDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@H]1CCCO1 ZINC000768441723 576283250 /nfs/dbraw/zinc/28/32/50/576283250.db2.gz GYOTXGOUFBNGBZ-IUODEOHRSA-N 1 0 293.363 1.819 20 10 CDCDRO C[NH+](C)C[C@H]1CCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768448667 576284712 /nfs/dbraw/zinc/28/47/12/576284712.db2.gz WDCNPTTUZIFLJZ-IAQYHMDHSA-N 1 0 292.379 1.202 20 10 CDCDRO CCN(C)c1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000741753080 576570605 /nfs/dbraw/zinc/57/06/05/576570605.db2.gz LYYKJDQNCKTJHS-UHFFFAOYSA-N 1 0 275.396 1.840 20 10 CDCDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCOC2)c(O)c1 ZINC000754839870 576918511 /nfs/dbraw/zinc/91/85/11/576918511.db2.gz HSYCIXPKBZMAFI-AWEZNQCLSA-N 1 0 267.325 1.032 20 10 CDCDRO COc1cccc(C[NH2+]CCCNc2ncccn2)c1O ZINC000751506297 577046390 /nfs/dbraw/zinc/04/63/90/577046390.db2.gz NOHJHLWKHUYOFH-UHFFFAOYSA-N 1 0 288.351 1.783 20 10 CDCDRO O=C(N[C@H]1CCC[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000892016037 617410794 /nfs/dbraw/zinc/41/07/94/617410794.db2.gz SRJOQOZYILUZAG-NSHDSACASA-N 1 0 261.325 1.169 20 10 CDCDRO CCC[N@H+](CCO)Cc1ccc(OC)c(OC)c1O ZINC000891484058 617435903 /nfs/dbraw/zinc/43/59/03/617435903.db2.gz AZBQENKNUJYDGT-UHFFFAOYSA-N 1 0 269.341 1.614 20 10 CDCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000892093071 617474383 /nfs/dbraw/zinc/47/43/83/617474383.db2.gz MMJDBUMDURXAJK-GXFFZTMASA-N 1 0 275.352 1.415 20 10 CDCDRO CC[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccccc1O ZINC000892143887 617505668 /nfs/dbraw/zinc/50/56/68/617505668.db2.gz GZQPGOIXDBRJFW-NXEZZACHSA-N 1 0 251.330 1.490 20 10 CDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000840940595 617640790 /nfs/dbraw/zinc/64/07/90/617640790.db2.gz ADZUNDWIQIOHFL-CVEARBPZSA-N 1 0 292.423 1.796 20 10 CDCDRO O=C(NCCC[NH2+]C1CC1)N1Cc2cccc(O)c2C1 ZINC000891967646 617902485 /nfs/dbraw/zinc/90/24/85/617902485.db2.gz HDYADXWZGWJCDP-UHFFFAOYSA-N 1 0 275.352 1.560 20 10 CDCDRO COc1cc(C)cc(C[NH2+]CCC[S@](C)=O)c1O ZINC000894284240 618469709 /nfs/dbraw/zinc/46/97/09/618469709.db2.gz KWRSPBRLLXDHSY-SFHVURJKSA-N 1 0 271.382 1.567 20 10 CDCDRO Cn1nncc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058180 618691738 /nfs/dbraw/zinc/69/17/38/618691738.db2.gz NPUNSQXQIDLJOC-UHFFFAOYSA-N 1 0 257.341 1.227 20 10 CDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000894497616 618918100 /nfs/dbraw/zinc/91/81/00/618918100.db2.gz NDUUCJSCLHQEPR-DGCLKSJQSA-N 1 0 265.353 1.912 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000894495092 618921483 /nfs/dbraw/zinc/92/14/83/618921483.db2.gz SBJLOWUTYHQVAJ-STQMWFEESA-N 1 0 265.353 1.958 20 10 CDCDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000894495087 618922019 /nfs/dbraw/zinc/92/20/19/618922019.db2.gz SBJLOWUTYHQVAJ-CHWSQXEVSA-N 1 0 265.353 1.958 20 10 CDCDRO COc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1 ZINC000895576824 619734347 /nfs/dbraw/zinc/73/43/47/619734347.db2.gz SHXYNDLPMOFDAQ-OKILXGFUSA-N 1 0 290.363 1.311 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]2C1 ZINC000895577129 619734506 /nfs/dbraw/zinc/73/45/06/619734506.db2.gz XQQOYZAYEMMKMU-GASCZTMLSA-N 1 0 274.364 1.611 20 10 CDCDRO CC(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)cccc3O)C[C@@H]2C1 ZINC000895576883 619734774 /nfs/dbraw/zinc/73/47/74/619734774.db2.gz QMOWOJIQCZBORS-OKILXGFUSA-N 1 0 274.364 1.611 20 10 CDCDRO COc1ccc(C[NH2+]C2(C)COC2)c(O)c1OC ZINC000895752631 619827690 /nfs/dbraw/zinc/82/76/90/619827690.db2.gz CBBIOTQHPFUNEH-UHFFFAOYSA-N 1 0 253.298 1.288 20 10 CDCDRO COc1cc(Cl)cc(C[NH2+]CCN2CCNC2=O)c1O ZINC000895813308 619857183 /nfs/dbraw/zinc/85/71/83/619857183.db2.gz CCSYAGPEQZFJLQ-UHFFFAOYSA-N 1 0 299.758 1.169 20 10 CDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000896960117 620321339 /nfs/dbraw/zinc/32/13/39/620321339.db2.gz IFRXHDPEMZUGHT-LLVKDONJSA-N 1 0 279.336 1.786 20 10 CDCDRO CC[N@H+](CCC(=O)NC)Cc1cc(OC)ccc1O ZINC000897709665 621083286 /nfs/dbraw/zinc/08/32/86/621083286.db2.gz IVHCEPJSUPXFKB-UHFFFAOYSA-N 1 0 266.341 1.359 20 10 CDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(C)ccc1O ZINC000898544459 621787594 /nfs/dbraw/zinc/78/75/94/621787594.db2.gz BKPAZQHACLYIAO-CYBMUJFWSA-N 1 0 262.353 1.801 20 10 CDCDRO CCNC(=S)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899724015 622386117 /nfs/dbraw/zinc/38/61/17/622386117.db2.gz ISQLSPBDNPBFEY-CQSZACIVSA-N 1 0 294.468 1.839 20 10 CDCDRO C[C@@H](O)C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000905703276 626932156 /nfs/dbraw/zinc/93/21/56/626932156.db2.gz HKSAPIVTIRQPIZ-DOMZBBRYSA-N 1 0 265.401 1.326 20 10 CDCDRO COc1cccc(CN[C@H](CC[NH3+])C(F)(F)F)c1O ZINC000841090838 628706543 /nfs/dbraw/zinc/70/65/43/628706543.db2.gz NLPZSQNRRHLCIB-SNVBAGLBSA-N 1 0 278.274 1.770 20 10 CDCDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910948822 629114176 /nfs/dbraw/zinc/11/41/76/629114176.db2.gz AZECCPFQPIYPNL-JTQLQIEISA-N 1 0 280.368 1.881 20 10 CDCDRO [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCO ZINC000032049972 631494538 /nfs/dbraw/zinc/49/45/38/631494538.db2.gz DMTABTHMCJXLPO-UHFFFAOYSA-N 1 0 280.549 1.890 20 10 CDCDRO COc1ccc(C[NH+]2CCN(CCF)CC2)c(O)c1 ZINC000402757152 1158789127 /nfs/dbraw/zinc/78/91/27/1158789127.db2.gz FXAHFDBHQHKXES-UHFFFAOYSA-N 1 0 268.332 1.488 20 10 CDCDRO CC[C@H]1C[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)CCO1 ZINC001170176921 1162292721 /nfs/dbraw/zinc/29/27/21/1162292721.db2.gz CXVDZQZEJDZTKU-RYUDHWBXSA-N 1 0 279.336 1.828 20 10 CDCDRO COc1ccc(CNC(=O)NCC[N@H+](C)C2CC2)c(O)c1 ZINC000792983060 1162383967 /nfs/dbraw/zinc/38/39/67/1162383967.db2.gz BMRCJIMERAGOCU-UHFFFAOYSA-N 1 0 293.367 1.294 20 10 CDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N(C)OC)c1 ZINC000808744000 1162908430 /nfs/dbraw/zinc/90/84/30/1162908430.db2.gz SYZUUBSLGVRVDS-SNVBAGLBSA-N 1 0 282.340 1.461 20 10 CDCDRO CC1([NH3+])CN(Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001204985142 1160251612 /nfs/dbraw/zinc/25/16/12/1160251612.db2.gz FHQCSUMXAOPDSG-UHFFFAOYSA-N 1 0 295.814 1.710 20 10 CDCDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1)OCO2 ZINC000230667401 1161045314 /nfs/dbraw/zinc/04/53/14/1161045314.db2.gz ATGKNDLAMUYFSB-ZYHUDNBSSA-N 1 0 279.336 1.762 20 10 CDCDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000790937163 1162176457 /nfs/dbraw/zinc/17/64/57/1162176457.db2.gz GVRUNDLQTSSGNT-CYBMUJFWSA-N 1 0 265.353 1.994 20 10 CDCDRO CS[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1[NH+](C)C ZINC000790903808 1162176529 /nfs/dbraw/zinc/17/65/29/1162176529.db2.gz BGNLPCJZKAPMEX-ZYHUDNBSSA-N 1 0 296.392 1.215 20 10 CDCDRO Cc1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000870969635 1165243566 /nfs/dbraw/zinc/24/35/66/1165243566.db2.gz GCYDUFCUMQGDFP-HDJSIYSDSA-N 1 0 298.390 1.956 20 10 CDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1Cn1cccn1 ZINC000873140673 1165515986 /nfs/dbraw/zinc/51/59/86/1165515986.db2.gz SDUNKUQAAFYUMH-SHTZXODSSA-N 1 0 287.363 1.553 20 10 CDCDRO CC[NH+](CC)C[C@@H](O)CNc1ccccc1OC ZINC000037874574 1165805122 /nfs/dbraw/zinc/80/51/22/1165805122.db2.gz GYWVZMGHJGSEAN-LBPRGKRZSA-N 1 0 252.358 1.810 20 10 CDCDRO C[N@H+](Cc1ccccc1O)CC(C)(C)N1CCOCC1 ZINC000876615349 1165881887 /nfs/dbraw/zinc/88/18/87/1165881887.db2.gz BOPAHLDMKHKBNL-UHFFFAOYSA-N 1 0 278.396 1.935 20 10 CDCDRO Cc1cccc(O)c1C[NH+]1CCN(C[C@H](C)O)CC1 ZINC000876686684 1165895157 /nfs/dbraw/zinc/89/51/57/1165895157.db2.gz FWHGCNKIVUHINA-ZDUSSCGKSA-N 1 0 264.369 1.199 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]Cc1nnc2n1CCC2 ZINC000876922171 1165940597 /nfs/dbraw/zinc/94/05/97/1165940597.db2.gz XWXUJCGQFZPXRQ-UHFFFAOYSA-N 1 0 258.325 1.528 20 10 CDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CN(C)CCN1C ZINC000877031757 1165962065 /nfs/dbraw/zinc/96/20/65/1165962065.db2.gz UXSAGRJPCHREEM-ZDUSSCGKSA-N 1 0 263.385 1.036 20 10 CDCDRO C[C@H](CNC(=O)c1cccc(O)c1O)C[NH+]1CCCC1 ZINC000126398939 1165989870 /nfs/dbraw/zinc/98/98/70/1165989870.db2.gz QJYSNVSAEXZYFE-LLVKDONJSA-N 1 0 278.352 1.560 20 10 CDCDRO CNC(=O)C1C[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826113979 1166368104 /nfs/dbraw/zinc/36/81/04/1166368104.db2.gz RXCYVMJNZDHOQB-UHFFFAOYSA-N 1 0 268.744 1.532 20 10 CDCDRO CC(C)NC(=O)NCC[NH2+][C@H](C)c1ccccc1O ZINC000879649180 1166392498 /nfs/dbraw/zinc/39/24/98/1166392498.db2.gz KZXUWNDHFDGWAN-LLVKDONJSA-N 1 0 265.357 1.750 20 10 CDCDRO CC1(C)CC[NH2+]CCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001576442768 1171423423 /nfs/dbraw/zinc/42/34/23/1171423423.db2.gz ICKGZCUWOZXQQF-UHFFFAOYSA-N 1 0 278.352 1.241 20 10 CDCDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001576472283 1171430048 /nfs/dbraw/zinc/43/00/48/1171430048.db2.gz GOIPGWQCJBDZBA-BPJJOFIESA-N 1 0 276.336 1.225 20 10 CDCDRO COc1cc(C)c(CN2CC[C@@H](F)[C@H]([NH3+])C2)c(O)c1 ZINC001579145349 1172105726 /nfs/dbraw/zinc/10/57/26/1172105726.db2.gz YNRLTPSIHKADSM-CHWSQXEVSA-N 1 0 268.332 1.580 20 10 CDCDRO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH2+]CC1 ZINC001580812877 1172548488 /nfs/dbraw/zinc/54/84/88/1172548488.db2.gz FKIUYHQDFOJHIH-UHFFFAOYSA-N 1 0 278.333 1.358 20 10 CDCDRO CCOc1cccc(CN(C)C[C@@H]2CCC[NH2+]2)c1O ZINC000233818738 1178211524 /nfs/dbraw/zinc/21/15/24/1178211524.db2.gz BSDHLQYSVVGMBA-ZDUSSCGKSA-N 1 0 264.369 1.975 20 10 CDCDRO Cc1nnc(C[NH2+][C@@H](C)c2cc(C)ccc2O)n1C ZINC000393196300 1187285100 /nfs/dbraw/zinc/28/51/00/1187285100.db2.gz AHWMDTKWUZPMHL-JTQLQIEISA-N 1 0 260.341 1.988 20 10 CDCDRO